-ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 4.7667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 10 13 1 0 0 0 0 M END > (S1591) S1591 > (S1591) 3-(2-methoxyphenyl)propanoic acid > (S1591) 6342-77-4 > (S1591) AC; PP > (S1591) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 4 2 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 7 12 1 0 0 0 0 M END > (S1592) S1592 > (S1592) 3-(3-methoxyphenyl)propanoic acid > (S1592) 10516-71-9 > (S1592) AC; PP > (S1592) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.4500 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S1593) S1593 > (S1593) 3-(4-methoxyphenyl)propanoic acid > (S1593) 1929-29-9 > (S1593) AC; PP > (S1593) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 4.4792 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 2 2 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 4 2 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 4 6 1 0 0 0 0 14 19 2 0 0 0 0 18 15 1 0 0 0 0 M END > (S1594) S1594 > (S1594) 3-(9-anthryl)propanoic acid > (S1594) 41034-83-7 > (S1594) AC; PP > (S1594) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 7.3667 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 12 2 0 0 0 0 14 9 2 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 5 13 1 0 0 0 0 18 19 2 0 0 0 0 M END > (S1596) S1596 > (S1596) 3-[3-(benzyloxy)phenyl]propanoic acid > (S1596) 57668-34-5 > (S1596) AC; PP > (S1596) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 8.3917 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 10 4 1 0 0 0 0 18 19 2 0 0 0 0 M END > (S1597) S1597 > (S1597) 3-[4-(benzyloxy)phenyl]propanoic acid > (S1597) 50463-48-4 > (S1597) AC; PP > (S1597) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.2625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 7 12 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S1598) S1598 > (S1598) 3-[3-(benzyloxy)-4-methoxyphenyl]propanoic acid > (S1598) 36418-96-9 > (S1598) AC; PP > (S1598) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 8.0542 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -7.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 2 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 6 2 1 0 0 0 0 16 17 2 0 0 0 0 M END > (S1599) S1599 > (S1599) 3-(1,1'-biphenyl-4-yl)propanoic acid > (S1599) 35888-99-4 > (S1599) AC; PP > (S1599) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -7.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 8 1 2 0 0 0 0 9 8 1 0 0 0 0 10 6 2 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 5 1 0 0 0 0 19 5 1 0 0 0 0 2 7 1 0 0 0 0 M END > (S1600) S1600 > (S1600) 3-(3,5-ditert-butylphenyl)propanoic acid > (S1600) 42288-01-7 > (S1600) AC; PP > (S1600) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 6 11 1 0 0 0 0 M END > (S1601) S1601 > (S1601) 3-(3-bromo-4-methoxyphenyl)propanoic acid > (S1601) 1857-57-4 > (S1601) AC; HA; PP > (S1601) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 11 7 2 0 0 0 0 M END > (S1602) S1602 > (S1602) 3-(5-bromo-2-methoxyphenyl)propanoic acid > (S1602) 82547-30-6 > (S1602) AC; HA; PP > (S1602) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 10 11 2 0 0 0 0 M END > (S1603) S1603 > (S1603) 3-(2-bromophenyl)propanoic acid > (S1603) 15115-58-9 > (S1603) AC; HA; PP > (S1603) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 9 4 2 0 0 0 0 M END > (S1604) S1604 > (S1604) 3-(4-bromophenyl)propanoic acid > (S1604) 1643-30-7 > (S1604) AC; HA; PP > (S1604) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 7.9667 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S1606) S1606 > (S1606) 3-(4-propoxyphenyl)propanoic acid > (S1606) 3243-40-1 > (S1606) AC; PP > (S1606) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S1607) S1607 > (S1607) 3-(4-ethoxyphenyl)propanoic acid > (S1607) 4919-34-0 > (S1607) AC; PP > (S1607) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 2.7792 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -7.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S1608) S1608 > (S1608) 4-(2-carboxyethyl)benzoic acid > (S1608) 38628-51-2 > (S1608) AC; PP > (S1608) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S1609) S1609 > (S1609) 3-(2-chlorophenyl)propanoic acid > (S1609) 1643-28-3 > (S1609) AC; HA; PP > (S1609) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 12 1 0 0 0 0 11 10 2 0 0 0 0 12 7 2 0 0 0 0 5 11 1 0 0 0 0 M END > (S1610) S1610 > (S1610) 3-(3-chlorophenyl)propanoic acid > (S1610) 21640-48-2 > (S1610) AC; HA; PP > (S1610) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 9 4 2 0 0 0 0 M END > (S1611) S1611 > (S1611) 3-(4-chlorophenyl)propanoic acid > (S1611) 2019-34-3 > (S1611) AC; HA; PP > (S1611) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1612) S1612 > (S1612) 3-(2-chloro-6-fluorophenyl)propanoic acid > (S1612) 88740-77-6 > (S1612) AC; FL; HA; PP > (S1612) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 8 12 2 0 0 0 0 M END > (S1613) S1613 > (S1613) 3-(2,4-dichlorophenyl)propanoic acid > (S1613) 55144-92-8 > (S1613) AC; HA; PP > (S1613) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1614) S1614 > (S1614) 3-(2,6-dichlorophenyl)propanoic acid > (S1614) 51656-68-9 > (S1614) AC; HA; PP > (S1614) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 12 6 2 0 0 0 0 M END > (S1615) S1615 > (S1615) 3-(3,4-dichlorophenyl)propanoic acid > (S1615) 25173-68-6 > (S1615) AC; HA; PP > (S1615) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 4 2 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 12 11 2 0 0 0 0 M END > (S1616) S1616 > (S1616) 3-(2,3-dimethoxyphenyl)propanoic acid > (S1616) 10538-48-4 > (S1616) AC; PP > (S1616) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 5.0875 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 11 8 1 0 0 0 0 M END > (S1617) S1617 > (S1617) 3-(2,4-dimethoxyphenyl)propanoic acid > (S1617) 22174-29-4 > (S1617) AC; PP > (S1617) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 5.0667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 7 11 2 0 0 0 0 M END > (S1618) S1618 > (S1618) 3-(2,5-dimethoxyphenyl)propanoic acid > (S1618) 10538-49-5 > (S1618) AC; PP > (S1618) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 4.2542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 12 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 10 6 2 0 0 0 0 M END > (S1619) S1619 > (S1619) 3-(3,4-dimethoxyphenyl)propanoic acid > (S1619) 2107-70-2 > (S1619) AC; PP > (S1619) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 6.7417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 13 10 2 0 0 0 0 M END > (S1620) S1620 > (S1620) 3-(2-ethoxyphenyl)propanoic acid > (S1620) 220285-28-9 > (S1620) AC; PP > (S1620) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 4.4625 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 12 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 10 6 2 0 0 0 0 M END > (S1621) S1621 > (S1621) 3-(4-ethoxy-3-methoxyphenyl)propanoic acid > (S1621) 30044-91-8 > (S1621) AC; PP > (S1621) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 6.7417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S1622) S1622 > (S1622) 3-(2-fluorophenyl)propanoic acid > (S1622) 1643-26-1 > (S1622) AC; FL; PP > (S1622) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.1542 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 9 4 2 0 0 0 0 M END > (S1623) S1623 > (S1623) 3-(4-fluorophenyl)propanoic acid > (S1623) 459-31-4 > (S1623) AC; FL; PP > (S1623) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 5.2417 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 2 2 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 6 9 1 0 0 0 0 14 17 1 0 0 0 0 M END > (S1626) S1626 > (S1626) 3-(2-methoxy-1-naphthyl)propanoic acid > (S1626) 34225-11-1 > (S1626) AC; PP > (S1626) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 6.4917 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 10 11 2 0 0 0 0 M END > (S1627) S1627 > (S1627) 3-(2-methylphenyl)propanoic acid > (S1627) 22084-89-5 > (S1627) AC; PP > (S1627) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.2542 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 8 11 2 0 0 0 0 M END > (S1628) S1628 > (S1628) 3-(3-methylphenyl)propanoic acid > (S1628) 3751-48-2 > (S1628) AC; PP > (S1628) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.2542 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 10 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 11 6 1 0 0 0 0 M END > (S1629) S1629 > (S1629) 3-(4-methylphenyl)propanoic acid > (S1629) 1505-50-6 > (S1629) AC; PP > (S1629) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.2542 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -6.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 4 9 2 0 0 0 0 M END > (S1631) S1631 > (S1631) 3-[4-(methylthio)phenyl]propanoic acid > (S1631) 138485-81-1 > (S1631) AC; PP > (S1631) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.6000 -6.3542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4250 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 10 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 13 11 2 0 0 0 0 M END > (S1632) S1632 > (S1632) 3-[4-(methylsulfonyl)phenyl]propanoic acid > (S1632) 387350-46-1 > (S1632) AC; PP > (S1632) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 4.3375 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 3 2 0 0 0 0 11 2 2 0 0 0 0 12 9 2 0 0 0 0 13 6 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 6 12 1 0 0 0 0 13 15 1 0 0 0 0 M END > (S1634) S1634 > (S1634) 3-(1-naphthyl)propanoic acid > (S1634) 3243-42-3 > (S1634) AC; PP > (S1634) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 8.4917 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 17 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 9 1 0 0 0 0 18 16 1 0 0 0 0 6 2 1 0 0 0 0 15 16 2 0 0 0 0 M END > (S1635) S1635 > (S1635) 3-(4'-methyl-1,1'-biphenyl-4-yl)propanoic acid > (S1635) 893641-34-4 > (S1635) AC; BP; PP > (S1635) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 8.4917 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -6.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 12 1 1 0 0 0 0 13 8 2 0 0 0 0 14 7 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 2 5 2 0 0 0 0 14 10 2 0 0 0 0 M END > (S1636) S1636 > (S1636) 3-(4'-fluoro-1,1'-biphenyl-4-yl)propanoic acid > (S1636) 893641-10-6 > (S1636) AC; FL; PP > (S1636) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 8.4917 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -6.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 12 1 1 0 0 0 0 13 8 2 0 0 0 0 14 7 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 2 5 2 0 0 0 0 14 10 2 0 0 0 0 M END > (S1637) S1637 > (S1637) 3-(4'-chloro-1,1'-biphenyl-4-yl)propanoic acid > (S1637) 893641-18-4 > (S1637) AC; HC; PP > (S1637) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.4292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 9 1 0 0 0 0 15 1 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 11 1 0 0 0 0 11 17 2 0 0 0 0 9 12 1 0 0 0 0 M END > (S1638) S1638 > (S1638) 3-(3'-methyl-1,1'-biphenyl-4-yl)propanoic acid > (S1638) 893641-38-8 > (S1638) AC; BP; PP > (S1638) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 3.0250 -3.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8500 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -3.5875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 14 11 1 0 0 0 0 M END > (S1639) S1639 > (S1639) 3-[4-(trifluoromethyl)phenyl]propanoic acid > (S1639) 53473-36-2 > (S1639) AC; FL; PP > (S1639) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 4.2542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -4.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 11 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 4 8 1 0 0 0 0 M END > (S1640) S1640 > (S1640) 3-(2,3,4-trimethoxyphenyl)propanoic acid > (S1640) 33130-04-0 > (S1640) AC; PP > (S1640) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 5.4917 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S1641) S1641 > (S1641) 3-(2,4,6-trimethoxyphenyl)propanoic acid > (S1641) 74737-05-6 > (S1641) AC; PP > (S1641) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.0292 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.9375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 12 1 0 0 0 0 11 10 2 0 0 0 0 12 7 2 0 0 0 0 11 5 1 0 0 0 0 M END > (S1728) S1728 > (S1728) 3-(3-bromophenyl)propanoic acid > (S1728) 42287-90-1 > (S1728) AC; HA; PP > (S1728) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.1333 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -2.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -4.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 6 12 2 0 0 0 0 M END > (S1738) S1738 > (S1738) 3-(3-chloro-4-fluorophenyl)propanoic acid > (S1738) 881190-93-8 > (S1738) AC; FL; HA; PP > (S1738) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.4417 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 6 10 2 0 0 0 0 M END > (S1741) S1741 > (S1741) 3-(3,4-dimethylphenyl)propanoic acid > (S1741) 25173-76-6 > (S1741) AC; PP > (S1741) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 6 12 2 0 0 0 0 M END > (S1742) S1742 > (S1742) 3-(4-chloro-3-fluorophenyl)propanoic acid > (S1742) 881189-65-7 > (S1742) AC; FL; HA; PP > (S1742) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -2.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 10 15 2 0 0 0 0 M END > (S1743) S1743 > (S1743) 3-[4-chloro-3-(trifluoromethyl)phenyl]propanoic acid > (S1743) 900027-15-8 > (S1743) AC; FL; HA; PP > (S1743) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S1744) S1744 > (S1744) 3-(3-fluoro-4-methylphenyl)propanoic acid > (S1744) 881189-62-4 > (S1744) AC; FL; PP > (S1744) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 12 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S1745) S1745 > (S1745) 3-(4-fluoro-3-methylphenyl)propanoic acid > (S1745) 881189-64-6 > (S1745) AC; FL; PP > (S1745) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -4.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 13 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S1746) S1746 > (S1746) 3-(4-fluoro-3-methoxyphenyl)propanoic acid > (S1746) 864960-96-3 > (S1746) AC; FL; PP > (S1746) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.3167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 12 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S1747) S1747 > (S1747) 3-(4-chloro-3-methylphenyl)propanoic acid > (S1747) 1086386-05-1 > (S1747) AC; HA; PP > (S1747) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.1125 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.2625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.9708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -3.5667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 11 1 0 0 0 0 6 2 1 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 6 10 2 0 0 0 0 M END > (S1763) S1763 > (S1763) 3-[5-bromo-2-(difluoromethoxy)phenyl]propanoic acid > (S1763) 1086386-07-3 > (S1763) AC; FL; HA; PP > (S1763) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4250 0.2083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 12 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 3 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 14 11 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1791) S1791 > (S1791) 3-(4-bromo-2-nitrophenyl)propanoic acid > (S1791) 1086386-16-4 > (S1791) AC; HA; NT; PP > (S1791) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 8.8292 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 10 2 0 0 0 0 7 1 1 0 0 0 0 8 16 2 0 0 0 0 9 1 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 19 2 0 0 0 0 18 17 1 0 0 0 0 19 10 1 0 0 0 0 18 4 2 0 0 0 0 15 8 1 0 0 0 0 M END > (S1856) S1856 > (S1856) 3-[3-(4-fluorophenoxy)phenyl]propanoic acid > (S1856) 1096770-87-4 > (S1856) AC; FL; PP > (S1856) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.3750 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -3.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 9 4 1 0 0 0 0 M END > (S1875) S1875 > (S1875) 3-(4-aminophenyl)propanoic acid > (S1875) 2393-17-1 > (S1875) AC; AM; PP > (S1875) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0875 -3.7417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -3.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0875 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 10 13 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S1876) S1876 > (S1876) 3-(4-nitrophenyl)propanoic acid > (S1876) 16642-79-8 > (S1876) AC; NT; PP > (S1876) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 8.4000 -5.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0750 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -6.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 6 2 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 3 2 1 0 0 0 0 10 7 1 0 0 0 0 M END > (S1877) S1877 > (S1877) 3-(2,3,3-trimethyl-3H-indol-5-yl)propanoic acid > (S1877) 1072069-91-0 > (S1877) AC; HC; PP > (S1877) true $$$$ -ISIS- 11270914432D 14 13 0 0 0 0 0 0 0 0999 V2000 7.7500 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -7.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 12 2 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 5 11 1 0 0 0 0 M END > (S1884) S1884 > (S1884) 3-(4-hydrazinophenyl)propanoic acid hydrochloride > (S1884) 105323-52-2 > (S1884) AC; AM; PP > (S1884) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.1042 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 6 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 12 7 2 0 0 0 0 M END > (S1888) S1888 > (S1888) 3-(4-cyanophenyl)propanoic acid > (S1888) 42287-94-5 > (S1888) AC; PP > (S1888) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.7500 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 10 6 2 0 0 0 0 M END > (S1955) S1955 > (S1955) 3-(4-formylphenyl)propanoic acid > (S1955) 34961-64-3 > (S1955) AC; AK; PP > (S1955) true $$$$