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210 SMILES Strings for Beta-glucosidase

Compound NameSMILES String
BDBM18351 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
BDBM18355 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18356 CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18357 CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18358 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50104304 C[C@@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
BDBM50104301 C[C@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
BDBM50104303 OC1CNC(CNCc2ccco2)C1O
BDBM50104305 OC1CNC(CNCn2ccnc2)C1O
BDBM50104307 OC1CNC(CNCc2ccccc2)C1O
BDBM50104308 CC(=O)N(CC1NCC(O)C1O)Cc1ccccc1
BDBM50104295 CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1
BDBM50104296 OC(O)CC1NCC(O)C1O
BDBM50104300 OC1CNC(CNC2CCCC2)C1O
BDBM50104302 OC1CNC(CNCC2CCN(Cc3ccccc3)CC2)C1O
BDBM50156353 CCCCCCC1NC(CO)C(O)C(O)C1O
BDBM50156354 CCCCCCN1CC(O)C(O)C(O)C1CO
BDBM50156356 CCCCCCCCC1NC(CO)C(O)C(O)C1O
BDBM50156357 CCCCCCCCCN1CC(O)C(O)C(O)C1CO
BDBM50156359 CCCCCCCCN1CC(O)C(O)C(O)C1CO
BDBM50156360 CCCCCCCCCC1NC(CO)C(O)C(O)C1O
BDBM50156361 CCCN1CC(O)C(O)C(O)C1CO
BDBM50163440 OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50163445 OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O
BDBM50182798 O[C@H]1CNC[C@@H](O)[C@@H]1O |r|
BDBM50182799 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
BDBM50182801 OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
BDBM50182793 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50182794 CN(C)c1ccc(cc1)-c1cnc(o1)-c1ccc(cc1)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50182796 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50186732 C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
BDBM50186733 C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
BDBM50186734 OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
BDBM50186735 OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
BDBM50186736 OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
BDBM50185229 CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1
BDBM50185227 CCCCCCCCCCC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1
BDBM50240725 OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
BDBM50242627 CCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50242628 CCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50279832 OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
BDBM50279833 OC[C@H]1OC[C@@H](O)[C@H]1O
BDBM50279834 OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
BDBM50279835 OC[C@H]1OC[C@@H](O)[C@@H]1O
BDBM50279836 O[C@@H]1COC[C@H]1O
BDBM50279837 O[C@H]1COC[C@@H](O)[C@@H]1O
BDBM50279839 NCCc1cn(cn1)C(=O)c1ccccc1
BDBM50292389 OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
BDBM50299750 N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299751 CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299752 OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19|
BDBM50299753 CCCC(=O)N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299754 OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:23:15:18:22.21.20,23:21:15.16.24:18,20:19:16:22.21.23,20:21:16:24.18.19,14:15:18:22.21.20|
BDBM50299749 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
BDBM50308672 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 |r|
BDBM50308673 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1 |r|
BDBM50312530 CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO |r|
BDBM50312531 OC[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50312525 OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50312526 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50312527 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50312528 CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
BDBM50312529 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50335393 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335394 CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335395 CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335396 CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335397 CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335398 CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335399 CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335381 CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335382 CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335383 CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335384 CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335385 CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335386 CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335387 CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335388 CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335389 CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335390 CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335391 CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335392 CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50350760 OC[C@@H]1NCC[C@@H](O)[C@H]1O |r|
BDBM50371431 COC(=O)CCCCCNC(=O)CCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50371432 COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50371433 COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50379039 CCCCN1CC[C@@H](O)[C@@H](O)[C@H]1CO |r|
BDBM50379040 CCCCN1CC=C[C@H](O)[C@@H]1CO |r,c:6|
BDBM50379041 OC[C@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379042 OC[C@H]1NCCC[C@@H]1O |r|
BDBM50379043 CCCCN1CCC[C@H](O)[C@H]1CO |r|
BDBM50379044 OC[C@@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379045 OC[C@H]1NCCC[C@H]1O |r|
BDBM50379046 CCCCN1CCC[C@@H](O)[C@H]1CO |r|
BDBM50379047 OC[C@@H]1NCCC[C@H]1O |r|
BDBM50379048 CCCCN1CCC[C@@H](O)[C@@H]1CO |r|
BDBM50379049 OC[C@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379050 OC[C@@H]1NCCC[C@@H]1O |r|
BDBM50379051 OC[C@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379052 CCCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50379053 OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379023 OC[C@@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379054 OC[C@H]1NCC[C@@H](O)[C@H]1O |r|
BDBM50379055 OC[C@@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379056 CCCCN1CC[C@@H](O)[C@@H](O)[C@@H]1CO |r|
BDBM50379057 OC[C@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379058 CCCCN1CCC[C@H](O)[C@@H]1CO |r|
BDBM50379059 OC[C@H]1NCC=C[C@@H]1O |r,c:5|
BDBM50379060 OC[C@H]1NCC[C@H](O)[C@H]1O |r|
BDBM50379061 CCCCN1CC=C[C@H](O)[C@H]1CO |r,c:6|
BDBM50379062 OC[C@@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379063 OC[C@H]1NCC=C[C@H]1O |r,c:5|
BDBM50379064 CCCCN1CC=C[C@@H](O)[C@H]1CO |r,c:6|
BDBM50379065 OC[C@@H]1NCC=C[C@H]1O |r,c:5|
BDBM50379066 CCCCN1CC=C[C@@H](O)[C@@H]1CO |r,c:6|
BDBM50379067 OC[C@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379068 OC[C@@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50379069 OC[C@@H]1NCC=C[C@@H]1O |r,c:5|
BDBM50379024 OC[C@@H]1NCC[C@@H](O)[C@@H]1O |r|
BDBM50379025 CCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50379026 OC[C@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379027 CCCCN1CC[C@H](O)[C@H](O)[C@H]1CO |r|
BDBM50379028 OC[C@@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379029 CCCCN1CC[C@H](O)[C@@H](O)[C@H]1CO |r|
BDBM50379030 OC[C@@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379031 OC[C@@H]1NCC[C@H](O)[C@H]1O |r|
BDBM50379032 CCCCN1CC[C@H](O)[C@@H](O)[C@@H]1CO |r|
BDBM50379033 OC[C@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379034 OC[C@@H]1NCC[C@H](O)[C@@H]1O |r|
BDBM50379035 CCCCN1CC[C@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50379036 OC[C@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379037 C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50379038 O[C@H]1CN(CCCCCOCC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
BDBM50403869 CC[C@H]1NC[C@H](O)[C@@H]1O |r|
BDBM50402977 OCC(O)[C@H]1NC[C@H](O)[C@@H]1O |r|
BDBM50402978 O[C@H]1CNC[C@H]1O |r|
BDBM50018016 O[C@@H]1CN[C@H](C#N)[C@H](O)[C@H]1O |r|
BDBM50018017 OC[C@H]1N[C@H](C#N)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50018018 CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50028174 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cn1)-c1ccccc1 |r|
BDBM50028181 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
BDBM50028183 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
BDBM50028206 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r|
BDBM50028208 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
BDBM50028211 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:22:23:27:21.26.20,26:25:28:22.21.20,26:21:28:25.27.24,THB:22:21:27:28.23.24|
BDBM50028216 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12 |r|
BDBM50028220 Cc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028221 Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028224 COc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028232 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(Cl)cc1 |r|
BDBM50028235 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCOc2c1 |r|
BDBM50028244 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
BDBM50028252 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028188 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 |r,wU:5.5,2.1,wD:7.7,3.3,TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(6.64,-8.49,;5.33,-9.31,;5.38,-10.85,;4.07,-11.65,;2.71,-10.93,;4.12,-13.19,;2.81,-13.99,;5.47,-13.92,;5.51,-15.46,;6.78,-13.11,;6.74,-11.57,;8.05,-10.76,;9.41,-11.49,;10.72,-10.68,;12.07,-11.41,;13.38,-10.6,;14.74,-11.33,;16.05,-10.52,;17.4,-11.25,;17.41,-12.73,;16.21,-14.01,;17.71,-13.59,;19.12,-14.15,;20.13,-12.88,;18.74,-13.22,;20.14,-11.35,;18.75,-10.77,;17.71,-12,)|
BDBM50028173 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
BDBM50028175 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028176 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028177 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028178 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028179 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
BDBM50028180 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
BDBM50028182 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
BDBM50028184 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50028185 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
BDBM50028186 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50028187 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[C@H](C)CCCC(C)C |r,t:9|
BDBM50028189 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#6]-[#8] |r|
BDBM50028203 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 |r|
BDBM50028204 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r|
BDBM50028205 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12 |r|
BDBM50028207 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028209 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
BDBM50028210 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 |r,TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50028212 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 |r,TLB:24:23:26:19.20.18,24:19:26:25.23.22,20:21:25:19.18.24,THB:20:19:25:21.26.22|
BDBM50028213 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)[C@H](C)CCCC(C)C |r,t:9|
BDBM50028214 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:7.7,2.1,3.3,TLB:17:18:20:23.22.24,THB:25:23:20:18.26.27,25:26:20:23.22.24,18:26:22:20.24.19,18:19:22:25.26.27,(4.71,-20.78,;3.4,-21.6,;3.45,-23.14,;2.14,-23.95,;.78,-23.23,;2.19,-25.49,;.87,-26.3,;3.53,-26.22,;3.58,-27.76,;4.85,-25.41,;4.81,-23.86,;6.12,-23.06,;7.48,-23.78,;8.79,-22.98,;10.15,-23.71,;11.47,-22.9,;12.82,-23.63,;14.14,-22.82,;15.49,-23.55,;16.84,-23.07,;18.23,-23.64,;18.22,-25.17,;17.21,-26.45,;15.8,-25.89,;15.8,-24.3,;14.3,-26.31,;15.5,-25.04,;16.82,-25.52,)|
BDBM50028215 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r|
BDBM50028217 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r|
BDBM50028218 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028219 Cc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028222 COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028223 COc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50028225 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C#N |r|
BDBM50028226 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(c1)C#N |r|
BDBM50028228 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1C#N |r|
BDBM50028229 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50028230 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r|
BDBM50028231 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1F |r|
BDBM50028233 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
BDBM50028234 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50028236 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCOc2c1 |r|
BDBM50028237 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCCOc2c1 |r|
BDBM50028238 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccncc1 |r|
BDBM50028239 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccnc1 |r|
BDBM50028240 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cncnc1 |r|
BDBM50028241 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccnc(F)c1 |r|
BDBM50028242 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)nc1 |r|
BDBM50028243 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
BDBM50028248 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028249 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028250 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
BDBM50028251 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
BDBM50028253 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028254 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
BDBM50028255 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
BDBM50028256 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
BDBM50028257 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
BDBM50028258 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028259 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-1-[#6]-[#8] |r|
BDBM50028260 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 |r|