-ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.9500 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.4833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6667 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.2958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1875 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 9 1 0 0 0 0 5 6 1 0 0 0 0 8 14 2 0 0 0 0 M CHG 2 4 1 10 -1 M END > (S0226) S0226 > (S0226) 5-Nitro-1H-isoindole-1,3(2H)-dione > (S0226) 89-40-7 > (S0226) 194.5-195 œC (ref. 1) > (S0226) AC; DY; NT > (S0226) 5-Nitroisoindole-1,3-dione; Phthalimide, 4-nitro- (6CI, 7CI, 8CI); 4-Nitrophthalimide; 5-Nitrophthalimide > (S0226) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.3417 -0.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 3 0 0 0 0 6 7 3 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 9 13 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S0227) S0227 > (S0227) 3-Nitrophthalonitrile > (S0227) 51762-67-5 > (S0227) AC; DY; NT > (S0227) 2,3-Dicyanonitrobenzene; 1,2-Dicyano-3-nitrobenzene; 3-Nitrophthalonitrile > (S0227) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3625 0.2333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3417 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7875 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 3 0 0 0 0 4 7 3 0 0 0 0 5 8 2 0 0 0 0 6 5 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 13 2 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 5 10 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S0228) S0228 > (S0228) 4-Nitrophthalonitrile > (S0228) 31643-49-9 > (S0228) 141 > (S0228) AC; NT > (S0228) 3,4-Dicyanonitrobenzene; 1,2-Dicyano-4-nitrobenzene; Phthalonitrile, 4-nitro- (6CI, 8CI); 4-Nitro-1,2-benzenedicarbonitrile; 4-Nitro-1,2-dicyanobenzene; 4-Nitro-o-benzenedinitrile; 4-Nitrophthalonitrile > (S0228) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.0500 1.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3375 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.7042 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S0239) S0239 > (S0239) 1-Fluoro-3-iodo-5-nitrobenzene > (S0239) 3819-88-3 > (S0239) FL; HA; NT > (S0239) Benzene, 1-fluoro-3-iodo-5-nitro- > (S0239) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3875 0.0333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4792 0.0458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2042 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.5208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 12 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 1 2 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 7 4 1 0 0 0 0 M CHG 4 1 1 2 1 8 -1 9 -1 M END > (S0240) S0240 > (S0240) 1-Iodo-3,5-dinitrobenzene > (S0240) 6276-04-6 > (S0240) HA; NT > (S0240) Benzene, 1-iodo-3,5-dinitro- > (S0240) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 2.2250 1.7583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.1000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8042 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9542 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 12 1 0 0 0 0 5 12 1 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S0289) S0289 > (S0289) 4-Chloro-2-nitrobenzenesulfonyl chloride > (S0289) 4533-96-4 > (S0289) HA; SC; NT > (S0289) Benzenesulfonyl chloride, 4-chloro-2-nitro- > (S0289) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.3792 2.1083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8292 -0.3625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3917 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5417 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 4 12 2 0 0 0 0 M CHG 2 2 1 8 -1 M END > (S0304) S0304 > (S0304) 3-Nitrobenzenesulfonyl chloride > (S0304) 121-51-7 > (S0304) SC; NT > (S0304) Benzenesulfonyl chloride, 3-nitro- > (S0304) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6042 2.9125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6125 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 3.3208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9375 3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 10 2 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 9 8 1 0 0 0 0 14 16 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S0404) S0404 > (S0404) 1-Nitro-4-phenoxybenzene > (S0404) 620-88-2 > (S0404) BP; NT > (S0404) Benzene, 1-nitro-4-phenoxy- > (S0404) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.2292 -2.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2292 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -2.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3750 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 3 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1645) S1645 > (S1645) (2-methoxy-5-nitrophenyl)acetic acid > (S1645) 51073-04-2 > (S1645) AC; NT > (S1645) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 3.0250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.5583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4583 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 15 1 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 6 5 1 0 0 0 0 13 7 2 0 0 0 0 M CHG 2 3 1 10 -1 M END > (S1656) S1656 > (S1656) 5-(3-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1656) 1086385-88-7 > (S1656) AM; HC; NT > (S1656) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.5750 -0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.2833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3917 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.6583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.0958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4333 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 12 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 4 1 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 M CHG 2 3 1 9 -1 M END > (S1657) S1657 > (S1657) 5-(4-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1657) 90220-90-9 > (S1657) AM; HC; NT > (S1657) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 3.3417 0.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3375 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.3625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 8 10 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1690) S1690 > (S1690) 4-bromo-2-nitroaniline > (S1690) 875-51-4 > (S1690) AM; HA; NT > (S1690) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 1.6167 1.2875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.8833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6167 2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.1917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 3 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S1694) S1694 > (S1694) 4-bromo-2-nitrobenzonitrile > (S1694) 79603-03-5 > (S1694) AC; HA; NT > (S1694) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.0750 -0.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7792 1.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.2583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 12 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 11 4 1 0 0 0 0 13 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1713) S1713 > (S1713) 3-methyl-1-(4-nitrophenyl)piperazine > (S1713) 329922-44-3 > (S1713) AM; HC; NT; PZ > (S1713) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.7208 -2.1500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -1.7375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 2 2 0 0 0 0 12 11 1 0 0 0 0 8 4 1 0 0 0 0 6 7 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S1730) S1730 > (S1730) 5-nitro-1,3-benzothiazole > (S1730) 2942-07-6 > (S1730) HC; NT > (S1730) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 1.4625 -4.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1750 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -5.0750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1750 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 11 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 2 8 2 0 0 0 0 M CHG 2 1 1 6 -1 M END > (S1749) S1749 > (S1749) methyl 2-methyl-5-nitrobenzoate > (S1749) 77324-87-9 > (S1749) AC; NT > (S1749) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.4167 -4.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 5 7 2 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1750) S1750 > (S1750) (2-methyl-5-nitrophenyl)methanol > (S1750) 22474-47-1 > (S1750) MI; NT > (S1750) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.1500 -4.6000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -5.0125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 3 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 6 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1752) S1752 > (S1752) 2-(2-methyl-5-nitrophenyl)acetonitrile > (S1752) 409082-11-7 > (S1752) AC; NT > (S1752) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 3.8042 -4.8500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -5.2625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 3 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1753) S1753 > (S1753) 2-(2-methyl-5-nitrophenyl)acetic acid > (S1753) 287119-83-9 > (S1753) AC; NT > (S1753) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 5.1375 -1.3250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4250 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -1.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1375 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.8042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1767) S1767 > (S1767) 4-bromo-1-methyl-2-nitrobenzene > (S1767) 60956-26-5 > (S1767) HA; NT > (S1767) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4250 0.2083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 12 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 3 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 14 11 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1791) S1791 > (S1791) 3-(4-bromo-2-nitrophenyl)propanoic acid > (S1791) 1086386-16-4 > (S1791) AC; HA; NT; PP > (S1791) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.7917 0.0750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7875 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.4042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 11 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1799) S1799 > (S1799) 4-bromo-2-nitrobenzaldehyde > (S1799) 5551-12-2 > (S1799) AK; HA; NT > (S1799) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 3.4000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 2.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2250 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 2.8833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0917 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S1801) S1801 > (S1801) 3-methyl-4-nitro-1H-pyrazole > (S1801) 5334-39-4 > (S1801) AM; HC; NT > (S1801) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0875 -3.7417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -3.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0875 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 10 13 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S1876) S1876 > (S1876) 3-(4-nitrophenyl)propanoic acid > (S1876) 16642-79-8 > (S1876) AC; NT; PP > (S1876) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 6.5417 -5.8792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.2792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5375 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.3542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 8 11 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1960) S1960 > (S1960) N-[(E)-(4-bromo-2-nitrophenyl)methylidene]methanamine > (S1960) HA; NT > (S1960) N-[(E)-(4-bromo-2-nitrophenyl)methylidene]-N-methylamine > (S1960) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 0.8375 -2.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8375 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 5 6 1 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S2006) S2006 > (S2006) 6-nitro-1,3-benzothiazol-2-amine > (S2006) 6285-57-0 > (S2006) AM; HC; NT > (S2006) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.2917 -3.9000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5750 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.7250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0042 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -4.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2015) S2015 > (S2015) 4-amino-3-nitrobenzoic acid > (S2015) 1588-83-6 > (S2015) AC; AM; NT > (S2015) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.2542 -5.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.4500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9750 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 2 6 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2025) S2025 > (S2025) 2-methoxy-5-nitrobenzoic acid > (S2025) 40751-89-1 > (S2025) AC; NT > (S2025) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 6.6917 -7.1375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -7.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4042 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2032) S2032 > (S2032) methyl 4-amino-3-nitrobenzoate > (S2032) 3987-92-6 > (S2032) AC; AM; NT > (S2032) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.3833 -4.4292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1917 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -4.0167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 6 2 0 0 0 0 10 1 2 0 0 0 0 11 18 2 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 4 2 0 0 0 0 15 7 1 0 0 0 0 16 7 2 0 0 0 0 17 6 1 0 0 0 0 18 16 1 0 0 0 0 19 15 2 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 22 9 1 0 0 0 0 23 20 1 0 0 0 0 19 11 1 0 0 0 0 13 20 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S2067) S2067 > (S2067) N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide > (S2067) 62254-00-6 > (S2067) AK; NT > (S2067) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 6.8917 -2.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.8042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8917 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 8 5 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S2092) S2092 > (S2092) 4-nitro-1,1'-biphenyl > (S2092) 92-93-3 > (S2092) BP; NT > (S2092) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 4.9000 -6.3792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6167 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.5542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0417 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -8.8542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S2099) S2099 > (S2099) (4-bromo-2-nitrophenyl)acetic acid > (S2099) 6127-11-3 > (S2099) AC; HA; NT > (S2099) true $$$$