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91 SMILES Strings for Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit

Compound NameSMILES String
BDBM10759 CC(=O)OCC[N+](C)(C)C
BDBM50452053 Clc1ccc(cn1)C1CC2CCC1N2CCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,24:22:17:20.19,THB:4:7:13:11.10|
BDBM50452055 Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
BDBM82070 CN1CCC[C@H]1c1cccnc1 |r|
BDBM86544 CN1CCCC1c1cncc(c1)C#C
BDBM50006612 Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)|
BDBM50006614 Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)|
BDBM50006616 Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)|
BDBM50006629 [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
BDBM50006633 COc1cc2CCN3CCCC3c2cc1OC
BDBM50006635 COc1cc2C3CCCN3CCc2cc1O
BDBM50006639 COc1cc2CN(C)CCc2cc1O
BDBM50452054 Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
BDBM50452056 Clc1ccc(cn1)C1CC2CCC1N2CCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:23:21:16:19.18,14:13:7.8:11.10,THB:4:7:13:11.10,15:16:21.22:19.18|
BDBM50006613 Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)|
BDBM50006615 Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)|
BDBM50006628 [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
BDBM50006631 [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
BDBM50006632 Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
BDBM50006630 [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
BDBM50006634 C1CC2N(C1)CCc1cc3OCOc3cc21
BDBM50006636 COc1cc2CCN3CCCC3c2cc1O
BDBM50006637 Br.Oc1cc2CCN3CCCC3c2cc1O
BDBM50006640 COc1cc2CCN(C)Cc2cc1O
BDBM50006638 CN1CCc2cc3OCOc3cc2C1
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50014647 CN1CCc2cc(O)c(O)cc2C1
BDBM50014648 COc1cc2CCN(C)Cc2cc1OC
BDBM50014210 CC(N)Cc1c[nH]c2ccccc12
BDBM50026220 C[N+](C)(C)CCO
BDBM50049757 Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50052593 CN1CCC[C@H]1c1cncc(c1)C#C
BDBM50061567 C[N+]1(C)CCN(CC1)c1ccccc1
BDBM50071366 COc1cc2CCC3CCNC3c2cn1
BDBM50088438 C1CNCCN(C1)c1cccnc1
BDBM50100707 Fc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
BDBM50100713 Nc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
BDBM50100715 Brc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
BDBM50100717 C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0|
BDBM50137787 OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
BDBM50143281 Ic1cncc(O[C@H]2CCN2)c1
BDBM50143282 O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
BDBM50216347 C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3|
BDBM50322508 CC1NC(C)(C)COC1(O)c1ccccn1
BDBM50322512 CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
BDBM50322513 CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
BDBM50322514 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1 |r|
BDBM50322509 CC1NC(C)(C)COC1(O)c1cccnc1
BDBM50322510 C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
BDBM50322511 C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
BDBM50322515 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
BDBM50322516 CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
BDBM50322517 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1 |r|
BDBM50322518 CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
BDBM50322519 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1 |r|
BDBM50322520 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50322524 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)cc1 |r|
BDBM50322525 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O |r|
BDBM50322526 COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
BDBM50322530 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1 |r|
BDBM50322531 C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r|
BDBM50322532 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
BDBM50322521 COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
BDBM50322522 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1 |r|
BDBM50322523 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
BDBM50322527 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1 |r|
BDBM50322528 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r|
BDBM50322529 C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r|
BDBM50341207 CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
BDBM50341208 CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
BDBM50382474 OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|
BDBM50400739 Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1 |r|
BDBM50428079 Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1 |r|
BDBM50428080 Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF |r|
BDBM50428081 Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
BDBM50428082 CCCCC#Cc1cnc(C)c(OC[C@H]2CCN2)c1 |r|
BDBM50428083 CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1 |r|
BDBM50428084 CCCCC#Cc1cnc(C)c(OC[C@H]2CCCN2)c1 |r|
BDBM50428085 CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1 |r|
BDBM50428086 Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl |r|
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM221048 C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
BDBM50210332 [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCN(C)CC1 |r|
BDBM50210333 CN1CCCN(CC1)c1cncc(c1)-c1cc(CCO)no1
BDBM50210334 [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r|
BDBM50210335 [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r|
BDBM50210336 [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
BDBM50210337 OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
BDBM50210338 [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|