SciTegic07110717202D 18 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 0.0000 2.7000 0.0000 F 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 4.9375 -1.3557 0.0000 O 0 0 3.9010 0.4457 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 16 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 7 9 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 16 18 1 0 M CHG 1 18 -1 M END > ZINC03779977 > 1 $$$$ SciTegic07110717202D 18 19 0 0 0 0 999 V2000 2.7557 -7.9984 0.0000 C 0 0 1.5625 -7.8709 0.0000 S 0 0 2 0 0 0 0.8558 -8.8407 0.0000 O 0 0 2.2696 -6.9014 0.0000 O 0 0 0.9548 -6.4986 0.0000 N 0 0 1.8372 -5.2877 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.3786 -3.8595 0.0000 S 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 10 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC00006765 > 2 $$$$ SciTegic07110717202D 20 21 0 0 0 0 999 V2000 4.9460 -3.4943 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 1.3786 -3.8595 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 0.2409 -3.4780 0.0000 C 0 0 0.9548 -6.4986 0.0000 C 0 0 1.5625 -7.8709 0.0000 C 0 0 0.8558 -8.8407 0.0000 O 0 0 2.7557 -7.9984 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 17 1 0 5 6 1 0 5 16 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M CHG 1 20 -1 M END > ZINC03814786 > 2 $$$$ SciTegic07110717202D 23 24 0 0 0 0 999 V2000 3.6384 -0.9011 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 2 0 0 0 2.5984 -2.7004 0.0000 C 0 0 2.5992 -0.3004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 1 0 0 0 -1.0389 3.6015 0.0000 C 0 0 1.0394 3.6005 0.0000 C 0 0 0.0005 4.2008 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -4.0378 0.7353 0.0000 C 0 0 -3.1418 1.5335 0.0000 O 0 0 -5.5052 1.0462 0.0000 N 0 0 -6.2544 -0.2533 0.0000 C 0 0 -5.2500 -1.3674 0.0000 N 0 0 -7.4478 -0.3795 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 16 1 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 1 1 12 14 1 0 12 15 1 0 16 17 2 0 17 22 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03814819 > 2 $$$$ SciTegic07110717202D 27 28 0 0 0 0 999 V2000 3.6375 -0.9049 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.3822 -3.8645 0.0000 C 0 0 0.2429 -3.4876 0.0000 O 0 0 1.8466 -5.2908 0.0000 N 0 0 3.3466 -5.2898 0.0000 C 0 0 3.8092 -3.8630 0.0000 N 0 0 4.2305 -6.4996 0.0000 N 0 0 5.7228 -6.3396 0.0000 C 0 3 6.2082 -5.2422 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1 0 0 0 -1.0389 3.6015 0.0000 C 0 0 1.0394 3.6005 0.0000 C 0 0 0.0005 4.2008 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.5988 -1.5004 0.0000 C 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 C 0 0 -3.6378 -0.9001 0.0000 C 0 0 -3.6383 -2.0999 0.0000 C 0 0 6.4307 -7.3085 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 12 1 0 3 8 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 27 2 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 23 1 0 15 16 2 0 15 22 1 0 16 17 1 0 16 18 1 0 18 19 1 1 18 20 1 0 18 21 1 0 23 24 1 1 23 25 1 0 23 26 1 0 M CHG 1 10 1 M END > ZINC04631275 > 2 $$$$ SciTegic07110717202D 19 20 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 C 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 C 0 0 0.0136 6.0070 0.0000 C 0 0 0.0195 7.2070 0.0000 O 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -1.0288 5.4125 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 18 1 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 19 1 0 M CHG 1 19 -1 M END > ZINC03812990 > 3 $$$$ SciTegic07110717202D 19 20 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 4.9375 -1.3557 0.0000 O 0 0 3.9010 0.4457 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 17 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03617632 > 3 $$$$ SciTegic07110717202D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 1.3063 4.9494 0.0000 O 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -5.2049 2.6909 0.0000 Cl 0 0 -7.5291 -1.3672 0.0000 O 0 0 -2.8526 -1.3510 0.0000 Cl 0 0 2.3421 3.1476 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 10 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 20 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 12 19 1 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 1 0 M CHG 1 20 -1 M END > ZINC02383046 > 3 $$$$ SciTegic07110717202D 21 22 0 0 0 0 999 V2000 1.5548 -3.6021 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 2 0 0 0 3.6331 -3.6060 0.0000 O 0 0 1.5568 -2.4023 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 1 0 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 3 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 11 12 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03791739 > 3 $$$$ SciTegic07110717202D 22 23 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 1.3063 4.9494 0.0000 O 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -5.2049 2.6909 0.0000 F 0 0 -7.5385 1.3328 0.0000 F 0 0 -5.1862 -2.7091 0.0000 F 0 0 -2.8526 -1.3510 0.0000 F 0 0 2.3421 3.1476 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 22 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 14 20 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 1 0 M CHG 1 22 -1 M END > ZINC03814788 > 3 $$$$ SciTegic07110717202D 22 23 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 -1.0351 3.6026 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 C 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 S 0 0 1 0 0 0 -6.2387 -0.8918 0.0000 O 0 0 -5.2024 -2.6932 0.0000 O 0 0 -6.2405 -2.0916 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 17 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 1 M END > ZINC00009201 > 3 $$$$ SciTegic07110717202D 23 24 0 0 0 0 999 V2000 1.5548 -3.6021 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 2 0 0 0 3.6331 -3.6060 0.0000 O 0 0 1.5568 -2.4023 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 S 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 4.9328 3.1622 0.0000 F 0 0 2.5805 7.2040 0.0000 F 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 N 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 21 22 2 0 21 23 1 0 M END > ZINC00598515 > 3 $$$$ SciTegic07110717202D 24 25 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 C 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 C 0 0 0.0136 6.0070 0.0000 C 0 0 -1.0288 5.4125 0.0000 O 0 0 0.0210 7.5078 0.0000 N 0 0 -1.2746 8.2655 0.0000 C 0 0 -1.2672 9.7663 0.0000 C 0 0 -0.2249 10.3608 0.0000 O 0 0 -2.5628 10.5239 0.0000 O 0 0 -2.5569 11.7239 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 24 1 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 M END > ZINC03814532 > 3 $$$$ SciTegic07110717202D 24 25 0 0 0 0 999 V2000 1.5548 -3.6021 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 2 0 0 0 3.6331 -3.6060 0.0000 O 0 0 1.5568 -2.4023 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 S 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 4.9328 3.1622 0.0000 Cl 0 0 2.5805 7.2040 0.0000 Cl 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 21 22 2 0 21 23 2 0 21 24 1 6 M END > ZINC00840871 > 3 $$$$ SciTegic07110717202D 27 28 0 0 0 0 999 V2000 7.5343 -3.1611 0.0000 C 0 0 6.4941 -3.7594 0.0000 C 0 0 5.1951 -3.0077 0.0000 O 0 0 3.8941 -3.7560 0.0000 C 0 0 3.8926 -4.9560 0.0000 O 0 0 2.5951 -3.0043 0.0000 C 0 0 2.5971 -1.5036 0.0000 C 0 0 3.8970 -0.7534 0.0000 C 0 0 5.1941 -1.5068 0.0000 C 0 0 6.4951 -0.7601 0.0000 C 0 0 6.4990 0.7399 0.0000 C 0 0 5.2019 1.4932 0.0000 C 0 0 3.9009 0.7466 0.0000 C 0 0 7.5398 1.3371 0.0000 F 0 0 1.2970 -0.7535 0.0000 C 0 0 -0.0016 -1.5044 0.0000 C 0 0 -1.3012 -0.7554 0.0000 C 0 0 -1.3023 0.7446 0.0000 C 0 0 -0.0038 1.4956 0.0000 C 0 0 1.2958 0.7466 0.0000 C 0 0 -2.6026 1.4941 0.0000 S 0 0 1 0 0 0 -3.6418 0.8939 0.0000 O 0 0 -2.6032 2.6941 0.0000 O 0 0 -3.6420 2.0938 0.0000 C 0 0 1.2941 -3.7526 0.0000 C 0 0 -0.0049 -3.0010 0.0000 C 0 0 -1.0451 -3.5993 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 6 25 1 0 7 8 1 0 7 15 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 2 0 21 24 1 6 25 26 1 0 26 27 1 0 M END > ZINC03814770 > 3 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.9445 2.9229 0.0000 C 0 0 -4.3928 2.5323 0.0000 C 0 0 -5.4329 3.1307 0.0000 C 0 0 -4.0022 1.0841 0.0000 C 0 0 -2.1800 4.2143 0.0000 C 0 0 -3.1656 5.3519 0.0000 C 0 0 -2.6646 6.7657 0.0000 C 0 0 -1.1896 7.0387 0.0000 C 0 0 -0.2157 5.8978 0.0000 C 0 0 -0.7168 4.4840 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 13 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814807 > 4 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 5.4276 -1.9361 0.0000 C 0 0 4.3895 -2.5380 0.0000 C 0 0 1 0 0 0 4.0035 -1.0885 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.9400 -2.9240 0.0000 C 0 0 2.3254 -3.9547 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 C 0 0 4.7397 0.2193 0.0000 C 0 0 6.2177 -0.0655 0.0000 C 0 0 7.1915 1.0753 0.0000 C 0 0 6.6905 2.4891 0.0000 C 0 0 5.2155 2.7621 0.0000 C 0 0 4.2416 1.6213 0.0000 C 0 0 4.3837 -3.7380 0.0000 C 0 0 2 1 1 6 2 5 1 0 2 3 1 0 2 23 1 0 3 4 2 0 3 17 1 0 4 5 1 0 4 7 1 0 5 6 2 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 2 0 13 16 1 1 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03814801 > 4 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 5.4276 -1.9361 0.0000 C 0 0 4.3895 -2.5380 0.0000 C 0 0 1 0 0 0 4.0035 -1.0885 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.9400 -2.9240 0.0000 C 0 0 2.3254 -3.9547 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 4.7397 0.2193 0.0000 C 0 0 6.2177 -0.0655 0.0000 C 0 0 7.1915 1.0753 0.0000 C 0 0 6.6905 2.4891 0.0000 C 0 0 5.2155 2.7621 0.0000 C 0 0 4.2416 1.6213 0.0000 C 0 0 7.6649 3.6306 0.0000 S 0 0 2 0 0 0 8.8450 3.4130 0.0000 O 0 0 7.2637 4.7616 0.0000 O 0 0 8.4436 4.5437 0.0000 C 0 0 4.3837 -3.7380 0.0000 C 0 0 2 1 1 6 2 5 1 0 2 3 1 0 2 23 1 0 3 4 2 0 3 13 1 0 4 5 1 0 4 7 1 0 5 6 2 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 M END > ZINC03814800 > 4 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 -3.5737 -3.3991 0.0000 C 0 0 -2.5225 -2.8202 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 O 0 0 2.4732 -1.3190 0.0000 C 0 0 2 0 0 0 1.1708 -2.0228 0.0000 C 0 0 1.1661 -3.2228 0.0000 C 0 0 3.7709 -2.0306 0.0000 C 0 0 5.0733 -1.2849 0.0000 C 0 0 6.1107 -1.8879 0.0000 O 0 0 5.0772 -0.0849 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 15 18 1 0 16 17 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC03775137 > 5 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 -3.5737 -3.3991 0.0000 C 0 0 -2.5225 -2.8202 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 2.4694 2.7388 0.0000 O 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 O 0 0 2.4732 -1.3190 0.0000 C 0 0 1 0 0 0 1.1708 -2.0228 0.0000 C 0 0 1.1661 -3.2228 0.0000 C 0 0 3.7709 -2.0306 0.0000 C 0 0 5.0733 -1.2849 0.0000 C 0 0 6.1107 -1.8879 0.0000 O 0 0 5.0772 -0.0849 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 19 1 0 17 18 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M CHG 1 22 -1 M END > ZINC03814789 > 5 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 -3.5737 -3.3991 0.0000 C 0 0 -2.5225 -2.8202 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 2.4694 2.7388 0.0000 O 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1 0 0 0 1.1708 -2.0228 0.0000 C 0 0 1.1661 -3.2228 0.0000 C 0 0 3.7709 -2.0306 0.0000 C 0 0 5.0733 -1.2849 0.0000 C 0 0 6.1107 -1.8879 0.0000 O 0 0 5.0772 -0.0849 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 19 1 0 17 18 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M CHG 1 22 -1 M END > ZINC03814790 > 5 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 -4.9211 3.7421 0.0000 C 0 0 -6.2185 2.9892 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -4.9144 0.7421 0.0000 C 0 0 -7.5209 3.7349 0.0000 C 0 0 2 0 0 0 -8.5578 3.1309 0.0000 C 0 0 -7.5273 5.2357 0.0000 C 0 0 -8.5686 5.8320 0.0000 O 0 0 -6.4904 5.8398 0.0000 O 0 5 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 1 6 17 19 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC03814517 > 6 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 C 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5233 -4.9031 0.0000 S 0 0 1 0 0 0 6.6890 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 M END > ZINC03814651 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.4388 4.6145 0.0000 F 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 1 0 4 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 13 2 0 12 14 2 0 12 15 1 6 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00022443 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 4.1955 0.2934 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.6115 -3.9772 0.0000 C 0 0 2.0333 -5.4186 0.0000 C 0 0 0.9937 -6.4998 0.0000 C 0 0 -0.4625 -6.1401 0.0000 C 0 0 -0.8791 -4.6991 0.0000 C 0 0 0.1606 -3.6178 0.0000 C 0 0 -1.5028 -7.2219 0.0000 S 0 0 1 0 0 0 -1.1703 -8.3750 0.0000 O 0 0 -2.6677 -6.9338 0.0000 O 0 0 -2.3349 -8.0865 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 M END > ZINC03814551 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 2 0 13 16 1 1 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC00007588 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 N 0 0 -3.9492 0.8772 0.0000 S 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00006596 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 O 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC00007455 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 6.1467 -1.8742 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5233 4.9032 0.0000 S 0 0 1 0 0 0 6.6890 5.1880 0.0000 O 0 0 4.6940 5.7706 0.0000 O 0 0 5.8596 6.0551 0.0000 N 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 1 M END > ZINC00006694 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 N 0 0 -0.1673 3.6256 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC00007002 > 7 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 F 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00006916 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC03814653 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 C 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 2.8156 -3.9752 0.0000 F 0 0 5.4389 -4.6144 0.0000 F 0 0 -2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 16 18 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC03814652 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 F 0 0 -6.1478 1.8630 0.0000 Cl 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00602158 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 F 0 0 -4.6965 4.3860 0.0000 Cl 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 23 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00602593 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 O 0 0 4.9530 1.9978 0.0000 C 0 0 6.1467 1.8743 0.0000 O 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.4389 -4.6144 0.0000 F 0 0 -2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC00008604 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 2 0 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 18 4 1 1 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 11 13 1 0 14 15 2 0 14 16 2 0 14 17 1 6 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > ZINC00006662 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 N 0 0 -0.1673 3.6256 0.0000 C 0 0 -1.3465 7.6566 0.0000 Cl 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 23 1 0 20 21 2 0 21 22 1 0 M END > ZINC00007001 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 N 0 0 1.2768 7.0174 0.0000 Cl 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03814766 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4447 1.8344 0.0000 C 0 0 -7.1502 2.8051 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 0 M END > ZINC00020207 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5233 4.9032 0.0000 S 0 0 2 0 0 0 6.6890 5.1880 0.0000 O 0 0 4.6940 5.7706 0.0000 O 0 0 5.8596 6.0551 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC00021008 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5233 4.9032 0.0000 S 0 0 1 0 0 0 6.6890 5.1880 0.0000 O 0 0 4.6940 5.7706 0.0000 O 0 0 5.8596 6.0551 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 14 1 0 5 6 2 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 M END > ZINC03814600 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 1.8365 3.7777 0.0000 Br 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 22 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 M END > ZINC03814715 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.4388 4.6145 0.0000 Cl 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 2 0 13 16 1 1 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03814570 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 6.1467 -1.8742 0.0000 Cl 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 4 17 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 2 0 13 16 1 1 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03814711 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 O 0 0 4.9530 1.9978 0.0000 C 0 0 6.1467 1.8743 0.0000 O 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.4389 -4.6144 0.0000 Cl 0 0 -2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC00581585 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 O 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.8211 4.6570 0.0000 C 0 0 -6.0149 4.7788 0.0000 O 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 2 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 2 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 M END > ZINC00021455 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC03814637 > 7 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.8437 -3.7801 0.0000 C 0 0 2.7390 -2.9810 0.0000 C 0 0 4.2067 -3.2906 0.0000 C 0 0 4.9546 -1.9903 0.0000 C 0 0 3.9492 -0.8772 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 4.2501 0.5931 0.0000 C 0 0 5.7093 0.9484 0.0000 C 0 0 6.1259 2.3894 0.0000 C 0 0 5.0862 3.4706 0.0000 C 0 0 3.6300 3.1109 0.0000 C 0 0 3.2134 1.6699 0.0000 C 0 0 5.5030 4.9124 0.0000 S 0 0 2 0 0 0 6.6678 5.2010 0.0000 O 0 0 4.6710 5.7772 0.0000 O 0 0 5.8357 6.0654 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 7 6 1 6 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC00022442 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 2 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -4.2501 -0.5904 0.0000 N 0 3 -5.3884 -0.9702 0.0000 O 0 0 -3.3523 -1.3867 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 22 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 2 0 22 24 1 0 M CHG 2 22 1 24 -1 M END > ZINC03814717 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8110 4.6641 0.0000 C 0 0 6.0044 4.7897 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 1 0 M END > ZINC00601201 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 2 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -4.2471 -0.5911 0.0000 C 0 0 -4.4856 -1.7671 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 9 23 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 1 23 24 3 0 M END > ZINC03814716 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4447 1.8344 0.0000 C 0 0 1 0 0 0 -7.1502 2.8051 0.0000 F 0 0 -6.9330 0.7383 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 6 22 24 1 0 M END > ZINC03814725 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 1 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8082 4.6654 0.0000 C 0 0 5.2945 5.7624 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 3 0 M END > ZINC00020206 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 2.0348 4.4260 0.0000 F 0 0 -1.3465 7.6566 0.0000 F 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 24 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC00009969 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 Cl 0 0 -6.4444 1.8313 0.0000 C 0 0 -7.6376 1.7040 0.0000 N 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 23 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 3 0 M END > ZINC03814618 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 Cl 0 0 -6.4447 1.8344 0.0000 C 0 0 -7.1502 2.8051 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 23 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 1 0 M END > ZINC03814617 > 7 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 F 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 2 0 21 24 1 6 M END > ZINC03814654 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8110 4.6641 0.0000 C 0 0 6.3036 4.8212 0.0000 C 0 0 7.4970 4.9468 0.0000 N 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 1 0 23 24 3 0 M END > ZINC03814684 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8082 4.6654 0.0000 C 0 0 1 0 0 0 6.0013 4.7934 0.0000 F 0 0 4.1010 5.6348 0.0000 F 0 0 5.2940 5.7626 0.0000 F 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 -2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 1 0 8 9 2 0 8 16 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 6 12 14 1 0 12 15 1 0 16 21 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 2 0 22 24 2 0 22 25 1 1 M END > ZINC03814693 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 4.6874 -4.3927 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 2.8156 3.9752 0.0000 F 0 0 5.5263 4.9023 0.0000 O 0 0 6.6925 5.1848 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 2 0 13 16 1 6 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 21 23 1 0 24 25 1 0 M END > ZINC03814567 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814580 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 6.7923 -5.9172 0.0000 C 0 0 6.3037 -4.8211 0.0000 S 0 0 4.8111 -4.6641 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5233 4.9032 0.0000 S 0 0 2 0 0 0 6.6890 5.1880 0.0000 O 0 0 4.6940 5.7706 0.0000 O 0 0 5.8596 6.0551 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 16 1 0 7 8 2 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 2 0 22 25 1 6 M END > ZINC03814581 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 4.1059 -5.6350 0.0000 C 0 0 4.8111 -4.6641 0.0000 C 0 0 6.0045 -4.7897 0.0000 O 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 20 1 0 7 8 1 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 13 15 1 0 16 17 2 0 16 18 2 0 16 19 1 6 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03814748 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814586 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 5.4264 -0.8951 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 1 0 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.8365 -3.7777 0.0000 O 0 0 4.2010 -3.2956 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5233 4.9032 0.0000 S 0 0 2 0 0 0 6.6890 5.1880 0.0000 O 0 0 4.6940 5.7706 0.0000 O 0 0 5.8596 6.0551 0.0000 C 0 0 5.6424 -2.9801 0.0000 C 0 0 2 1 1 6 2 7 1 0 2 3 1 0 2 25 1 0 3 4 2 0 3 15 1 0 4 5 1 0 4 8 1 0 5 6 2 0 5 7 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 2 0 21 24 1 6 M END > ZINC00838584 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 C 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5233 -4.9031 0.0000 S 0 0 1 0 0 0 6.6890 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 -2.5988 -1.5004 0.0000 C 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 F 0 0 -3.6378 -0.9001 0.0000 F 0 0 -3.6383 -2.0999 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814657 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.6375 -0.9049 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 2 0 22 25 1 6 M END > ZINC03814656 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8110 4.6641 0.0000 C 0 0 6.0044 4.7897 0.0000 O 0 0 1.8365 3.7777 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 24 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 1 0 M END > ZINC03814712 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 N 0 0 -0.1673 3.6256 0.0000 C 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC00602119 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 S 0 0 -6.4441 1.8282 0.0000 C 0 0 -7.0504 0.4553 0.0000 C 0 0 -7.5351 -0.6424 0.0000 N 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 3 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 M END > ZINC03814558 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8110 4.6641 0.0000 C 0 0 1 0 0 0 6.0044 4.7897 0.0000 F 0 0 4.1059 5.6350 0.0000 F 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 1 6 22 24 1 0 M END > ZINC00601195 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 3.6331 -3.6060 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -4.1898 -0.2984 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 25 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 2 0 21 24 1 6 M END > ZINC03814507 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 4.1955 0.2934 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1.6115 -3.9772 0.0000 C 0 0 2.0333 -5.4186 0.0000 C 0 0 0.9937 -6.4998 0.0000 C 0 0 -0.4625 -6.1401 0.0000 C 0 0 -0.8791 -4.6991 0.0000 C 0 0 0.1606 -3.6178 0.0000 C 0 0 -1.5028 -7.2219 0.0000 S 0 0 2 0 0 0 -1.1703 -8.3750 0.0000 O 0 0 -2.6677 -6.9338 0.0000 O 0 0 -2.3349 -8.0865 0.0000 C 0 0 6.4433 -1.8435 0.0000 C 0 0 7.6370 -1.7200 0.0000 N 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 24 25 3 0 M END > ZINC03814548 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 N 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.2568 0.5878 0.0000 C 0 0 -5.7171 0.9385 0.0000 C 0 0 -6.1382 2.3782 0.0000 C 0 0 -5.1020 3.4627 0.0000 C 0 0 -3.6446 3.1076 0.0000 C 0 0 -3.2235 1.6679 0.0000 C 0 0 -5.5233 4.9032 0.0000 S 0 0 2 0 0 0 -6.6891 5.1880 0.0000 O 0 0 -4.6941 5.7705 0.0000 O 0 0 -5.8597 6.0551 0.0000 N 0 0 -4.8082 -4.6653 0.0000 C 0 0 1 0 0 0 -4.1019 -5.6355 0.0000 F 0 0 -6.0015 -4.7923 0.0000 F 0 0 -5.2951 -5.7621 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814621 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.2768 7.0174 0.0000 Cl 0 0 -6.4447 1.8344 0.0000 C 0 0 1 0 0 0 -7.1502 2.8051 0.0000 F 0 0 -6.9330 0.7383 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 23 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 1 6 23 25 1 0 M END > ZINC03814616 > 7 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 2 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8082 4.6654 0.0000 C 0 0 5.2945 5.7624 0.0000 N 0 0 1.8365 3.7777 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 24 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 1 22 23 3 0 M END > ZINC03814713 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC03814625 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7537 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 2.6374 3.3926 0.0000 C 0 0 3.6713 4.4819 0.0000 C 0 0 5.1286 4.1268 0.0000 C 0 0 5.5498 2.6871 0.0000 C 0 0 4.5135 1.6026 0.0000 C 0 0 3.0562 1.9577 0.0000 C 0 0 7.0079 2.3318 0.0000 S 0 0 1 0 0 0 7.8375 3.1989 0.0000 O 0 0 7.3445 1.1800 0.0000 O 0 0 8.1737 2.0471 0.0000 N 0 0 -1.6362 6.4967 0.0000 C 0 0 1 0 0 0 -2.8295 6.3701 0.0000 F 0 0 -1.1495 7.5936 0.0000 F 0 0 -2.3427 7.4667 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC03814624 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7537 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 2.6374 3.3926 0.0000 C 0 0 3.6713 4.4819 0.0000 C 0 0 5.1286 4.1268 0.0000 C 0 0 5.5498 2.6871 0.0000 C 0 0 4.5135 1.6026 0.0000 C 0 0 3.0562 1.9577 0.0000 C 0 0 7.0079 2.3318 0.0000 S 0 0 2 0 0 0 7.8375 3.1989 0.0000 O 0 0 7.3445 1.1800 0.0000 O 0 0 8.1737 2.0471 0.0000 C 0 0 -1.6362 6.4967 0.0000 C 0 0 1 0 0 0 -2.8295 6.3701 0.0000 F 0 0 -1.1495 7.5936 0.0000 F 0 0 -2.3427 7.4667 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 1 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC03814623 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 C 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 N 0 0 3.2235 -1.6679 0.0000 C 0 0 7.3041 -2.6622 0.0000 Br 0 0 4.8082 4.6654 0.0000 C 0 0 1 0 0 0 4.1019 5.6355 0.0000 F 0 0 6.0014 4.7923 0.0000 F 0 0 5.2950 5.7622 0.0000 F 0 0 -2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 19 1 0 10 11 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 20 1 1 19 21 1 0 19 22 1 0 23 24 2 0 23 25 2 0 23 26 1 1 M END > ZINC03814622 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7537 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 2.6374 3.3926 0.0000 C 0 0 3.6713 4.4819 0.0000 C 0 0 5.1286 4.1268 0.0000 C 0 0 5.5498 2.6871 0.0000 C 0 0 4.5135 1.6026 0.0000 C 0 0 3.0562 1.9577 0.0000 C 0 0 7.0079 2.3318 0.0000 S 0 0 1 0 0 0 7.8375 3.1989 0.0000 O 0 0 7.3445 1.1800 0.0000 O 0 0 8.1737 2.0471 0.0000 N 0 0 -1.6362 6.4967 0.0000 C 0 0 1 0 0 0 -2.8295 6.3701 0.0000 F 0 0 -1.1495 7.5936 0.0000 F 0 0 -2.3427 7.4667 0.0000 F 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 26 1 0 5 6 1 0 5 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814594 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 N 0 0 -0.1673 3.6256 0.0000 C 0 0 -1.3465 7.6566 0.0000 Br 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 23 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 2 0 20 21 1 0 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC03814620 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 1 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8082 4.6654 0.0000 C 0 0 1 0 0 0 4.1019 5.6355 0.0000 F 0 0 6.0014 4.7923 0.0000 F 0 0 5.2950 5.7622 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC03814595 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 2 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4447 1.8344 0.0000 C 0 0 1 0 0 0 -7.1502 2.8051 0.0000 F 0 0 -6.9330 0.7383 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 24 25 1 6 24 26 1 0 M END > ZINC00601196 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -0.7537 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 N 0 0 2.6374 3.3926 0.0000 C 0 0 3.6713 4.4819 0.0000 C 0 0 5.1286 4.1268 0.0000 C 0 0 5.5498 2.6871 0.0000 C 0 0 4.5135 1.6026 0.0000 C 0 0 3.0562 1.9577 0.0000 C 0 0 7.0079 2.3318 0.0000 S 0 0 1 0 0 0 7.8375 3.1989 0.0000 O 0 0 7.3445 1.1800 0.0000 O 0 0 8.1737 2.0471 0.0000 N 0 0 -1.6362 6.4967 0.0000 C 0 0 2 0 0 0 -2.8295 6.3701 0.0000 F 0 0 -1.1495 7.5936 0.0000 F 0 0 -2.3427 7.4667 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 23 24 1 6 23 25 1 0 23 26 1 0 M END > ZINC00841383 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -7.1519 2.8006 0.0000 F 0 0 -6.9304 0.7342 0.0000 F 0 0 -7.6376 1.7034 0.0000 F 0 0 -1.6193 3.9803 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 12 1 0 8 9 1 0 9 10 2 0 9 17 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 6 13 15 1 0 13 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 2 0 23 25 2 0 23 26 1 6 M END > ZINC03814824 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -1.6193 3.9804 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 1.4846 7.2349 0.0000 S 0 0 1 0 0 0 1.1484 8.3869 0.0000 O 0 0 2.6504 6.9505 0.0000 O 0 0 2.3140 8.1022 0.0000 N 0 0 -6.4444 1.8313 0.0000 C 0 0 1 0 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 23 24 1 1 23 25 1 0 23 26 1 0 M END > ZINC02570895 > 7 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 N 0 0 4.2010 3.2957 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 5.5234 -4.9031 0.0000 S 0 0 1 0 0 0 6.6891 -5.1880 0.0000 O 0 0 4.6941 -5.7705 0.0000 O 0 0 5.8597 -6.0550 0.0000 N 0 0 4.8082 4.6654 0.0000 C 0 0 1 0 0 0 4.1019 5.6355 0.0000 F 0 0 6.0014 4.7923 0.0000 F 0 0 5.2950 5.7622 0.0000 F 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03814585 > 7 $$$$ SciTegic07110717202D 26 28 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 -1.2149 3.8587 0.0000 C 0 0 -0.7537 5.2860 0.0000 C 0 0 0.7