0 B19R1.276515 CC(C)c1cccc(c1NCCS(=O)(=O)O)C(C)C 1fe05c8e2cc98892328c6cb3969f2e75 [0,0,0,0,0,0|3,0,1]=4 1 B19R1.276515 CC(C)c1cccc(c1NCOS(=O)(=O)Cl)C(C)C 693baeb56b79214c29778948a1b048ce [0,0,0,0,0,0|3,0,1]=4 2 B19R1.276515 CC(C)c1cccc(c1OCCC(C)(C)O)C(C)C bea2c7803c439e89e0d6633acef47798 [0,0,0,0,0,0|4,0,0]=4 3 B19R1.276515 CC(C)c1cccc(c1OCCS(=O)(=O)C)C(C)C a1059839058c3aef10f2bbd063a69079 [0,0,0,0,0,0|3,0,1]=4 4 B19R1.276515 CC(C)c1cccc(c1OCCS(=O)(=O)O)C(C)C 754989ce5e12ee07c6bd32736dd5ddae [0,0,0,0,0,0|2,0,1]=3 5 B19R1.276515 CC(C)c1cccc(c1OCOS(=O)(=O)Cl)C(C)C 6b2493c6eb75dfe2b0168073c75cb2bc [0,0,0,0,0,0|2,0,1]=3 6 B18R1.20730 CC(=O)CCOc1c(cccc1C(C)C)C(C)C 935d613317400bf53826d92ad7f69d23 [1,0,0,0,0,0|3,0,0]=4 7 B18R1.20730 CC(=O)OCNc1c(cccc1C(C)C)C(C)C 21633d2275a1b24988d3833f4fa3023e [1,0,0,0,0,0|3,0,0]=4 8 B18R1.20730 CC(=O)OCOc1c(cccc1C(C)C)C(C)C 942c52158d7b1cacf0e19936a77153f9 [1,0,0,0,0,0|2,0,0]=3 9 B18R1.20730 CC(C)c1cccc(c1NCCS(=O)O)C(C)C a5ca21ab762bd4a88e26d8ad612a7b44 [1,0,0,0,0,0|3,0,0]=4 10 B18R1.20730 CC(C)c1cccc(c1OCCC(=O)N)C(C)C 3b114f69df3f772aac7d9a02bded3474 [1,0,0,0,0,0|3,0,0]=4 11 B18R1.20730 CC(C)c1cccc(c1OCCS(=O)C)C(C)C fb6a7d56b353eadbf6e271da502942ac [1,0,0,0,0,0|3,0,0]=4 12 B18R1.20730 CC(C)c1cccc(c1OCSC(=O)N)C(C)C 8c90687eeb2025d9feb943211a7bb615 [1,0,0,0,0,0|2,1,0]=4 13 B20R1.89914 CC(C)c1cc(cc(c1OCCS(=O)(=O)O)C(C)C)Cl e8bc6fd2beb1abb3a9903e2ec82c8c83 [0,1,0,0,0,0|2,0,1]=4 14 B20R1.89914 CC(C)c1cc(cc(c1OCCS(=O)(=O)O)C(C)C)I e89eca424e92ba3d972ac6ec3893b7c0 [0,1,0,0,0,0|2,0,1]=4 15 B20R1.89914 Cc1cc(c(c(c1)C(C)C)OCCS(=O)(=O)O)C(C)C dc3afefceb9dcba784a95961b9bdccf8 [0,1,0,0,0,0|2,0,1]=4 16 B18R1.172726 CC(C)c1cccc(c1OCC(C)(C)O)C(C)C 83a5160401839d901427a60b1b179758 [0,0,0,0,1,0|3,0,0]=4 17 B18R1.172726 CC(C)c1cccc(c1OCS(=O)(=O)C)C(C)C 2c1598d6f48c84b85a952ded79e02782 [0,0,0,0,1,0|2,0,1]=4 18 B20R1.427298 CC(C)c1cccc(c1COCCS(=O)(=O)O)C(C)C 2ab7dfee06de178bef19aa9f0bcaa1da [0,0,0,0,0,1|2,0,1]=4 19 B20R1.427298 CC(C)c1cccc(c1NCCOS(=O)(=O)O)C(C)C 29ae6cf5a82b0b467076c0306c907a98 [0,0,0,0,0,1|2,0,1]=4 20 B20R1.427298 CC(C)c1cccc(c1OCCCS(=O)(=O)O)C(C)C d63f0cc27a6ec8344a98787028f68ff3 [0,0,0,0,0,1|2,0,1]=4 21 B20R1.427298 CC(C)c1cccc(c1OCCOS(=O)(=O)C)C(C)C ce294333fb767ffab3842d218bfb6a0a [0,0,0,0,0,1|2,0,1]=4 22 B17R1.5178 CC(C)c1cccc(c1OCCC=O)C(C)C 2f14f8202f17e8190bf0dca25427a443 [2,0,0,0,0,0|2,0,0]=4 23 B17R1.5178 CCOCOc1c(cccc1C(C)C)C(C)C edd2985a9227fa208c7f45c70a3300f4 [2,0,0,0,0,0|2,0,0]=4 24 B19R1.43593 CCC(=O)OCOc1c(cccc1C(C)C)C(C)C c20f2e80ed7a5f2e17b9e26c8d9bd5cb [1,1,0,0,0,0|2,0,0]=4 25 B19R1.43593 COC(=O)CCOc1c(cccc1C(C)C)C(C)C f3b460f35d0717c1568d85a471c78227 [1,1,0,0,0,0|2,0,0]=4 26 B19R1.43593 COC(=O)OCOc1c(cccc1C(C)C)C(C)C 7edc9d1ef62a4992325e60eb4355e1d2 [1,1,0,0,0,0|1,0,0]=3 27 B19R1.68945 CC(=O)OCOc1c(cc(cc1C(C)C)Br)C(C)C 74f54067217490c830cf62bbe3e5d10f [1,1,0,0,0,0|2,0,0]=4 28 B19R1.68945 CC(=O)OCOc1c(cc(cc1C(C)C)C)C(C)C 7b520e140e1429ad1352495c4a9fb3da [1,1,0,0,0,0|2,0,0]=4 29 B19R1.68945 CC(=O)OCOc1c(cc(cc1C(C)C)Cl)C(C)C 897a4b14557b8fd6009afa4be62996da [1,1,0,0,0,0|2,0,0]=4 30 B19R1.68945 CC(=O)OCOc1c(cc(cc1C(C)C)I)C(C)C 7dfe43b2fa9efdf4f72e6b03c2779abd [1,1,0,0,0,0|2,0,0]=4 31 B19R1.281694 C=C(COc1c(cccc1C(C)C)C(C)C)C(=O)O 35b945a99155e429129ec70d2138700a [1,1,0,0,0,0|2,0,0]=4 32 B17R1.102324 CC(C)c1cccc(c1NCC(=O)O)C(C)C 9b20597e35ccd79f15e0b53db4225285 [1,0,0,0,1,0|2,0,0]=4 33 B17R1.102324 CC(C)c1cccc(c1OCC(=O)N)C(C)C 7dfce7600b7d7fed5e062fbfee376d3f [1,0,0,0,1,0|2,0,0]=4 34 B17R1.102324 CC(C)c1cccc(c1OCC(=O)O)C(C)C d6ead8c50a760e82680ea7fdae143ef6 [1,0,0,0,1,0|1,0,0]=3 35 B17R1.102324 CC(C)c1cccc(c1OC[N+](=O)[O-])C(C)C be247730716295788f7534df183b25ee [1,0,0,0,1,0|0,1,1]=4 36 B19R1.49081 CC(=O)OCCOc1c(cccc1C(C)C)C(C)C 21d9f1b8dcbc83ea0b80940f7606f016 [1,0,0,0,0,1|2,0,0]=4 37 B19R1.49081 CC(=O)OCOCc1c(cccc1C(C)C)C(C)C 10efe359a67cc249ba8c08a907449fd6 [1,0,0,0,0,1|2,0,0]=4 38 B19R1.49081 CC(C)c1cccc(c1OC/C=C/C(=O)O)C(C)C 3a03008cb1816dde88449a0ebaea8489 [1,0,0,0,0,1|2,0,0]=4 39 B19R1.49081 CC(C)c1cccc(c1OCC=CC(=O)O)C(C)C 022551b5c6a64ba933d7bd94af6b9627 [1,0,0,0,0,1|2,0,0]=4