SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 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 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 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 O 0 0 -1.2999 2.2084 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 1 M END > ZINC03861213 > 1 $$$$ SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 -1.2999 2.2084 0.0000 S 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 6 M END > ZINC03815614 > 1 $$$$ SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 -1.2999 2.2084 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 6 M END > ZINC03833800 > 1 $$$$ SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 S 0 0 -1.2999 2.2084 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 1 M END > ZINC04134459 > 1 $$$$ SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 0.0282 0.3003 0.0000 F 0 0 -2.3239 0.1257 0.0000 F 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 1 M END > ZINC04134465 > 1 $$$$ SciTegic07110717372D 13 13 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 13 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 12 1 1 4 5 1 0 4 11 1 1 5 6 1 0 5 10 1 1 6 7 1 0 6 8 1 1 8 9 1 0 M END > ZINC04134461 > 1 $$$$ SciTegic07110717372D 14 14 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 3.5316 -3.6949 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 4 1 1 1 2 3 3 0 4 9 1 0 4 5 1 0 5 6 1 0 5 14 1 6 6 7 1 0 6 13 1 1 7 8 1 0 7 12 1 6 8 9 1 0 8 10 1 1 10 11 1 0 M END > ZINC04134448 > 1 $$$$ SciTegic07110717372D 14 14 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.4499 -4.5430 0.0000 N 0 3 1 2 1 0 3 1 1 1 2 14 1 0 3 8 1 0 3 4 1 0 4 5 1 0 4 13 1 6 5 6 1 0 5 12 1 1 6 7 1 0 6 11 1 6 7 8 1 0 7 9 1 1 9 10 1 0 M CHG 1 14 1 M END > ZINC04134453 > 1 $$$$ SciTegic07110717372D 14 14 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.2998 3.4084 0.0000 O 0 0 2.6000 1.4586 0.0000 N 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 14 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 13 1 1 4 5 1 0 4 12 1 6 5 6 1 0 5 11 1 1 6 7 1 0 6 8 1 6 8 9 2 0 8 10 1 0 M END > ZINC03833807 > 1 $$$$ SciTegic07110717372D 14 14 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.2998 3.4084 0.0000 O 0 0 2.6000 1.4586 0.0000 N 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 14 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 13 1 1 4 5 1 0 4 12 1 6 5 6 1 0 5 11 1 1 6 7 1 0 6 8 1 1 8 9 2 0 8 10 1 0 M END > ZINC04134464 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 2.5625 -0.0215 0.0000 O 0 0 -1.2626 2.2300 0.0000 C 0 0 0.0368 2.9810 0.0000 O 0 0 0.0371 4.4818 0.0000 P 0 0 -1.0021 3.8818 0.0000 O 0 0 -1.0022 5.0817 0.0000 O 0 0 1.3366 5.2327 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 6 1 0 1 2 1 0 2 3 1 0 2 15 1 1 3 4 1 0 3 14 1 6 4 5 1 0 4 8 1 1 5 6 1 0 6 7 1 6 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 M END > ZINC04642454 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 3.4131 -2.5873 0.0000 O 0 0 1.2626 -2.2300 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 15 1 6 7 8 1 0 7 14 1 1 8 9 1 0 8 13 1 6 9 10 1 0 9 11 1 1 11 12 1 0 M END > ZINC04134470 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 2.5625 0.0216 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 4.9657 -1.2110 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.3744 3.7074 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1.2628 -2.2303 0.0000 O 0 0 1 2 1 0 1 4 1 0 2 3 3 0 4 9 1 0 4 5 1 0 4 15 1 6 5 6 1 0 5 14 1 6 6 7 1 0 6 13 1 1 7 8 1 0 7 12 1 6 8 9 1 0 8 10 1 1 10 11 1 0 M END > ZINC04134449 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.2998 3.4084 0.0000 O 0 0 2.6000 1.4586 0.0000 N 0 0 3.8999 2.2087 0.0000 N 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 15 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 14 1 1 4 5 1 0 4 13 1 6 5 6 1 0 5 12 1 1 6 7 1 0 6 8 1 1 8 9 2 0 8 10 1 0 10 11 1 0 M END > ZINC04134456 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 N 0 0 2.6000 1.4586 0.0000 C 0 0 2.6001 0.2586 0.0000 O 0 0 3.8999 2.2087 0.0000 N 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 15 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 14 1 1 4 5 1 0 4 13 1 6 5 6 1 0 5 12 1 1 6 7 1 0 6 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 M END > ZINC03833811 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 O 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 5 3 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 15 1 6 7 8 1 0 7 14 1 1 8 9 1 0 8 13 1 6 9 10 1 0 9 11 1 1 11 12 1 0 M END > ZINC04134457 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.2998 3.4084 0.0000 O 0 0 2.6000 1.4586 0.0000 N 0 0 3.8999 2.2087 0.0000 N 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 15 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 14 1 1 4 5 1 0 4 13 1 6 5 6 1 0 5 12 1 1 6 7 1 0 6 8 1 6 8 9 2 0 8 10 1 0 10 11 1 0 M END > ZINC03833808 > 1 $$$$ SciTegic07110717372D 15 15 0 0 0 0 999 V2000 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 5 3 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 15 1 6 7 8 1 0 7 14 1 1 8 9 1 0 8 13 1 6 9 10 1 0 9 11 1 1 11 12 1 0 M END > ZINC04134466 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 N 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 6 4 1 1 6 11 1 0 6 7 1 0 7 8 1 0 7 16 1 6 8 9 1 0 8 15 1 1 9 10 1 0 9 14 1 6 10 11 1 0 10 12 1 1 12 13 1 0 M END > ZINC04134460 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 O 0 0 2.5235 -3.0440 0.0000 C 0 0 3.4131 -2.5873 0.0000 O 0 0 1.2626 -2.2300 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 1 0 7 16 1 6 8 9 1 0 8 15 1 1 9 10 1 0 9 14 1 6 10 11 1 0 10 12 1 1 12 13 1 0 M END > ZINC04134468 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 3.4131 -2.5873 0.0000 O 0 0 1.2626 -2.2300 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 1 0 7 16 1 6 8 9 1 0 8 15 1 1 9 10 1 0 9 14 1 6 10 11 1 0 10 12 1 1 12 13 1 0 M END > ZINC04134469 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 N 0 0 3.8999 2.2087 0.0000 N 0 0 4.9393 2.8085 0.0000 N 0 0 -1.3002 2.2087 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 16 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 15 1 1 4 5 1 0 4 14 1 6 5 6 1 0 5 13 1 1 6 7 1 0 6 8 1 0 6 12 1 1 8 9 1 0 9 10 2 0 10 11 2 0 M END > ZINC04134451 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 -1.2999 2.2084 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2.4499 -4.5430 0.0000 P 0 0 1.4414 -3.8926 0.0000 O 0 0 1.3823 -5.0910 0.0000 O 0 0 3.7108 -5.3571 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 1 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 M END > ZINC04642453 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 N 0 0 2.6000 1.4586 0.0000 C 0 0 2.6001 0.2586 0.0000 O 0 0 3.8999 2.2087 0.0000 C 0 0 4.9394 1.6092 0.0000 Br 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 16 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 15 1 1 4 5 1 0 4 14 1 6 5 6 1 0 5 13 1 1 6 7 1 0 6 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 M END > ZINC03833815 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 N 0 0 2.6000 1.4586 0.0000 C 0 0 2.6001 0.2586 0.0000 O 0 0 3.8999 2.2087 0.0000 C 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 5.2000 1.4589 0.0000 N 0 3 2 1 1 6 1 15 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 14 1 1 4 5 1 0 4 13 1 6 5 6 1 0 5 12 1 1 6 7 1 0 6 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 16 1 0 M CHG 1 16 1 M END > ZINC03833809 > 1 $$$$ SciTegic07110717372D 16 16 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 N 0 0 2.6000 1.4586 0.0000 C 0 0 2.6001 0.2586 0.0000 O 0 0 3.8999 2.2087 0.0000 C 0 0 4.9394 1.6092 0.0000 Cl 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 16 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 15 1 1 4 5 1 0 4 14 1 6 5 6 1 0 5 13 1 1 6 7 1 0 6 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 M END > ZINC03833814 > 1 $$$$ SciTegic07110717372D 17 17 0 0 0 0 999 V2000 2.4499 -4.5430 0.0000 C 0 0 3.7108 -5.3571 0.0000 C 0 0 3.6372 -6.8561 0.0000 O 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 1 4 1 0 2 3 1 0 4 5 1 0 5 6 2 0 7 5 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134458 > 1 $$$$ SciTegic07110717372D 17 17 0 0 0 0 999 V2000 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 S 0 0 2 0 0 0 1.3823 -5.0910 0.0000 O 0 0 3.5175 -3.9950 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 1 5 6 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134452 > 1 $$$$ SciTegic07110717372D 17 17 0 0 0 0 999 V2000 3.6372 -6.8561 0.0000 C 0 0 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 3.4131 -2.5873 0.0000 O 0 0 1.2626 -2.2300 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134467 > 1 $$$$ SciTegic07110717372D 18 18 0 0 0 0 999 V2000 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 S 0 0 2 0 0 0 5.1001 1.3484 0.0000 O 0 0 5.2185 -1.0487 0.0000 O 0 0 3.8979 -0.6634 0.0000 O 0 0 2.5625 0.0216 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.3744 3.7074 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1.2628 -2.2303 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 6 5 6 1 0 6 7 1 0 7 12 1 0 7 8 1 0 7 18 1 6 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134454 > 1 $$$$ SciTegic07110717372D 19 19 0 0 0 0 999 V2000 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 O 0 0 3.8979 -0.6634 0.0000 C 0 0 3.9571 -1.8619 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.3744 3.7074 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1.2628 -2.2303 0.0000 C 0 0 0.2233 -2.8299 0.0000 O 0 0 2.5620 -2.9817 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 6 17 1 0 7 8 1 0 7 16 1 6 8 9 1 0 8 15 1 1 9 10 1 0 9 14 1 6 10 11 1 0 10 12 1 1 12 13 1 0 17 18 2 0 17 19 1 0 M END > ZINC04134471 > 1 $$$$ SciTegic07110717372D 19 19 0 0 0 0 999 V2000 1.2626 -2.2300 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 1.2998 3.4084 0.0000 O 0 0 2.6000 1.4586 0.0000 N 0 0 3.8999 2.2087 0.0000 C 0 0 5.2000 1.4589 0.0000 C 0 0 1 0 0 0 6.2393 2.0587 0.0000 F 0 0 6.2392 0.8588 0.0000 F 0 0 5.2001 0.2589 0.0000 F 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 19 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 18 1 1 4 5 1 0 4 17 1 6 5 6 1 0 5 16 1 1 6 7 1 0 6 8 1 6 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 6 12 14 1 0 12 15 1 0 M END > ZINC03833799 > 1 $$$$ SciTegic07110717372D 19 19 0 0 0 0 999 V2000 4.8981 -7.6701 0.0000 C 0 0 3.6372 -6.8561 0.0000 C 0 0 2.5697 -7.4041 0.0000 O 0 0 3.7108 -5.3571 0.0000 N 0 0 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 C 0 0 3.4131 -2.5873 0.0000 O 0 0 1.2626 -2.2300 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 14 1 0 9 10 1 0 10 11 1 0 10 19 1 6 11 12 1 0 11 18 1 1 12 13 1 0 12 17 1 6 13 14 1 0 13 15 1 1 15 16 1 0 M END > ZINC04134463 > 1 $$$$ SciTegic07110717372D 20 20 0 0 0 0 999 V2000 3.7108 -5.3571 0.0000 C 0 0 2.4499 -4.5430 0.0000 C 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 3.6372 -6.8561 0.0000 C 0 0 1 0 0 0 4.6454 -7.5069 0.0000 F 0 0 3.5778 -8.0546 0.0000 F 0 0 2.5697 -7.4041 0.0000 F 0 0 1 2 1 0 1 17 1 0 2 3 1 0 3 4 1 0 4 5 2 0 6 4 1 1 6 11 1 0 6 7 1 0 7 8 1 0 7 16 1 6 8 9 1 0 8 15 1 1 9 10 1 0 9 14 1 6 10 11 1 0 10 12 1 1 12 13 1 0 17 18 1 6 17 19 1 0 17 20 1 0 M END > ZINC04134450 > 1 $$$$ SciTegic07110717372D 17 18 0 0 0 0 999 V2000 2.9761 2.4388 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 2 0 0 0 0.3168 3.8022 0.0000 C 0 0 2 0 0 0 -1.0251 3.1871 0.0000 C 0 0 1 0 0 0 -1.1742 1.6588 0.0000 C 0 0 2 0 0 0 0.0186 0.7828 0.0000 C 0 0 2 0 0 0 1.3979 1.3979 0.0000 O 0 0 1.4351 0.3168 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 1.4351 -1.1556 0.0000 N 0 0 0.0186 -1.6401 0.0000 C 0 0 -0.3446 -2.7838 0.0000 O 0 0 -0.8574 -0.4287 0.0000 N 0 0 -2.3503 2.5572 0.0000 O 0 0 -0.8474 4.6567 0.0000 O 0 0 1.6816 4.3771 0.0000 O 0 0 3.3322 0.9808 0.0000 O 0 0 2 1 1 1 1 17 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 16 1 6 4 5 1 0 4 15 1 1 5 6 1 0 5 14 1 6 6 13 1 0 6 7 1 1 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > ZINC03833817 > 2 $$$$ SciTegic07110717372D 18 19 0 0 0 0 999 V2000 2.9761 2.4388 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 2 0 0 0 0.3168 3.8022 0.0000 C 0 0 2 0 0 0 -1.0251 3.1871 0.0000 C 0 0 1 0 0 0 -1.1742 1.6588 0.0000 C 0 0 2 0 0 0 0.0186 0.7828 0.0000 C 0 0 2 0 0 0 1.3979 1.3979 0.0000 O 0 0 1.4351 0.3168 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 1.4351 -1.1556 0.0000 N 0 0 0.0186 -1.6401 0.0000 C 0 0 -0.3446 -2.7838 0.0000 O 0 0 -0.8574 -0.4287 0.0000 N 0 0 2.6555 -2.0253 0.0000 N 0 0 -2.3503 2.5572 0.0000 O 0 0 -0.8474 4.6567 0.0000 O 0 0 1.6816 4.3771 0.0000 O 0 0 3.3322 0.9808 0.0000 O 0 0 2 1 1 1 1 18 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 17 1 6 4 5 1 0 4 16 1 1 5 6 1 0 5 15 1 6 6 13 1 0 6 7 1 1 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 14 1 0 11 12 2 0 11 13 1 0 M END > ZINC03833818 > 2 $$$$ SciTegic07110717372D 18 19 0 0 0 0 999 V2000 2.9761 2.4388 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 2 0 0 0 0.3168 3.8022 0.0000 C 0 0 2 0 0 0 -1.0251 3.1871 0.0000 C 0 0 1 0 0 0 -1.1742 1.6588 0.0000 C 0 0 2 0 0 0 0.0186 0.7828 0.0000 C 0 0 2 0 0 0 1.3979 1.3979 0.0000 O 0 0 1.4351 0.3168 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 1.4351 -1.1556 0.0000 N 0 0 0.0186 -1.6401 0.0000 C 0 0 -0.3446 -2.7838 0.0000 O 0 0 -0.8574 -0.4287 0.0000 N 0 0 2.6555 -2.0253 0.0000 O 0 0 -2.3503 2.5572 0.0000 O 0 0 -0.8474 4.6567 0.0000 O 0 0 1.6816 4.3771 0.0000 O 0 0 3.3322 0.9808 0.0000 O 0 0 2 1 1 1 1 18 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 17 1 6 4 5 1 0 4 16 1 1 5 6 1 0 5 15 1 6 6 13 1 0 6 7 1 1 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 14 1 0 11 12 2 0 11 13 1 0 M END > ZINC03833816 > 2 $$$$ SciTegic07110717372D 21 22 0 0 0 0 999 V2000 -2.3625 -4.8154 0.0000 C 0 0 -1.9047 -3.3860 0.0000 C 0 0 -2.7118 -2.4979 0.0000 O 0 0 -0.4383 -3.0669 0.0000 N 0 0 0.0186 -1.6401 0.0000 N 0 0 -0.8574 -0.4287 0.0000 C 0 0 -2.0574 -0.4287 0.0000 O 0 0 0.0186 0.7828 0.0000 C 0 0 2 0 0 0 1.3979 1.3979 0.0000 C 0 0 1 0 0 0 1.5656 2.8889 0.0000 C 0 0 2 0 0 0 0.3168 3.8022 0.0000 C 0 0 1 0 0 0 -1.0251 3.1871 0.0000 C 0 0 2 0 0 0 -1.1742 1.6588 0.0000 O 0 0 -2.3562 2.5395 0.0000 C 0 0 -2.5000 1.0455 0.0000 O 0 0 1.6816 4.3771 0.0000 O 0 0 2.7371 1.9835 0.0000 O 0 0 2.7367 2.0290 0.0000 O 0 0 1.4351 0.3168 0.0000 N 0 0 1.4351 -1.1556 0.0000 C 0 0 2.4114 -1.8534 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 20 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 13 1 6 8 9 1 0 8 19 1 0 9 10 1 0 9 18 1 1 10 11 1 0 10 17 1 6 11 12 1 0 11 16 1 1 12 13 1 0 12 14 1 6 14 15 1 0 19 20 1 0 20 21 2 0 M END > ZINC03833806 > 2 $$$$ SciTegic07110717372D 17 18 0 0 0 0 999 V2000 1.0702 -4.4084 0.0000 C 0 0 1.7554 -5.7428 0.0000 C 0 0 2.4499 -4.5430 0.0000 C 0 0 2 0 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 3 1 0 1 2 1 0 2 3 1 0 3 4 1 1 4 5 1 0 5 6 2 0 7 5 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134462 > 3 $$$$ SciTegic07110717372D 18 19 0 0 0 0 999 V2000 0.0000 3.0035 0.0000 C 0 0 -1.2988 2.2729 0.0000 C 0 0 -2.3347 2.8787 0.0000 O 0 0 -1.2988 0.7306 0.0000 N 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 1.2785 -0.7509 0.0000 C 0 0 1 0 0 0 1.2785 -2.2526 0.0000 C 0 0 2 0 0 0 0.0000 -3.0238 0.0000 C 0 0 1 0 0 0 -1.2988 -2.2526 0.0000 C 0 0 2 0 0 0 -1.2988 -0.7509 0.0000 O 0 0 -2.5568 -1.4729 0.0000 C 0 0 -3.8971 -2.1483 0.0000 O 0 0 1.3024 -3.7299 0.0000 O 0 0 2.5333 -1.4683 0.0000 O 0 0 2.5386 -1.5274 0.0000 O 0 0 1.2785 0.7306 0.0000 C 0 0 2.3164 0.1283 0.0000 O 0 0 1.2785 2.2729 0.0000 N 0 0 1 18 1 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 1 6 5 6 1 0 5 16 1 0 6 7 1 0 6 15 1 6 7 8 1 0 7 14 1 1 8 9 1 0 8 13 1 6 9 10 1 0 9 11 1 1 11 12 1 0 16 17 2 0 16 18 1 0 M END > ZINC03833813 > 4 $$$$ SciTegic07110717372D 20 21 0 0 0 0 999 V2000 2.5967 1.4871 0.0000 C 0 0 2.6029 2.9870 0.0000 C 0 0 1.3070 3.7424 0.0000 C 0 0 0.0049 2.9977 0.0000 C 0 0 -0.0013 1.4977 0.0000 C 0 0 1.2946 0.7424 0.0000 C 0 0 -1.2934 3.7508 0.0000 C 0 0 -1.2905 4.9508 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -5.1548 4.5302 0.0000 C 0 0 1 0 0 0 -6.4553 3.7827 0.0000 C 0 0 2 0 0 0 -6.4581 2.2827 0.0000 C 0 0 1 0 0 0 -5.1605 1.5302 0.0000 C 0 0 2 0 0 0 -3.8600 2.2778 0.0000 O 0 0 -3.8619 0.8193 0.0000 C 0 0 -3.7902 -0.6798 0.0000 O 0 0 -7.7201 3.0566 0.0000 O 0 0 -6.4160 5.2626 0.0000 O 0 0 -6.4446 5.2586 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 9 1 0 10 9 1 6 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 1 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 1 14 15 1 0 14 16 1 6 16 17 1 0 M END > ZINC03833812 > 5 $$$$ SciTegic07110717372D 20 21 0 0 0 0 999 V2000 2.5967 1.4871 0.0000 C 0 0 2.6029 2.9870 0.0000 C 0 0 1.3070 3.7424 0.0000 C 0 0 0.0049 2.9977 0.0000 C 0 0 -0.0013 1.4977 0.0000 C 0 0 1.2946 0.7424 0.0000 C 0 0 -1.2934 3.7508 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5980 1.8039 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -5.1548 4.5302 0.0000 C 0 0 1 0 0 0 -6.4553 3.7827 0.0000 C 0 0 2 0 0 0 -6.4581 2.2827 0.0000 C 0 0 1 0 0 0 -5.1605 1.5302 0.0000 C 0 0 2 0 0 0 -3.8600 2.2778 0.0000 O 0 0 -3.8619 0.8193 0.0000 C 0 0 -3.7902 -0.6798 0.0000 O 0 0 -7.7201 3.0566 0.0000 O 0 0 -6.4160 5.2626 0.0000 O 0 0 -6.4446 5.2586 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 2 0 10 8 1 6 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 1 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 1 14 15 1 0 14 16 1 6 16 17 1 0 M END > ZINC03833802 > 5 $$$$ SciTegic07110717372D 21 22 0 0 0 0 999 V2000 -1.3070 3.7424 0.0000 C 0 0 -2.6029 2.9870 0.0000 C 0 0 -2.5968 1.4870 0.0000 C 0 0 -1.2946 0.7424 0.0000 C 0 0 0.0013 1.4977 0.0000 C 0 0 -0.0049 2.9977 0.0000 C 0 0 1.2933 3.7508 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 2.5980 1.8039 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 1 0 0 0 5.1548 4.5303 0.0000 C 0 0 1 0 0 0 6.4552 3.7827 0.0000 C 0 0 2 0 0 0 6.4581 2.2828 0.0000 C 0 0 1 0 0 0 5.1605 1.5303 0.0000 C 0 0 2 0 0 0 3.8600 2.2778 0.0000 O 0 0 3.8619 0.8194 0.0000 C 0 0 3.7902 -0.6797 0.0000 O 0 0 7.7201 3.0567 0.0000 O 0 0 6.4160 5.2627 0.0000 O 0 0 6.4445 5.2587 0.0000 O 0 0 -3.8918 0.7286 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 10 8 1 1 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 6 12 13 1 0 12 19 1 1 13 14 1 0 13 18 1 6 14 15 1 0 14 16 1 1 16 17 1 0 M END > ZINC03833803 > 5 $$$$ SciTegic07110717372D 21 22 0 0 0 0 999 V2000 -1.3070 3.7424 0.0000 C 0 0 -2.6029 2.9870 0.0000 C 0 0 -2.5968 1.4870 0.0000 C 0 0 -1.2946 0.7424 0.0000 C 0 0 0.0013 1.4977 0.0000 C 0 0 -0.0049 2.9977 0.0000 C 0 0 1.2933 3.7508 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 2.5980 1.8039 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 2 0 0 0 5.1548 4.5303 0.0000 C 0 0 1 0 0 0 6.4552 3.7827 0.0000 C 0 0 2 0 0 0 6.4581 2.2828 0.0000 C 0 0 1 0 0 0 5.1605 1.5303 0.0000 C 0 0 2 0 0 0 3.8600 2.2778 0.0000 O 0 0 3.8619 0.8194 0.0000 C 0 0 3.7902 -0.6797 0.0000 O 0 0 7.7201 3.0567 0.0000 O 0 0 6.4160 5.2627 0.0000 O 0 0 6.4445 5.2587 0.0000 O 0 0 -3.8918 0.7286 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 10 8 1 6 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 6 12 13 1 0 12 19 1 1 13 14 1 0 13 18 1 6 14 15 1 0 14 16 1 1 16 17 1 0 M END > ZINC03833801 > 5 $$$$ SciTegic07110717372D 20 21 0 0 0 0 999 V2000 -2.5762 6.0039 0.0000 C 0 0 -3.8792 5.2609 0.0000 C 0 0 -3.8873 3.7609 0.0000 C 0 0 -2.5923 3.0039 0.0000 C 0 0 -1.2892 3.7469 0.0000 C 0 0 -1.2812 5.2469 0.0000 C 0 0 0.0065 2.9895 0.0000 C 0 0 -0.0006 1.4887 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 -3.8990 0.7562 0.0000 C 0 0 2 0 0 0 -5.1998 0.0511 0.0000 C 0 0 1 0 0 0 -5.2036 -1.4489 0.0000 C 0 0 2 0 0 0 -3.9065 -2.2021 0.0000 C 0 0 1 0 0 0 -2.6056 -1.4554 0.0000 C 0 0 2 0 0 0 -2.6018 0.0446 0.0000 O 0 0 -1.3401 -0.6871 0.0000 C 0 0 -1.3357 0.8138 0.0000 O 0 0 -5.2082 -2.9073 0.0000 O 0 0 -6.4652 -0.6741 0.0000 O 0 0 -6.4761 -0.7008 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 7 8 1 0 10 9 1 1 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 1 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 1 14 15 1 0 14 16 1 6 16 17 1 0 M END > ZINC03833798 > 6 $$$$ SciTegic07110717372D 21 23 0 0 0 0 999 V2000 6.5510 5.9849 0.0000 C 0 0 7.8604 5.2633 0.0000 C 0 0 7.8974 3.7440 0.0000 C 0 0 6.6020 2.9799 0.0000 C 0 0 5.2926 3.7015 0.0000 C 0 0 5.2468 5.2048 0.0000 C 0 0 4.2070 2.6760 0.0000 C 0 0 4.8225 1.3376 0.0000 C 0 0 6.3147 1.5144 0.0000 N 0 0 4.0872 0.0320 0.0000 O 0 0 4.8506 -1.2602 0.0000 C 0 0 1 0 0 0 5.6337 -2.5155 0.0000 C 0 0 1 0 0 0 4.8965 -3.8218 0.0000 C 0 0 2 0 0 0 3.3965 -3.8365 0.0000 C 0 0 1 0 0 0 2.6339 -2.5449 0.0000 C 0 0 2 0 0 0 3.3711 -1.2386 0.0000 O 0 0 1.9127 -1.2520 0.0000 C 0 0 2.6498 0.0554 0.0000 O 0 0 4.1804 -5.0924 0.0000 O 0 0 6.3760 -3.7709 0.0000 O 0 0 6.3723 -3.7995 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 11 10 1 1 11 16 1 0 11 12 1 0 12 13 1 0 12 21 1 6 13 14 1 0 13 20 1 1 14 15 1 0 14 19 1 6 15 16 1 0 15 17 1 1 17 18 1 0 M END > ZINC03833805 > 7 $$$$ SciTegic07110717372D 21 23 0 0 0 0 999 V2000 6.5510 5.9849 0.0000 C 0 0 7.8604 5.2633 0.0000 C 0 0 7.8974 3.7440 0.0000 C 0 0 6.6020 2.9799 0.0000 C 0 0 5.2926 3.7015 0.0000 C 0 0 5.2468 5.2048 0.0000 C 0 0 4.2070 2.6760 0.0000 C 0 0 4.8225 1.3376 0.0000 C 0 0 6.3147 1.5144 0.0000 N 0 0 4.0872 0.0320 0.0000 O 0 0 4.8506 -1.2602 0.0000 C 0 0 2 0 0 0 5.6337 -2.5155 0.0000 C 0 0 1 0 0 0 4.8965 -3.8218 0.0000 C 0 0 2 0 0 0 3.3965 -3.8365 0.0000 C 0 0 1 0 0 0 2.6339 -2.5449 0.0000 C 0 0 2 0 0 0 3.3711 -1.2386 0.0000 O 0 0 1.9127 -1.2520 0.0000 C 0 0 2.6498 0.0554 0.0000 O 0 0 4.1804 -5.0924 0.0000 O 0 0 6.3760 -3.7709 0.0000 O 0 0 6.3723 -3.7995 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 11 10 1 6 11 16 1 0 11 12 1 0 12 13 1 0 12 21 1 6 13 14 1 0 13 20 1 1 14 15 1 0 14 19 1 6 15 16 1 0 15 17 1 1 17 18 1 0 M END > ZINC03833804 > 7 $$$$ SciTegic07110717372D 22 23 0 0 0 0 999 V2000 -1.2995 -5.2508 0.0000 C 0 0 -1.2995 -3.7508 0.0000 C 0 0 -2.5985 -3.0008 0.0000 C 0 0 -3.8976 -3.7508 0.0000 C 0 0 -3.8976 -5.2508 0.0000 C 0 0 -2.5985 -6.0008 0.0000 C 0 0 -5.1973 -3.0004 0.0000 C 0 0 -5.1983 -1.4996 0.0000 O 0 0 -6.4980 -0.7492 0.0000 C 0 0 -7.5371 -1.3495 0.0000 O 0 0 -6.4990 0.7516 0.0000 N 0 0 -7.7988 1.5020 0.0000 C 0 0 1 0 0 0 -9.0977 2.2105 0.0000 C 0 0 1 0 0 0 -9.0975 3.7105 0.0000 C 0 0 2 0 0 0 -7.7983 4.4603 0.0000 C 0 0 1 0 0 0 -6.4994 3.7101 0.0000 C 0 0 2 0 0 0 -6.4996 2.2101 0.0000 O 0 0 -5.2360 2.9384 0.0000 C 0 0 -3.9005 3.6231 0.0000 O 0 0 -9.0981 5.1690 0.0000 O 0 0 -10.3611 2.9392 0.0000 O 0 0 -10.3719 2.9659 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 11 1 1 12 17 1 0 12 13 1 0 13 14 1 0 13 22 1 6 14 15 1 0 14 21 1 1 15 16 1 0 15 20 1 6 16 17 1 0 16 18 1 1 18 19 1 0 M END > ZINC03833810 > 8 $$$$ SciTegic07110717372D 22 23 0 0 0 0 999 V2000 3.9006 3.7348 0.0000 C 0 0 3.9068 5.2348 0.0000 C 0 0 2.6109 5.9901 0.0000 C 0 0 1.3087 5.2455 0.0000 C 0 0 1.3026 3.7455 0.0000 C 0 0 2.5985 2.9901 0.0000 C 0 0 0.0105 5.9986 0.0000 N 0 0 -1.2912 5.2516 0.0000 C 0 0 -1.2941 4.0516 0.0000 O 0 0 -2.5894 6.0047 0.0000 C 0 0 -3.8912 5.2578 0.0000 S 0 0 -5.1894 6.0109 0.0000 C 0 0 1 0 0 0 -6.4509 6.7841 0.0000 C 0 0 1 0 0 0 -7.7513 6.0366 0.0000 C 0 0 2 0 0 0 -7.7542 4.5366 0.0000 C 0 0 1 0 0 0 -6.4566 3.7841 0.0000 C 0 0 2 0 0 0 -5.1561 4.5317 0.0000 O 0 0 -5.1580 3.0732 0.0000 C 0 0 -3.8565 3.8206 0.0000 O 0 0 -9.0162 5.3105 0.0000 O 0 0 -7.7121 7.5165 0.0000 O 0 0 -7.7407 7.5125 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 12 11 1 6 12 17 1 0 12 13 1 0 13 14 1 0 13 22 1 1 14 15 1 0 14 21 1 6 15 16 1 0 15 20 1 1 16 17 1 0 16 18 1 6 18 19 1 0 M END > ZINC04134455 > 8 $$$$ SciTegic07110717372D 28 29 0 0 0 0 999 V2000 -0.3660 -4.0745 0.0000 C 0 0 0.5404 -2.8783 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.7502 -0.4571 0.0000 C 0 0 -3.1611 0.6703 0.0000 O 0 0 -1.7710 2.1532 0.0000 C 0 0 -1.0000 3.0728 0.0000 O 0 0 0.5389 2.8791 0.0000 C 0 0 -0.3980 4.0504 0.0000 C 0 0 0.1480 5.4476 0.0000 C 0 0 1.6309 5.6733 0.0000 C 0 0 2.5678 4.5019 0.0000 C 0 0 2.0219 3.1048 0.0000 C 0 0 2.7714 2.1677 0.0000 Cl 0 0 2.2224 -0.4072 0.0000 C 0 0 1.7569 -1.5132 0.0000 O 0 0 3.7116 -0.2202 0.0000 O 0 0 4.6188 -1.4159 0.0000 C 0 0 1 0 0 0 6.1079 -1.2289 0.0000 C 0 0 4.0365 -2.7991 0.0000 C 0 0 2.5625 0.0216 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 3 -3.5215 -1.3765 0.0000 O 0 5 -2.9528 2.3614 0.0000 O 0 5 1 2 1 0 2 26 1 0 3 4 1 0 3 25 1 6 3 26 1 0 4 5 1 0 4 19 1 1 5 6 1 0 5 12 1 6 6 7 1 0 6 10 1 6 7 8 1 6 7 26 1 0 8 9 2 0 8 27 1 0 10 11 2 0 10 28 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 M CHG 3 26 1 27 -1 28 -1 M END > ZINC04642456 > 9 $$$$ SciTegic07110717372D 28 29 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 0.0031 3.0008 0.0000 C 0 0 1.0432 3.5994 0.0000 O 0 0 -1.2643 2.2302 0.0000 C 0 0 -2.5453 3.0105 0.0000 C 0 0 -2.5101 4.5101 0.0000 C 0 0 -1.1938 5.2294 0.0000 C 0 0 0.0872 4.4491 0.0000 C 0 0 0.0520 2.9495 0.0000 C 0 0 1.0769 2.3253 0.0000 Cl 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.6375 -0.9049 0.0000 O 0 0 -2.5951 -3.0039 0.0000 O 0 0 -3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 -3.8912 -5.2578 0.0000 C 0 0 -2.5684 -4.5222 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 5 -1.0351 3.6026 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 5 2 0 4 26 1 0 5 6 1 0 5 20 1 0 6 7 1 0 6 13 1 1 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 27 1 0 11 12 2 0 11 28 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 M CHG 2 27 -1 28 -1 M END > ZINC03993547 > 9 $$$$ SciTegic07110717372D 30 33 0 0 0 0 999 V2000 4.7574 6.5471 0.0000 C 0 0 4.0233 5.2390 0.0000 C 0 0 4.7891 3.9492 0.0000 C 0 0 6.2890 3.9675 0.0000 C 0 0 7.0231 5.2756 0.0000 C 0 0 6.2573 6.5654 0.0000 C 0 0 7.0552 2.6770 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.7672 0.8667 0.0000 C 0 0 8.6741 1.6525 0.0000 O 0 0 8.0515 -0.6069 0.0000 N 0 0 7.1987 -1.7968 0.0000 C 0 0 8.4393 -2.6399 0.0000 C 0 0 2 0 0 0 9.2824 -1.3992 0.0000 C 0 0 7.3016 -3.6132 0.0000 C 0 0 6.1682 -3.2191 0.0000 O 0 0 4.8208 1.3475 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 4.7008 -0.9930 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.3560 1.3452 0.0000 Cl 0 0 7.5266 -4.7920 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 1 8 9 1 0 8 17 1 0 9 10 2 0 9 11 1 0 11 14 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 6 15 16 2 0 15 30 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 28 1 0 20 21 2 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 29 1 0 25 26 2 0 26 27 1 0 27 28 1 0 M CHG 1 30 -1 M END > ZINC02046793 > 10 $$$$