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151 SMILES Strings for ADRB2

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22913 NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM25749 CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
BDBM25752 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
BDBM25753 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM25755 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
BDBM25756 COCCc1ccc(OCC(O)CNC(C)C)cc1
BDBM25758 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
BDBM25760 CC(C)NCC(O)c1ccc2ccccc2c1
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM25762 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
BDBM25764 CC(C)NCC(O)COc1ccccc1CC=C
BDBM25768 CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
BDBM25769 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
BDBM25770 CC(C)(C)NCC(O)c1cc(O)cc(O)c1
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM27958 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM60973 CC(C)NC[C@@H](O)COc1cccc2ccccc12
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM82472 CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM82437 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
BDBM81957 Cc1cccc2ccc(nc12)N1CCNCC1
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81881 COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |r|
BDBM81882 COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
BDBM81884 COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 |r|
BDBM81885 CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
BDBM81886 CC(C)CNCC(O)COc1cccc2ccccc12
BDBM81887 COc1ccc(OC)c(c1)[C@@H](O)[C@H](C)NC(C)(C)C |r|
BDBM81447 CCCc1ccccc1OCC(O)CNC(C)C
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86198 N[C@H]1CCSC1=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86202 NC(CCS)C(O)=O
BDBM86203 NC(CS)C(O)=O
BDBM86205 N[C@@H]1CCSC1=O |r|
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM84950 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM84951 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85195 CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
BDBM85098 [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
BDBM85190 NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86757 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM92678 CC(C)(C)NCC(O)c1ccccc1
BDBM92679 CC(C)NCC(O)c1cccc(O)c1
BDBM92680 CC(C)NCC(O)c1ccc(O)cc1
BDBM50000496 Oc1ccc(cc1O)C1(O)CCCNC1
BDBM50000497 CC(C)N1CCCC(O)(C1)c1ccc(O)c(O)c1
BDBM50000498 N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000499 CC(C)N1CCOC(C1)c1ccc(O)c(O)c1
BDBM50000501 CC(C)NC1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000502 Oc1ccc(cc1O)C1CNCCO1
BDBM50000503 N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50000504 CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50005118 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
BDBM50007518 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
BDBM50007534 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
BDBM50010891 NCC1OCCc2c(O)c(O)ccc12
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50010685 Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
BDBM50014407 C1CN(CCN1)c1ccc2ccccc2n1
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50028091 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
BDBM50026853 [#6]C([#6])([#6])[#7]-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
BDBM50026852 CC(C)NCC(O)COc1ccc(C)c2CCCc12
BDBM50026044 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
BDBM50026045 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
BDBM50026051 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
BDBM50026053 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
BDBM50026059 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
BDBM50036835 CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
BDBM50036836 CC\C=N\OCC(O)CNC(C)C
BDBM50036837 CCCO\N=C\C(O)CNC(C)C
BDBM50036838 C\C=N\OCC(O)CNC(C)(C)C
BDBM50036839 CCO\N=C\C(O)CNC(C)C
BDBM50036840 CC\C=N\OCC(O)CNC(C)(C)C
BDBM50036841 CCO\N=C\C(O)CNC(C)(C)C
BDBM50036842 CCCO\N=C\C(O)CNC(C)(C)C
BDBM50036843 C\C=N\OCC(O)CNC(C)C
BDBM50035398 CN1CCC[C@H]1c1cc(C)no1 |r|
BDBM50041913 CC(C)NCC1OCCc2c(O)c(O)ccc12
BDBM50041914 NCC1OCCc2cc(O)c(O)cc12
BDBM50041915 CC(C)NCC1OCCc2cc(O)c(O)cc12
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50056101 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50094670 CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50160807 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50169785 CC(C)NCC(O)COc1ccccc1
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50240370 CC(C)NCC(O)COc1ccccc1OCC=C
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50242259 [#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
BDBM50241366 CC(C)NC[C@H](O)COc1cccc(C)c1 |r|
BDBM50295572 CC(C)NCC(O)c1cc(O)cc(O)c1
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50367111 [#6]C([#6])([#6])[#7]-[#6]-[#6@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
BDBM50367112 [#6]C([#6])([#6])[#7]-[#6]-[#6@@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12 |r|
BDBM50405521 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
BDBM50421715 CC(C)(C)NCC(O)c1ccc(O)c(N)c1
BDBM50421716 CC(C)NC[C@H](O)COc1ccc(O)cc1
BDBM50421717 CC(C)(C)NCC(O)c1ccccc1Cl
BDBM50421718 CC(C)NCC(O)c1ccc(O)c(N)c1
BDBM50421719 CC(C)NCC(O)COc1cc(C)cc(C)c1
BDBM50421720 CC(C)NCC(O)c1ccc(cc1)[N+]([O-])=O
BDBM50421721 CNc1cc(ccc1O)C(O)CNC(C)(C)C
BDBM50421722 CC(C)NCC(O)COc1ccccc1OCC#C
BDBM50421723 CC(C)NCC(O)c1ccc(O)c(CO)c1
BDBM50421724 CC(C)NCC(O)COc1ccccc1C1CC1
BDBM50421725 CCC(C)c1cccc(OCC(O)CNC(C)C)c1
BDBM50421726 CC(C)NCC(O)COc1ccccc1CO
BDBM50421727 CC(C)(C)NCC(O)c1ccc(O)c(c1)C(N)=O
BDBM50421728 CC(C)(C)NCC(O)c1ccc(O)c(O)c1
BDBM50421729 CC(C)NCC(O)COc1ccccc1C
BDBM50421730 CC(C)NCC(O)COc1ccccc1C#N
BDBM50421731 CC(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
BDBM50421732 CC(C)(C)NCC(O)c1cc(Cl)c(O)c(Cl)c1
BDBM50421733 CC(C)(C)NCC(O)c1ccc(O)cc1