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324 SMILES Strings for Neuronal acetylcholine receptor subunit alpha-4

Compound NameSMILES String
BDBM8959 CC(=O)SCC[N+](C)(C)C
BDBM10759 CC(=O)OCC[N+](C)(C)C
BDBM10709 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM82070 CN1CCC[C@H]1c1cccnc1 |r|
BDBM81458 COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
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|
BDBM86423 OCC=C1C[N+]2(CC=C)CCC34C2CC1C1=CN2C5C(=CN(C31)c1ccccc41)C1CC3C5(CC[N+]3(CC=C)CC1=CCO)c1ccccc21 |w:2.1,16.18,20.22,41.50,TLB:41:40:30:18.19.32,20:19:30:35.39.40,10:11:13:5.3.4,2:3:13:11.15.22,28:11:13:5.3.4,THB:34:35:30:18.19.32,16:15:13:5.3.4,6:5:13:11.15.22,33:32:30:35.39.40,9:5:13:11.15.22,36:35:30:18.19.32,44:32:30:35.39.40|
BDBM86424 CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
BDBM86425 CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
BDBM86309 CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)|
BDBM86311 O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
BDBM84948 C[N+](C)(C)CC[N+]1(C)Cc2c(C1)c(Cl)c(Cl)c(Cl)c2Cl
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85207 C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
BDBM85224 COC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM91596 Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O |^1:16|
BDBM91598 Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O
BDBM91599 CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
BDBM91600 Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O
BDBM91601 O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
BDBM91602 Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O |TLB:13:16:20.19:23|
BDBM91603 CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 |t:3,TLB:11:12:19:15.16|
BDBM91604 Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O
BDBM91605 Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O
BDBM91606 C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 |^1:14|
BDBM91607 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1 |THB:10:8:1:4.5|
BDBM91608 COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:14:17:24:20.21|
BDBM91609 Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O |TLB:11:14:21:17.18|
BDBM91611 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
BDBM91612 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:10:8:4.5:1|
BDBM91613 COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 |TLB:13:16:19.20:23|
BDBM91614 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:10:8:1:5.4|
BDBM91615 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:10:8:1:5.4|
BDBM91616 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:10:8:4.5:1|
BDBM91617 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
BDBM91618 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:10:8:1:5.4|
BDBM91619 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
BDBM91620 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:10:8:4.5:1|
BDBM91621 Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
BDBM91622 CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
BDBM91623 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:10:8:4.5:1|
BDBM91624 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
BDBM91626 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:9:7:3.4:1|
BDBM91627 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
BDBM91628 COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
BDBM91629 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:9:7:1:4.3|
BDBM91630 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:9:7:1:4.3|
BDBM91631 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:9:7:3.4:1|
BDBM91632 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:9:7:1:4.3|
BDBM91633 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:9:7:1:3.4|
BDBM91634 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:9:7:3.4:1|
BDBM91635 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:9:7:3.4:1|
BDBM91636 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1 |THB:9:7:3.4:1|
BDBM91637 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
BDBM91638 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:9:7:3.4:1|
BDBM91707 Cn1nncc1COc1cc(=O)n(C)c2ccccc12
BDBM91625 CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1 |THB:9:7:3.4:1|
BDBM91610 CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:7:10:13.14:17|
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50004108 CN1CCCC1c1cccnc1
BDBM50005256 COc1cc(CC(C)N)cc(OC)c1OC
BDBM50023330 CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
BDBM50026461 C1CCC(NC1)c1cccnc1
BDBM50026220 C[N+](C)(C)CCO
BDBM50035398 CN1CCC[C@H]1c1cc(C)no1 |r|
BDBM50038416 C[N+](C)(C)CCCCCC[N+](C)(C)C
BDBM50047021 CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
BDBM50049757 Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
BDBM50054820 CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,42.46,36.39,44.48,39.43,wD:28.55,32.34,25.27,31.32,TLB:28:29:32:36.38.39,1:2:47:25.23.24,25:28:42.44:4.2.3,THB:42:48:47:25.23.24,29:28:42.44:4.2.3,2:48:36.35.29:47.44,(3.83,-6.7,;5.61,-4.92,;8.1,-4.92,;7.12,-7.5,;8.22,-6.42,;8.22,-7.94,;7.82,-9.45,;8.61,-10.78,;9.94,-10.01,;8.62,-12.33,;7.29,-13.1,;7.29,-14.64,;8.62,-15.41,;9.95,-14.64,;9.95,-13.1,;11.49,-13.09,;12.9,-13.7,;13.3,-15.19,;13.93,-12.55,;13.14,-11.22,;13.91,-9.88,;11.64,-11.55,;10.86,-10.2,;6.88,-5.65,;6.87,-4.11,;8.21,-3.34,;8.2,-1.8,;6.87,-1.03,;9.54,-4.11,;10.5,-3.18,;10.3,-1.71,;11.64,-1.06,;12.67,-2.15,;14.21,-2.15,;14.96,-3.46,;11.97,-3.45,;12.65,-4.9,;13.98,-5.67,;16.6,-3.1,;16.6,-1.56,;17.69,-.47,;19.02,-1.24,;11.93,-6.28,;12.7,-7.59,;10.46,-6.53,;10.06,-8.01,;11.39,-8.78,;9.55,-5.63,;9.53,-2.57,)|
BDBM50061562 CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11|
BDBM50061565 CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6|
BDBM50061567 C[N+]1(C)CCN(CC1)c1ccccc1
BDBM50061568 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
BDBM50062641 Clc1ccc(OC[C@H]2CCN2)cn1 |r|
BDBM50060582 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
BDBM50088431 C1CNCC(C1)Oc1cccnc1
BDBM50088432 NC(=O)c1cncc(c1)N1CCCNCC1
BDBM50088434 CCSc1ccc(cn1)N1CCCNCC1
BDBM50088438 C1CNCCN(C1)c1cccnc1
BDBM50088442 C1CC(CN1)Oc1cccnc1
BDBM50088443 COCCOc1cncc(c1)N1CCCNCC1
BDBM50088445 COc1ccc(cn1)N1CCCNCC1
BDBM50088448 Oc1cncc(c1)N1CCCNCC1
BDBM50088449 Clc1cncc(c1)N1CCNCC1
BDBM50088450 C=COc1cncc(c1)N1CCCNCC1
BDBM50088451 COc1cncc(c1)C1=CC2CCCC(C1)N2 |t:9|
BDBM50088452 C1CC2CC(=CC(C1)N2)c1cccnc1 |c:4|
BDBM50088453 CCOc1cc(cnc1Br)N1CCCNCC1
BDBM50088454 Brc1ccc(cn1)N1CCCNCC1
BDBM50088456 COc1cc(cnc1Cl)N1CCCNCC1
BDBM50088457 COc1cncc(c1)N1CCCNCC1
BDBM50088458 C1CC2NC1CC(=C2)c1cccnc1 |c:7,TLB:8:6:3:1.0,(15.36,3.68,;16.53,2.97,;15.55,4.31,;15.81,5.85,;14.76,5.01,;13,5.05,;12.74,3.5,;13.71,4.31,;11.4,2.74,;10.07,3.5,;8.74,2.73,;8.74,1.19,;10.07,.42,;11.41,1.19,)|
BDBM50107863 O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
BDBM50121739 C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11|
BDBM50143313 CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |t:4,11|
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|
BDBM50170601 C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3
BDBM50187433 Clc1ncc(cc1Br)N1CCNCC1
BDBM50187434 C=COc1cncc(c1)N1CCNCC1
BDBM50187436 Brc1ccc(cn1)N1CCNCC1
BDBM50187437 Clc1cncc(c1)N1CCCNCCC1
BDBM50187438 C\C=C/Oc1cncc(c1)N1CCCNCC1
BDBM50187439 COc1cncc(c1)N1CCCNCCC1
BDBM50187441 Clc1ncc(cc1Br)N1CCCNCC1
BDBM50187442 Brc1ncc(cc1OC=C)N1CCCNCCC1
BDBM50187445 Brc1ccc(cn1)N1CCCNCCC1
BDBM50187447 C1CNCCCN(C1)c1cccnc1
BDBM50187448 COc1cc(cnc1Br)N1CCNCC1
BDBM50187449 Clc1cncc(OC2CCCNC2)c1
BDBM50187451 Cc1ncc(cc1Cl)N1CCNCC1
BDBM50187453 Clc1cc(cnc1Br)N1CCCNCC1
BDBM50187454 Brc1cncc(c1)N1CCCNCCC1
BDBM50187455 Brc1ncc(cc1OC=C)N1CCCNCC1
BDBM50187459 Oc1cc(cnc1I)N1CCCNCC1
BDBM50201047 Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50201048 Brc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201049 Clc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201050 NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201051 COc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201053 Brc1ncc(cc1C#N)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201054 Cc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201055 Cc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201056 [O-][N+](=O)c1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201057 COc1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201058 N#Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50201059 Brc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201060 Clc1ccc(cn1)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201061 Clc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201062 Clc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201064 Brc1ncc(cc1C#N)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201065 CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201066 COc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50201067 ONC(=N)c1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50201068 N#Cc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50201069 C1N[C@H]2CN(CC[C@@H]12)c1cccnc1 |r|
BDBM50201070 C1[C@@H]2CCNC[C@@H]2N1c1cccnc1 |r|
BDBM50201072 COc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50201073 COc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50212288 [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50252631 Clc1ccc(Cn2ccs\c2=N/C(=O)c2cnccn2)cn1
BDBM50264882 CN(Cc1cc(no1)-c1ccccc1Cl)C(=O)C1CCNCC1
BDBM50264883 Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264884 Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1Cl
BDBM50264914 C1CC(CCN1)n1cc(cn1)-c1cc(no1)-c1ccccc1
BDBM50264915 Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1
BDBM50264916 Fc1cccc(Cl)c1-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264917 Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
BDBM50264918 Fc1ccc(Cl)c(c1)-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264919 Fc1ccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c(Cl)c1
BDBM50264920 CCn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
BDBM50264765 Cc1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264797 C1CCC(CC1)c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264798 Clc1ccccc1-c1cc(on1)-c1cnc(s1)C1CCNCC1
BDBM50264799 Cn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
BDBM50264800 CCn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
BDBM50264801 Cn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
BDBM50264761 Fc1cccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c1Cl
BDBM50264762 Clc1cnccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264763 Clc1sccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50264764 Clc1cccc(Cl)c1-c1cc(on1)-c1cnn(c1)C1CCNCC1
BDBM50257890 C1NC2CN(CC12)c1cccnc1
BDBM50257891 Clc1ccc(cn1)N1CCC2(CCN2)C1
BDBM50257892 C1CC2(CCN(C2)c2cccnc2)N1
BDBM50257893 Clc1ccc(cn1)N1CCC2(CCCN2)C1
BDBM50257941 C1CNC2(C1)CCN(C2)c1cccnc1
BDBM50257942 Clc1ccc(cn1)N1CCC2(CCNC2)C1
BDBM50257943 C1CC2(CCN(C2)c2cccnc2)CN1
BDBM50261766 Clc1ccc(cn1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:7:10.11:13|
BDBM50263131 CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccc(F)n1 |r,TLB:8:6:3.4:1|
BDBM50254480 CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
BDBM50254481 CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
BDBM50254482 CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
BDBM50254483 CC(CCOC(N)=O)N(C)C
BDBM50254484 CCNC(=O)OCCC(C)N(C)C
BDBM50254485 CCCNC(=O)OCCC(C)N(C)C
BDBM50254486 CC(CCOC(=O)NCCO)N(C)C
BDBM50261762 Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
BDBM50254597 CC(CCSC(=O)N(C)C)N(C)C
BDBM50254598 CC(CCNC(=O)N(C)C)N(C)C
BDBM50254599 CC(CCNC(=O)Nc1ccccc1)N(C)C
BDBM50254600 CN(C)C(CO)CCOC(=O)N(C)C
BDBM50254601 CN(C)C(CCOC(=O)N(C)C)C1CC1
BDBM50254602 CN(C)C(CCOC(=O)N(C)C)c1ccsc1
BDBM50254603 CN(C)C(CCOC(=O)N(C)C)c1ccccc1
BDBM50254604 CC(CCOC(=O)N(C)CCO)N(C)C
BDBM50254605 CC(CCOC(=O)N(C)c1ccccc1)N(C)C
BDBM50251867 FC(F)(F)C(=O)\N=c1/sccn1Cc1ccc(Cl)nc1
BDBM50251868 Clc1ccc(CN2CCS\C2=N/C#N)cn1
BDBM50254538 CNC(=O)OCCC(C)N(C)C
BDBM50254539 CC(CCCC(=O)N(C)C)N(C)C
BDBM50254540 CNC(=O)\C=C\CC(C)N(C)C
BDBM50254541 CC(C\C=C\C(=O)N(C)C)N(C)C
BDBM50254542 CC(CCOC(=S)N(C)C)N(C)C
BDBM50254543 CC(CCOC(=O)NCCCc1ccccc1)N(C)C
BDBM50247983 CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|
BDBM50248045 C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
BDBM50267844 C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
BDBM50267883 C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
BDBM50278955 C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
BDBM50278956 CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
BDBM50279059 CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|
BDBM50279404 CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
BDBM50278881 C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r|
BDBM50279369 C1NC[C@@H]2CN(C[C@H]12)c1cccnc1 |r|
BDBM50275265 CC(CCOC(=O)N1CCC1)N(C)C
BDBM50275302 C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
BDBM50397934 Fc1ccoc1C(=O)N1CC2CNCC(C2)C1
BDBM50397935 Fc1coc(c1)C(=O)N1CC2CNCC(C2)C1
BDBM50397936 Fc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
BDBM50397886 Brc1coc(c1)C(=O)N1CC2CNCC2C1
BDBM50397887 Brc1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM50397888 Clc1ccoc1C(=O)N1CC2CNCC2C1
BDBM50397937 Cc1ccoc1C(=O)N1CC2CNCC2C1
BDBM50397938 Cc1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM50397889 Clc1coc(c1)C(=O)N1CC2CNCC2C1
BDBM50397890 Clc1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM50397891 Fc1ccoc1C(=O)N1CC2CNCC2C1
BDBM50397942 Brc1ccoc1C(=O)N1CC2CNCC2C1
BDBM50397892 Fc1coc(c1)C(=O)N1CC2CNCC2C1
BDBM50397893 Fc1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM50397895 O=C(N1CC2CNCC(C2)C1)c1ccncc1
BDBM50397896 O=C(N1CC2CNCC2C1)c1ccncc1
BDBM50397899 O=C(N1CC2CNCC(C2)C1)c1ccco1
BDBM50397900 O=C(N1CC2CNCC2C1)c1ccco1
BDBM50397913 Cc1ncoc1C(=O)N1CC2CNCC2C1
BDBM50397915 O=C(N1CC2CNCC2C1)c1ccno1
BDBM50397917 O=C(N1CC2CNCC2C1)c1ccoc1
BDBM50397924 Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
BDBM50397925 O=C(N1CC2CNCC(C2)C1)c1occc1C#N
BDBM50397928 Brc1ccoc1C(=O)N1CC2CNCC(C2)C1
BDBM50397929 Brc1coc(c1)C(=O)N1CC2CNCC(C2)C1
BDBM50397930 Brc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
BDBM50397931 Clc1ccoc1C(=O)N1CC2CNCC(C2)C1
BDBM50397932 Clc1coc(c1)C(=O)N1CC2CNCC(C2)C1
BDBM50397933 Clc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
BDBM50411212 COc1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411213 Cc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411214 N#Cc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
BDBM50411215 COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411216 Brc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411217 COc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411218 C1N[C@@H]2CN(CC[C@H]12)c1cccnc1 |r|
BDBM50411219 Clc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411220 [O-][N+](=O)c1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411221 CCOc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411222 C1[C@H]2CCNC[C@H]2N1c1cccnc1 |r|
BDBM50411223 NC(=O)c1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411225 COc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411226 Clc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411227 COc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411228 Brc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411229 Clc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411230 Clc1ccc(cn1)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411209 Brc1ncc(cc1C#N)N1C[C@H]2CCNC[C@@H]12 |r|
BDBM50411210 Cc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
BDBM50411211 N#Cc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
BDBM50413479 C1CNCCN(C1)c1cnc2ccccc2c1
BDBM50416396 Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1
BDBM50413330 CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1
BDBM50413331 CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1
BDBM50413332 CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1
BDBM141848 COc1cc(on1)C(=O)N1CC2CNCC2C1
BDBM141849 O=C(N1CC2CNCC2C1)c1ccc(o1)C#Cc1ccccc1
BDBM141850 Brc1cc(on1)C(=O)N1CC2CNCC2C1
BDBM141851 COc1coc(C(=O)N2CC3CNCC3C2)c1OC
BDBM141852 Fc1cc(F)cc(c1)-c1coc(c1)C(=O)N1CC2CNCC2C1
BDBM141853 O=C(N1CC2CNCC2C1)c1cc(co1)-c1ccccc1
BDBM141854 O=C(N1CC2CNCC2C1)c1cc(co1)-c1ccoc1
BDBM141855 Cc1cc(no1)C(=O)N1CC2CNCC2C1
BDBM141856 Cc1nocc1C(=O)N1CC2CNCC2C1
BDBM141857 Cc1cc(on1)C(=O)N1CC2CNCC2C1
BDBM141878 Cc1ncoc1C(=O)N1CC2CNCC(C2)C1
BDBM141879 Cc1nocc1C(=O)N1CC2CNCC(C2)C1
BDBM141880 Cc1cc(on1)C(=O)N1CC2CNCC(C2)C1
BDBM141881 O=C(N1CC2CNCC(C2)C1)c1cc(on1)C1CC1
BDBM141882 Nc1coc(c1)C(=O)N1CC2CNCC(C2)C1
BDBM141883 Fc1cc(F)cc(c1)-c1coc(c1)C(=O)N1CC2CNCC(C2)C1
BDBM141884 O=C(N1CC2CNCC(C2)C1)c1cc(co1)-c1ccoc1
BDBM141885 Brc1cc(oc1Br)C(=O)N1CC2CNCC(C2)C1
BDBM141858 Cc1occc1C(=O)N1CC2CNCC2C1
BDBM141859 O=CNc1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM141860 COc1ccoc1C(=O)N1CC2CNCC2C1
BDBM141861 Cc1cc(c(o1)C(=O)N1CC2CNCC2C1)C(F)(F)F
BDBM141862 FC(F)(F)c1coc(c1)C(=O)N1CC2CNCC2C1
BDBM141863 Nc1coc(c1)C(=O)N1CC2CNCC2C1
BDBM141864 Cc1oc(cc1Br)C(=O)N1CC2CNCC2C1
BDBM141865 C=Cc1ccoc1C(=O)N1CC2CNCC2C1
BDBM141866 CCCCC#Cc1coc(c1)C(=O)N1CC2CNCC2C1
BDBM141867 Brc1cc(oc1Br)C(=O)N1CC2CNCC2C1
BDBM141886 O=C(N1CC2CNCC(C2)C1)c1ccon1
BDBM141887 Cc1oc(cc1Br)C(=O)N1CC2CNCC(C2)C1
BDBM141888 COc1ccoc1C(=O)N1CC2CNCC(C2)C1
BDBM141889 O=C(N1CC2CNCC(C2)C1)c1cnco1
BDBM141890 O=C(N1CC2CNCC(C2)C1)c1ccc(o1)C#C
BDBM141891 O=C(N1CC2CNCC(C2)C1)c1ccc(o1)[N+]#[C-]
BDBM141892 Cc1cc(F)c(o1)C(=O)N1CC2CNCC(C2)C1
BDBM141893 O=C(N1CC2CNCC(C2)C1)c1ncco1
BDBM141894 O=C(N1CC2CNCC(C2)C1)c1cc(co1)[N+]#[C-]
BDBM141895 Cc1oncc1C(=O)N1CC2CNCC(C2)C1
BDBM141847 [O-][N+](=O)c1ccc(o1)C(=O)N1CC2CNCC2C1
BDBM141868 O=C(N1CC2CNCC2C1)c1occc1[N+]#[C-]
BDBM141869 O=C(N1CC2CNCC2C1)c1ccon1
BDBM141870 O=C(N1CC2CNCC2C1)c1ccc(o1)C#C
BDBM141871 O=C(N1CC2CNCC2C1)c1ccc(o1)[N+]#[C-]
BDBM141872 Cc1cc(F)c(o1)C(=O)N1CC2CNCC2C1
BDBM141873 FC(F)c1cc(co1)C(=O)N1CC2CNCC2C1
BDBM141874 COc1cc(on1)C(=O)N1CC2CNCC(C2)C1
BDBM141875 Brc1cc(on1)C(=O)N1CC2CNCC(C2)C1
BDBM141876 CC(=O)Nc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
BDBM141877 Cc1cc(no1)C(=O)N1CC2CNCC(C2)C1
BDBM141896 O=C(N1CC2CNCC(C2)C1)c1ccno1
BDBM50047420 CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1