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4527 SMILES Strings for 5-hydroxytryptamine receptor 1A (5-HT1A)

Compound NameSMILES String
BDBM30829 O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1
BDBM30815 Cc1ccc(Oc2ccc(N)cc2)cc1
BDBM30824 Clc1cc(c(Cl)s1)-c1csc(NC(=O)c2cccs2)n1
BDBM30851 CC(=O)c1cccc(NC(=O)c2nccnc2C(O)=O)c1
BDBM31052 CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM30751 C1CN(CCO1)c1cc(ncn1)-n1cccn1
BDBM30994 CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C
BDBM30659 NC(Cc1ccc2nonc2c1)C(O)=O
BDBM30917 Clc1ccc(NC(=O)c2cnn3cccnc23)nc1
BDBM30789 O=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C#N
BDBM31063 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM30904 Cc1cc(cs1)C(=O)NCc1cccnc1
BDBM30946 O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1
BDBM30705 Nc1nc2ccc(OC(F)(F)F)cc2s1
BDBM30734 CN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
BDBM30839 Clc1cccc(CN2CCNC2=O)c1
BDBM30692 Nc1nonc1C(N=O)N1CCCC1
BDBM30723 Cn1c(Cl)nc2n(C)c(=O)n(Cc3cccc(Br)c3)c(=O)c12
BDBM30695 Cn1ncc(N)c1C(=O)Nc1cccc(c1)C(F)(F)F
BDBM30706 CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
BDBM30713 CC(=C)c1nc(N)nc(N)n1
BDBM30976 Cc1sc2nc(SCC=C)nc(N)c2c1C
BDBM30702 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
BDBM31081 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
BDBM30720 CN(C)\C=C1\C(Cc2nc(ccc2C1=O)N(C)C)c1ccccc1
BDBM30958 COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
BDBM30846 COc1ccc(NC(=O)Cn2cccc2)cc1Cl
BDBM31044 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
BDBM30860 Clc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
BDBM30679 COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CC=C)c1=N
BDBM30686 Clc1ccc2c(c1)nc[nH]c2=O
BDBM31023 C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
BDBM30853 NCCc1c[nH]c2ccc(F)cc12
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50443101 CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM10452 C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
BDBM21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
BDBM21369 Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21385 CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21389 Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21370 CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21373 [O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21386 Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
BDBM21372 O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM21387 CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21377 CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21376 NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21380 CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21384 CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21368 COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21392 NCCc1c[nH]c2ccc(cc12)C(N)=O
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21371 Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21382 CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21379 CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21381 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21390 O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
BDBM21378 CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21375 O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
BDBM21391 [O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21367 CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM21383 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
BDBM21374 Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM29644 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM29554 Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
BDBM25746 Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
BDBM29546 COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM25873 CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1
BDBM25876 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM25869 CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
BDBM25871 CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1
BDBM25874 O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12
BDBM25872 CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
BDBM25875 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
BDBM30781 Cc1cc(C)n(n1)-c1nc(NCCO)c2c3CCCCc3sc2n1
BDBM30814 O=C(Cc1c[nH]c2ccccc12)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM22567 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
BDBM30834 Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
BDBM30836 OC(=O)CCCNS(=O)(=O)c1cccs1
BDBM30778 CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
BDBM30796 CCOC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:12|
BDBM30835 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(CC(C)=O)ns1)-c1ccccc1
BDBM30780 CSCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(O)=O
BDBM30857 CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
BDBM30779 Brc1ccc(cc1)C(=O)CN1CCN(Cc2ccccc2)CC1
BDBM30818 Cc1cc(C(=O)CSc2nnc(o2)-c2ccco2)c(C)n1CC1COc2ccccc2O1
BDBM30858 Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C
BDBM30859 Fc1ccc(NC(=O)CCN2CCN(CC2)c2ccccn2)cc1
BDBM30854 C=CCSC(=Nn1cnc2ccccc2c1=O)N1CCCCC1 |w:5.5|
BDBM30855 CN(C)c1ccc(cc1)C1CC(=Nc2ncnn12)c1ccc(Cl)cc1OC(F)F |c:12|
BDBM30776 CC(C)n1c2cc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccco1
BDBM30813 Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C |(1.29,6.71,;2.76,6.24,;4,7.14,;4,8.68,;5.33,9.45,;5.33,10.99,;4,11.76,;2.67,10.99,;1.33,11.76,;,12.53,;2.67,9.45,;1.33,8.68,;6.67,11.76,;8,10.99,;6.67,13.3,;5.33,14.07,;5.33,15.61,;6.67,16.38,;8,15.61,;8,14.07,;9.34,13.3,;5.25,6.24,;6.71,6.71,;4.77,4.77,;5.68,3.53,;5.05,2.12,;5.96,.87,;7.49,1.03,;8.11,2.44,;7.21,3.69,;3.23,4.77,;2.33,3.53,)|
BDBM30856 Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
BDBM30797 CN(C1CCCCC1)c1cc(=O)n2ccccc2n1
BDBM30816 Fc1ccccc1N1CCN(CC1)c1ncnc2n[nH]cc12
BDBM30837 Cc1nn(Cc2ccccc2)c2sc(cc12)C(=O)NCc1cccnc1
BDBM30799 CSc1ncccc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
BDBM30838 Clc1ccccc1C(=NS(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1 |w:8.9|
BDBM30840 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
BDBM30795 COc1ccc(OC)c(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccccc1
BDBM30794 Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
BDBM30833 CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12
BDBM30817 CCn1c(C)nc2cc(ccc12)C(=O)OCCC(F)(F)F
BDBM30819 Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C1CC1
BDBM30777 CCN1CCN(CC1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1
BDBM30798 COCCN1C(=O)C(CC(=O)Nc2ccc(cc2)C(C)=O)SC1=Nc1ccccc1 |w:23.25|
BDBM30803 CN(C)c1ccc(C=Nn2ncc3ccccc23)cc1 |w:8.8|
BDBM30826 Oc1ccccc1C(=O)c1cnn(c1)-c1nc2ccccc2s1
BDBM30782 CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12
BDBM30845 OC(=O)Cn1c(SC2CCCCC2)nc2ccccc12
BDBM30823 COc1cc(OC)nc(NC(=O)COC(=O)C2CCCCC2)n1
BDBM30805 O=C(Cc1cccs1)Nc1nc2ccccc2s1
BDBM30827 Cc1sc2ncnc(Oc3ccc(cc3)-n3ccnc3)c2c1C
BDBM30847 CC1CCCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC2CCCO2)c3=O)C1C
BDBM30800 CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
BDBM30801 COC(=O)c1cc(c(C)o1)-c1c(C)oc2cc(O)ccc2c1=O |(3.08,-1.73,;4.61,-1.89,;5.52,-.64,;4.89,.76,;7.05,-.8,;8.08,.34,;9.49,-.29,;9.32,-1.82,;10.47,-2.85,;7.82,-2.14,;10.82,.48,;10.82,2.02,;9.49,2.79,;12.15,2.79,;13.49,2.02,;14.86,2.85,;16.26,2.06,;17.59,2.83,;16.26,.45,;14.86,-.34,;13.49,.48,;12.15,-.29,;12.15,-1.83,)|
BDBM30802 CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
BDBM30822 CC1(C)Cc2cccc(OCC(O)CN3CCN(CC3)c3ccccn3)c2O1
BDBM30844 CCC1CCCCN1C(=O)CSc1nnc(o1)-c1cccs1
BDBM30820 Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
BDBM30843 CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
BDBM30790 Cc1cc(no1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
BDBM30791 CCCNC(=O)Nc1cc(C)on1
BDBM30821 Cc1nnc(NCc2ccncc2)c2ccccc12
BDBM30842 Cc1ccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)cc1
BDBM30863 CC(C)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:6|
BDBM30775 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
BDBM30841 CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCC(C)CC1
BDBM31082 [#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O
BDBM30862 C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
BDBM30774 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
BDBM30828 CCOC(=O)c1cc2cc(ccc2o1)-c1c(oc2cc(O)cc(O)c2c1=O)C(=O)OCC
BDBM30848 Cc1nc2ccccc2c2oc(cc12)C(=O)NCc1ccccn1
BDBM30831 CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12
BDBM30788 COCCOC(=O)C1C(c2ccc(F)cc2)n2nc(C)nc2N=C1C |c:24|
BDBM30773 CCC(C)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM30792 CSc1ncccc1C(=O)OCc1ccccc1F
BDBM30832 Brc1ccccc1-c1nnc(CSc2nncn2-c2ccccc2)o1
BDBM30806 COC(=O)c1cc(CC(=O)c2ccc(O)cc2O)c(C)o1
BDBM30825 Cc1ccc(cc1)C(=O)OCc1cn2ccccc2n1
BDBM31041 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
BDBM31042 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
BDBM30785 CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc12
BDBM30807 OC(COc1ccc2oc3ccccc3c2c1)CN1CCN(CC1)C(=O)c1ccco1
BDBM30830 Cc1noc(NS(=O)(=O)c2ccc(cc2)-n2cc(O)c(c2N)-c2ccccc2)c1C
BDBM30849 COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
BDBM30772 COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc12
BDBM30793 COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
BDBM30810 CCCCn1c2nc(-c3ccncc3)n(CCOC)c2c(=O)[nH]c1=O
BDBM30811 CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
BDBM30812 COc1cccc(c1)C(=O)Nc1ccc(C)cc1
BDBM30809 CCOC(=O)c1sc2N=C3CCCC(=O)C3C(c3cccs3)c2c1C |t:8|
BDBM31021 CCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:5|
BDBM30698 COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1
BDBM30670 O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
BDBM30878 NC(=O)c1cc2ccc(=O)cc2oc1NCc1ccccc1
BDBM30950 Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
BDBM30967 CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C
BDBM30968 Clc1ccccc1CNc1ncnc2nc[nH]c12
BDBM30914 O=C(Nc1ccccc1N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1
BDBM30722 CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
BDBM30742 CC1(C)Cc2c(CO1)c(nc1snc(N)c21)N1CCOCC1
BDBM30895 Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F
BDBM30933 COc1ccc(cc1S(=O)(=O)N1CCC(C)CC1)C(=O)N1CCOCC1
BDBM30762 CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM30783 Cc1ccc2nc3n(-c4nccs4)c(=O)c(cc3c(=O)n2c1)C#N
BDBM30784 Cc1cc(no1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
BDBM30786 Clc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
BDBM30808 Fc1ccccc1N(CCC#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O
BDBM30850 Clc1cccc(c1)N1CCN(CCCNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM30861 COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCC1)n(Cc1ccc3OCOc3c1)c2=O
BDBM30804 CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC
BDBM30787 O=C(N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O)c1cccs1
BDBM30985 CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
BDBM31039 CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
BDBM31004 COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
BDBM30852 COc1cc(ccc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccc1F
BDBM30936 COc1c(C)cc(Br)cc1C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM30981 COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(=O)N1CCCCC1
BDBM31016 C1CNCC(C1)c1nc2ccccc2s1
BDBM31017 CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
BDBM31057 COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15|
BDBM30865 COc1ccc(cc1)N1C(C(CCC1=O)C(=O)Nc1cccc(C)n1)c1ccc(OC)c(OC)c1
BDBM30947 Cc1oc(nc1CS(=O)CC(=O)NC1CCCC1)-c1cccc(C)c1
BDBM30983 COc1ccccc1N1CCN(Cc2ccsc2)CC1
BDBM31019 CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
BDBM31020 Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
BDBM31060 Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 |(8.02,2.68,;9.56,2.68,;10.45,1.44,;11.91,1.91,;11.92,3.44,;13.06,4.47,;12.75,5.98,;11.28,6.46,;10.14,5.43,;10.45,3.92,;9.98,-.02,;10.88,-1.26,;12.42,-1.26,;9.98,-2.5,;10.45,-3.96,;9.55,-5.21,;10.46,-6.46,;11.92,-5.98,;11.92,-4.44,;8.52,-2.03,;7.19,-2.8,;5.85,-2.03,;4.48,-2.85,;3.08,-2.06,;3.08,-.46,;4.48,.33,;5.85,-.49,;7.19,.28,;8.52,-.49,)|
BDBM30885 CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1
BDBM30943 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM30969 O=C(N(Cc1ccccc1)c1ccccn1)c1cnc2sccn2c1=O
BDBM31012 O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1ccccc1
BDBM31030 Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
BDBM31055 [#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM30889 Cc1cccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
BDBM30891 Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
BDBM30918 COc1ccccc1C(=O)Nc1ccc(cc1)C(O)=O
BDBM30902 Cc1ccc(C)c(OCCCC(=O)Nc2ccc(cc2)N2CCOCC2)c1
BDBM30999 CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
BDBM31001 CN1CCN(CC1)C(N=O)c1nonc1N
BDBM31035 CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
BDBM30974 COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
BDBM31010 COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
BDBM30868 COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1
BDBM30915 Cc1[n+]([O-])c2ccccc2n(OCc2ccccc2F)c1=O
BDBM30951 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccc(F)cc1
BDBM31024 Cc1[nH]c2c(cccc2c1CCN)C(F)(F)F
BDBM31043 Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
BDBM30880 Cc1nn(c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1)-c1ccccc1
BDBM30987 Cc1ccc(o1)C1CC(=O)NC(SCc2ccccc2)=C1C#N |c:21|
BDBM30972 CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM31008 CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
BDBM30937 CC1CCc2nn(CC(=O)NC3CCCC3)cc2C1
BDBM30920 COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC1CCCO1)c2=O
BDBM30921 CC(C)Cc1nnc(NC(=O)CSc2nnc[nH]2)s1
BDBM30956 COc1ccc(cc1)-c1nc(CS(=O)CC(=O)N2CCCC2)c(C)o1
BDBM30991 CC1(C)C(=NC(c2cccnc2)=[N+]1[O-])c1ccccc1 |c:3,12|
BDBM31028 CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
BDBM30896 CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
BDBM30934 CCOC(=O)N1CCC(CC1)Nc1c(N2CCN(CC2)c2cc(Cl)ccc2C)c(=O)c1=O
BDBM31031 CCOC(=O)C1CCN(CC1)C(c1c(C)c(C)sc1NC(=O)c1ccco1)c1cccnc1
BDBM30988 OCCCc1nnc(SCc2cccc(c2)C#N)n1-c1ccccc1
BDBM30989 CCCCP(=O)(CCCC)c1ccccc1C(O)=O
BDBM31026 Cc1[nH]c2c(Cl)cccc2c1CCN
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM30938 Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1
BDBM30939 CCOC(=O)C1CCCN(C1)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
BDBM30903 CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C#N
BDBM30960 COC(=O)c1ccccc1NC1N(C(=O)c2ccccc12)c1cccnc1
BDBM30995 COc1cccc(OCCOCCNCCO)c1
BDBM30964 O=C1N(Cc2ccco2)C(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2ccccc12
BDBM31002 Cn1c(SCc2nc3ccccc3c(=O)[nH]2)ncc1-c1ccccc1
BDBM31003 Cc1cccc(NC(=O)C2CCCN(C2)C(=O)Nc2ccccc2)c1C
BDBM31038 COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
BDBM30993 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
BDBM30961 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCN(CC1)c1ccccn1
BDBM30986 CCCCOc1ccccc1C1C(=CN(CC)C=C1C(=O)OC)C(=O)OC |c:13,18|
BDBM31032 Cn1cc(C(Cc2ccccc2)N=O)c2ccccc12
BDBM31033 Clc1cccc(c1)S(=O)(=O)N1CCCC1
BDBM30873 O=S(=O)(c1ccc2oc(nc2c1)-c1ccncc1)c1ccc2oc(nc2c1)-c1ccncc1
BDBM30908 CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cccs1
BDBM31015 Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
BDBM31018 CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1
BDBM31058 CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10|
BDBM31059 COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
BDBM30869 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N
BDBM31061 Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
BDBM30982 CN(C(C)=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
BDBM30948 COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(OC)c1OC
BDBM30984 Cc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C2CCc3ccccc3C2)c1O
BDBM30977 COc1nc(NCCC2=CCCCC2)nc(OC)n1 |t:8|
BDBM31040 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
BDBM30970 CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccc2OCOc2c1 |c:13|
BDBM30911 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
BDBM30912 Cc1noc(C)c1CSc1nc2ccccc2[nH]1
BDBM30872 COCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
BDBM30926 CN(C)c1ccnc(NCc2ccccc2)c1C#N
BDBM30927 O=C(Nc1cccc2cccnc12)c1cccnc1
BDBM30935 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(o1)C1COc2ccccc2O1
BDBM31051 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM31034 CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
BDBM30881 Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
BDBM30923 COc1cc(OC)c(OC)cc1CNC1CCCCCC1
BDBM30953 O=C(Cn1cc2CCCCCc2n1)NC1CCN(Cc2ccccc2)CC1
BDBM30900 CCOC(=O)C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
BDBM30901 [H]C12OC3(C=C1)C1C4CCOC4c4cc(C)ccc4N1C(=O)C3C2C(O)=O |c:4|
BDBM30940 Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCc2ccccc2C1)-c1ccc(Cl)cc1
BDBM30975 CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)ccc1c23
BDBM31011 Clc1ccc(NC(=O)COC(=O)CCC2CCCC2)nc1
BDBM31062 Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12
BDBM30879 Brc1ccc(s1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCCC1
BDBM30916 C=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O
BDBM31053 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
BDBM31022 CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1
BDBM31007 CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
BDBM31045 CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
BDBM30864 COc1ccc2[nH]c3CCN(C)Cc3c2c1
BDBM30866 CSc1ccc2nnc(-c3cccc(F)c3)n2n1
BDBM30971 CCn1c(SCC(=O)NCC2CCCO2)nc2CC(C)Sc2c1=O
BDBM30955 CCOC(=O)N1CCC(CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
BDBM30990 CCCC(N1CCCC1)=C1C(=O)CC(CC(C)SCC)CC1=O |(3.08,7.18,;4.41,6.41,;4.41,4.87,;5.75,4.1,;7.08,4.87,;7.24,6.41,;8.75,6.73,;9.52,5.39,;8.49,4.25,;5.75,2.56,;7.08,1.79,;8.41,2.56,;7.08,.25,;5.75,-.52,;4.98,-1.85,;5.75,-3.18,;7.29,-3.18,;4.98,-4.52,;5.75,-5.85,;4.98,-7.18,;4.41,.25,;4.41,1.79,;3.08,2.56,)|
BDBM31027 CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
BDBM30899 CCOc1cc(c(C)cc1C)S(=O)(=O)NCc1ccccn1
BDBM30883 Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1cccnc1
BDBM30884 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM30922 CC1Cc2cc(ccc2N1S(=O)(=O)c1ccc(C)cc1)S(N)(=O)=O
BDBM30957 Cc1nc2ccccc2n1CC(O)Cn1c2c(CCCC2=O)c2cc(C)ccc12
BDBM30992 Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl
BDBM31029 CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
BDBM30897 CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
BDBM31006 CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
BDBM31025 CCCCN(C)CCCNC(=O)Cn1c2ccccc2sc1=O
BDBM30954 CC(=O)c1cc2OCOc2cc1NC(=O)c1cc(C)nn1-c1ccccc1
BDBM30973 CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2CC(C)Sc2c1=O
BDBM31009 NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
BDBM31047 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
BDBM31048 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM30688 CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1
BDBM30870 COc1cccc(c1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
BDBM30905 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
BDBM30907 Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl
BDBM30942 CCOCCCNC(=O)Cn1cc2CCCCc2n1
BDBM30931 COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1
BDBM30965 Clc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
BDBM31050 CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9|
BDBM31054 COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
BDBM30893 CCOC(=O)C1CCN(CC1)C(=O)COc1ccc(cc1Cl)S(=O)(=O)NC(C)C
BDBM30888 CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
BDBM30906 COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
BDBM30944 Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3=O)c1
BDBM22418 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
BDBM30952 CCn1c(cc2sccc12)C(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
BDBM31056 CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16|
BDBM30874 CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC
BDBM30898 C(N1CCN(CC1)c1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
BDBM30930 COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1
BDBM30875 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C1SCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 |w:13.13|
BDBM30919 O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1
BDBM30996 CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc12 |t:1|
BDBM30997 Cc1cc(=O)oc2cc3NCCOc3cc12
BDBM30945 Fc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccccc2)nc2ccccc2c1=O
BDBM30949 Cc1cc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2)n(n1)-c1ccccc1
BDBM30910 CCOc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(F)cc1
BDBM30962 Clc1cccc(OCc2nc(C#N)c(o2)N2CCCC2)c1
BDBM31014 CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM30941 CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
BDBM30963 CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(O)=O)c2C1=O
BDBM30867 COc1ccc(CCNC(=O)C2CCCN(Cc3nc(oc3C)-c3ccccc3C)C2)cc1OC
BDBM30929 COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1
BDBM30890 CN(C)Cc1cc(cc(CN(C)C)c1O)C(C)(C)c1cc(CN(C)C)c(O)c(CN(C)C)c1
BDBM30877 Cc1oc(nc1CN1CCCC(C1)C(=O)NCCCN1CCOCC1)-c1cccc(Cl)c1
BDBM30980 Clc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
BDBM30913 CN(C)c1nc(OCCNC(C)=O)nc(n1)N1CCOCC1
BDBM30909 CN(C)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12
BDBM30966 CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl
BDBM30876 CCOC(=O)N1CCC(CC1)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
BDBM30979 COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,t:4|
BDBM30928 CCC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
BDBM30998 CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
BDBM31036 C(N1CCN(CC1)c1ccccc1)c1cn2cccnc2n1
BDBM31037 COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
BDBM30959 O=C(Nc1ccc2OCCOc2c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
BDBM30882 CC(C)COC(=O)NCCCOC(=O)Nc1ccccc1
BDBM31000 O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCCC1
BDBM31075 O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM30894 CC(=O)N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1
BDBM30932 COC(=O)C1CCN(CC1)C(=O)C(C)Oc1ccc(Cl)cc1Cl
BDBM30892 CCOCC(=O)N1CCc2ccccc12
BDBM31078 COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1
BDBM31080 COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
BDBM31067 COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
BDBM31068 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
BDBM31077 COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC |c:19,24|
BDBM28583 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
BDBM31069 Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
BDBM31072 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
BDBM28580 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
BDBM31083 CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
BDBM31079 CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
BDBM31065 COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
BDBM31071 Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
BDBM28579 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
BDBM31073 CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
BDBM31196 CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r|
BDBM30871 Cc1nc2cc(ccc2n1-c1cccc(C)c1)C(=O)N1CCC2(CC1)OCCO2
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM30924 CCCCC12CNCC(C)(CNC1)C2=O
BDBM30978 COC(=O)C1=CN(C=C(C1c1cccc(OC)c1)C(=O)OC)C(C)C |c:7,t:4|
BDBM31013 CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM30887 COC(=O)C(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
BDBM31076 COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
BDBM31074 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
BDBM30886 O=C(CCn1c2ccccc2sc1=O)NCc1cccs1
BDBM30925 OC(=O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12
BDBM30689 Fc1ccc(cc1)C(=O)CCCN1Cc2ccccc2C1
BDBM31064 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
BDBM31066 O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
BDBM28574 NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM31070 COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O
BDBM30675 Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
BDBM30746 COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1
BDBM30704 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
BDBM30730 Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O
BDBM30733 OC(CN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1c[nH]c2ccccc12
BDBM30743 CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC |t:21|
BDBM30655 COc1nc(OC)nc(n1)N1CCC(CC1)C(=O)Nc1cccc2CCCCc12
BDBM30726 COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc23)cc(OC)c1
BDBM30728 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ncnc2CCCc12 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM30766 CCCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
BDBM30682 Cc1ccccc1Cn1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)-c2ccco2)n1
BDBM30671 CCNc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
BDBM30685 C(c1ccccc1)n1nnc2c(Nc3ccc4OCOc4c3)nc(nc12)C1CC1
BDBM30737 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1ccc(Cl)cc1
BDBM30719 CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
BDBM30768 COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
BDBM30653 Cc1ccc(Cn2c(SCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
BDBM30699 Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1
BDBM30715 CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|
BDBM30732 CC1(C)Cc2c(CO1)c(nc(NCCc1ccccc1)c2C#N)-c1ccco1
BDBM30771 Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
BDBM30716 COC(=O)c1ccc(o1)-c1sc2nc(N3CCOCC3)c3CCCCc3c2c1N
BDBM30759 CCN(CC)CCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(OCC=C)c1
BDBM30740 COc1ccc(cc1)N1CCN(CC(O)c2c[nH]c3ccc(OC)cc23)CC1C
BDBM30678 COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(=O)NCC1CCCO1
BDBM30752 CCCCCCNC(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc12 |w:13.12|
BDBM30724 CCCCCCc1cc2cc(C(=O)NC)c(N)oc2cc1=O
BDBM30763 CC(C)CCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
BDBM30764 CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
BDBM30747 Cc1cc(C)n(Cc2ccc(o2)C(=O)NCCC2=CCCCC2)n1 |t:18|
BDBM30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
BDBM30750 COCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 |t:13|
BDBM30714 CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccccc1 |c:6|
BDBM30700 CC1Oc2ccccc2N(CC(=O)N2CCCc3ccccc23)C1=O
BDBM30745 CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12
BDBM30765 CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
BDBM30676 Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccco1)Cc1cccnc1)c1nnnn1C1CCCC1
BDBM30677 Cc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
BDBM30729 Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1
BDBM30767 COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
BDBM30736 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(Br)c1
BDBM30760 CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12
BDBM30761 Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
BDBM30717 OC(COc1ccccc1)Cn1c2ccccc2n(Cc2ccccc2)c1=N
BDBM30731 Cc1[nH]c2ccccc2c1C(O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM30769 CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
BDBM30709 [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
BDBM30654 COc1cccc(c1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
BDBM30754 COCCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 |w:12.11|
BDBM30738 CC1(C)Cc2c(CO1)c(nc(NCc1ccco1)c2C#N)-c1ccco1
BDBM30708 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM30673 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O
BDBM30690 Cc1ccc(cc1)S(=O)(=O)N1CCCSCC1
BDBM50333541 CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50333542 CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc2ccccc2c1
BDBM50333543 CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM50333548 CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM50333430 Fc1ccccc1Oc1ccccc1OC1CNC1
BDBM50333429 C1NCC1Oc1ccccc1Oc1ccccc1
BDBM50333431 Fc1ccccc1Oc1cccc(F)c1OC1CNC1
BDBM50333432 Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
BDBM50333433 Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
BDBM50333434 Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
BDBM50333436 Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
BDBM50333437 Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
BDBM50333438 Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
BDBM50333439 Fc1ccccc1Oc1ccccc1OC1CCNCC1
BDBM50333440 Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
BDBM50333441 Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
BDBM50333442 Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
BDBM50333443 Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1
BDBM50333444 Fc1ccccc1Oc1ccccc1OC1CCNC1
BDBM50333445 Fc1ccccc1Oc1cccc(F)c1OC1CCNC1
BDBM50333446 Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
BDBM50333447 Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
BDBM50333448 Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
BDBM50333449 Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
BDBM50333450 Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
BDBM50333451 Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1
BDBM50333452 Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
BDBM30753 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(CC1)c1ccccn1
BDBM30691 CC1CCN(CC1)C(=O)CSc1nc2cccnc2n1C
BDBM50333551 CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM50333553 CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM30741 Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1
BDBM30696 C(c1ccccc1)n1nnc2c(ncnc12)N1CCc2ccccc2C1
BDBM30697 CC(C)C(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1cccs1
BDBM30664 COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
BDBM30684 COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)NCCN1CCOCC1)C(F)(F)F
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM30667 COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1
BDBM30693 C(NC1CCCCCCC1)c1ccco1
BDBM30701 CNCCc1c[nH]c2ccccc12
BDBM30710 NC(=O)c1cc2ccc(=O)cc2oc1Nc1ccccc1
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM30657 CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
BDBM30658 CCOC(=O)Cc1c(C)c2ccc(cc2oc1=O)N(CC)CC
BDBM30727 CCCCc1ccc2[nH]cc(CCN)c2c1
BDBM35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
BDBM30662 CC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1
BDBM30683 Fc1ccc(cc1)N(CC(=O)NC1CCCC1)C(=O)CSc1nnc(COc2ccccc2)o1
BDBM30665 CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1
BDBM30748 CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
BDBM30666 Cc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1
BDBM30749 Cc1nc2ccc(Br)cc2c(O)c1CN1CCCCC1
BDBM30758 CC(=O)NCCN=Cc1sc2ccccc2c1O |w:6.5|
BDBM30744 O=S(CCc1ccncc1)Cc1ccccc1
BDBM30694 CC(OC(=O)Cn1cnc2sc(C)c(C)c2c1=O)C(=O)NC(C)(C)C
BDBM30770 CCCNc1oc(nc1C#N)-c1cccc2ccccc12
BDBM30711 Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM30660 COc1ccc(C(=O)N2CCCC(C2)c2nc(no2)-c2ccc(OC)c(OC)c2)c(OC)c1
BDBM22870 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
BDBM30656 COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)cc1
BDBM30668 Cc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C
BDBM30663 CC1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
BDBM30672 Cc1ncc(CO)c2COC(C)(C)Oc12
BDBM30721 Clc1ccc2nc(nc(-c3ccccc3)c2c1)N1CCNCC1
BDBM30669 CCOc1ccccc1C1C(=CN(C)C=C1C(=O)OC)C(=O)OC |c:11,15|
BDBM30680 CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1)c1ccc(F)cc1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM30661 CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
BDBM30739 N=C1C(C#N)C(C#N)(C#N)C(N1c1ccccc1)c1ccco1
BDBM30681 Fc1ccccc1C(OC(=O)c1ccco1)C(=O)NC1CCCC1
BDBM30707 COc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM30674 COc1ccc(cc1)-c1cc(nc(n1)-n1nc(C)cc1C)C(F)F
BDBM30756 CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccccn1
BDBM30755 Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1
BDBM30735 Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CC=C
BDBM22873 CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50132104 COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM30687 COc1ccc(OC)c(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM34154 CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM34153 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|
BDBM50155520 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
BDBM50128371 Cc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128372 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(Cl)cc2s1
BDBM50128373 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(Cl)ccc2s1
BDBM50128374 Cc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128375 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cccc(O)c2s1
BDBM50128376 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(F)ccc2s1
BDBM50128377 COc1ccc2c(C)c(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128378 Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128379 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(C)cc4s3)cccc2[nH]1
BDBM50130452 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(C)cc3)nc12
BDBM50130453 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)nc12
BDBM50130454 COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50034323 CCCN1[C@@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@H]12
BDBM50034324 CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
BDBM50034325 CCCN1[C@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@H]12
BDBM50034326 CCCN1CC[C@H]2[C@H]1CCc1c(OC)cccc21
BDBM50034327 CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21
BDBM50034328 COc1cccc2CC[C@H]3[C@@H](CCN3CCc3ccccc3)c12
BDBM50034329 CCCN1[C@H](C)C[C@@H]2[C@H]1CCc1cccc(O)c21
BDBM50034330 COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
BDBM50034331 CCCN1CC[C@@H]2[C@@H]1CCc1cccc(OC)c21
BDBM50034332 CCCN1CC[C@@H]2[C@@H]1CCc1cccc(O)c21
BDBM50109057 Fc1ccc2c(c[nH]c2c1)C1=CCN(CCOc2cccc3OCCOc23)CC1 |t:12|
BDBM50109058 C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5|
BDBM50105084 O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50108392 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50056029 CC1CN(CC(C)N1CCNC(=O)c1ccc(F)cc1)c1cccc2OCCOc12
BDBM50004917 Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
BDBM50004918 Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
BDBM50036470 CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
BDBM50064783 COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064784 COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064785 COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064786 CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
BDBM50064787 CNC(=O)c1ccc2[C@@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
BDBM50130270 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50047142 CCCN1C[C@@H]2[C@H]1CCc1cccc(OC)c21
BDBM50019646 CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
BDBM50046615 CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C
BDBM50046616 C=CCN[C@@H]1CCc2ccccc2[C@@H]1CC=C
BDBM50046617 COc1cccc2CC[C@@H](NCC3CC3)[C@H](CC3CC3)c12
BDBM50046618 C=CCN[C@@H]1CCc2ccccc2[C@H]1CC=C
BDBM50046619 COc1cccc2CC[C@@H](NCC=C)[C@@H](CC3CC3)c12
BDBM50047135 CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CCc4cccc2c34)N(C)C1 |t:13|
BDBM50047136 Oc1cccc2C[C@@H]3C(CCN3CC=C)Cc12
BDBM50047137 CCCN1[C@@H](C)C[C@@H]2[C@H]1CCc1cccc(OC)c21
BDBM50054143 COc1cccc2OCC3(CCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
BDBM50013019 CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
BDBM50106482 CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
BDBM50014219 COc1ccc2[nH]cc(CC(C)N)c2c1
BDBM50047138 CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
BDBM50047141 COc1cccc2C[C@@H]3C(CCN3CC=C)Cc12
BDBM50020174 Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1
BDBM50046598 Oc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
BDBM50046599 CCCN(CC=C)[C@@H]1CCc2cccc(OC)c2C1=C
BDBM50046606 CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CCC
BDBM50046607 COc1cccc2C[C@@H](CC=C)[C@H](Cc12)NCC=C
BDBM50046608 COc1cccc2CC[C@@H](NCC=C)[C@H](CC3CC3)c12
BDBM50046609 COC(=O)[C@H]1[C@@H](CCc2cccc(OC)c12)NCC=C
BDBM50046610 COc1cccc2CC[C@@H](NCC=C)[C@H](CO)c12
BDBM50046611 CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC1CC1
BDBM50046612 COC(=O)[C@@H]1[C@@H](CCc2cccc(OC)c12)NCC=C
BDBM50046613 CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C
BDBM50046614 CCCN[C@H]1Cc2c(C[C@H]1CC=C)cccc2OC
BDBM50034338 Oc1cccc2C[C@@H]3[C@H](CCN3CC3CC3)Cc12
BDBM50034339 COc1cccc2CC[C@@H]3[C@H](CCN3CC=C)c12
BDBM50067726 Oc1cc2[C@H](C[NH2+]CCc2c(Cl)c1O)c1ccccc1
BDBM50081081 Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
BDBM50073805 Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
BDBM50085970 COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50085972 COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
BDBM50024204 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
BDBM50097891 COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
BDBM50024210 NCCc1c[nH]c2ccccc12
BDBM50081975 CN1CCN(CC1)c1nc2cccnc2n2cccc12
BDBM50034341 COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
BDBM50034342 CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
BDBM50034343 COc1cccc2C[C@H]3[C@H](CCN3CC3CC3)Cc12
BDBM50073682 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
BDBM50073688 CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50073689 CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
BDBM50118576 C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50118577 C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50118579 C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50046602 COc1cccc2CC[C@@H](NCC3CC3)[C@@H](CC3CC3)c12
BDBM50047143 [H][C@]12CCc3c(O)cccc3[C@]1([H])CCCN2
BDBM50047144 CCCN1CCC2Cc3c(C[C@@H]12)cccc3OC
BDBM50047145 CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
BDBM50047146 CN1C[C@H](CC2[C@H]1Cc1c(C)[nH]c3cccc2c13)NC(=O)C(C)(C)C
BDBM50047147 CCCN(CCC)[C@@H]1Cc2cccc3ccc(=O)n(C1)c23
BDBM50047149 CCCN1CCC2Cc3c(O)cccc3C[C@@H]12
BDBM50047150 CCCN(CCC)[C@H]1CN2CC(=O)Nc3cccc(C1)c23
BDBM50047151 CCCN1[C@H](C)C[C@@H]2[C@H]1CCc1cccc(OC)c21
BDBM50046603 CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1
BDBM50046604 CCCN[C@H]1Cc2c(C[C@@H]1CC=C)cccc2OC
BDBM50046605 CCCN[C@@H]1[C@H](CCC)Cc2cccc(O)c2[C@@H]1CCC
BDBM50046600 CCCN(C)[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
BDBM50046601 CCCN[C@@H]1[C@H](CCC)Cc2cccc(OC)c2[C@@H]1CCC
BDBM50034340 COc1cccc2CC[C@@H]3[C@@H](CCN3CCc3ccccc3)c12
BDBM50034333 CCCN1[C@@H](C)C[C@@H]2[C@H]1CCc1cccc(O)c21
BDBM50034334 Oc1cccc2C[C@@H]3[C@@H](CCN3CC=C)Cc12
BDBM50034335 C=CCN1CC[C@H]2[C@H]1CCc1ccccc21
BDBM50034336 COc1cccc2[C@H]3CCN(CC4CC4)[C@@H]3CCc12
BDBM50034337 C=CCN1CC[C@@H]2[C@H]1CCc1ccccc21
BDBM50037272 CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
BDBM50159032 O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12
BDBM50159033 O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc12
BDBM50182546 CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
BDBM50122808 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
BDBM50122809 CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
BDBM50122810 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
BDBM50122811 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50125260 Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
BDBM50130286 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
BDBM50031474 NC(=N)NN=Cc1c[nH]c2ccc(O)cc12 |w:4.3|
BDBM50014247 COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
BDBM50005835 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50040166 COc1cccc2CC[C@H]3C(CCN3CC=C)c12
BDBM50040167 CCCN1CCC2[C@@H]1CCc1cccc(OC)c21
BDBM50040168 COc1cccc2C3CCN(CC=C)[C@H]3CCc12
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50130278 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
BDBM50130279 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
BDBM50001969 CCCN(CCC)C1CN2C(=O)NCc3cccc(C1)c23
BDBM50001971 CCCN(CCC)C1CN2C(=O)CNc3cccc(C1)c23
BDBM50001972 CCCN(CCC)C1Cc2cccc3n(C)c(=O)n(C1)c23
BDBM50001974 CCCN(CCC)C1CN2C(=O)CCc3cccc(C1)c23
BDBM50001976 CCCN(CCC)C1CN2C(=O)Cc3cccc(C1)c23
BDBM50001977 CCCN(CCC)C1Cc2cccc3ccc(=O)n(C1)c23
BDBM50116963 O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
BDBM50026868 CN(C)CCc1c[nH]c2ccccc12
BDBM50054973 NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054974 NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50054975 NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
BDBM50054977 NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054978 NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12
BDBM50003036 CN(C)CCc1c[nH]c2ccc3OCCCc3c12
BDBM50003037 Cn1cc(CCN)c2c3CCCOc3ccc12
BDBM50003039 NCCc1c[nH]c2ccc3OCCCc3c12
BDBM50071959 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
BDBM50118327 OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
BDBM50014407 C1CN(CCN1)c1ccc2ccccc2n1
BDBM50054979 NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
BDBM50054980 NCCc1c[nH]c2ccc(OCC(=O)N3CCC(CC3)C3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50122798 Cn1ccnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122799 Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50050098 COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
BDBM50026928 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
BDBM50122817 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122818 Cn1cnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122819 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cncnc1
BDBM50122800 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cccnc1
BDBM50122801 CCn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122802 Cn1nccc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122807 Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50106246 CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50106247 CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
BDBM50122804 Cn1cc(cn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122805 Cn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122806 Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
BDBM50106248 CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
BDBM50106249 CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM50106250 CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
BDBM50106251 NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM50106252 CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
BDBM50054981 NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50054982 NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054983 NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054984 NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054985 NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(cc3)-c3ccc(cc3)S(=O)(=O)NCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054986 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054987 NCCc1c[nH]c2ccc(OCCN3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054988 NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50226008 CCCN1CCO[C@@H](C1)c1cccc(O)c1
BDBM50040158 CCCN1[C@H](C)CC2[C@H]1CCc1cccc(OC)c21
BDBM50040159 Oc1cccc2C3CCN(CC=C)C3CCc12
BDBM50040161 CCCN1CCC2[C@@H]1CCc1cccc(O)c21
BDBM50061255 Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
BDBM50034345 COc1cccc2C[C@H]3[C@H](CCN3CC=C)Cc12
BDBM50034346 Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
BDBM50034347 COc1cccc2C[C@@H]3[C@H](CCN3CC3CC3)Cc12
BDBM50034348 Oc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
BDBM50034349 CCCN1CC[C@H]2[C@H]1CCc1c(O)cccc21
BDBM50034350 COc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
BDBM50034351 CCCN1CC[C@@H]2[C@H]1CCc1c(OC)cccc21
BDBM50034352 CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@@H]12
BDBM50034353 COc1cccc2C[C@H]3CCN(CC=C)[C@@H]3Cc12
BDBM50034354 CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50034355 Oc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
BDBM50034344 COc1cccc2C[C@H]3CCN(CC=C)[C@H]3Cc12
BDBM50034360 Oc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
BDBM50034361 COc1cccc2C[C@@H]3[C@H](CCN3Cc3ccccc3)Cc12
BDBM50034362 CCCN(CCC)[C@H]1CN2C(=O)NCc3cccc(C1)c23
BDBM50034363 CCCN1CC[C@@H]2[C@H]1CCc1c(O)cccc21
BDBM50056442 CN[C@@H]1Cc2cccc3ncn(C1)c23
BDBM50007518 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
BDBM50033383 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50070405 CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
BDBM50070406 CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50070407 CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4CCC(Cc34)N(CCC)CCC)c2C1
BDBM50070408 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
BDBM50070409 CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50203819 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
BDBM50203820 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
BDBM50234265 COc1cc2CCN(C)[C@@H]3Cc4cccc(O)c4-c(c1)c23 |r|
BDBM50076428 COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
BDBM50076429 COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50156405 CN1CCC(CC1)N1CCOc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156407 CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156410 CN1CCC(CC1)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156411 CN1CCC(CC1)n1ncc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156412 CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50031942 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50034356 Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
BDBM50034357 COc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
BDBM50034358 CCCN1CC[C@@H]2[C@H]1CCc1ccccc21
BDBM50034359 Oc1cccc2[C@@H]3CCN(CC=C)[C@H]3CCc12
BDBM50274683 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1 |r|
BDBM50274684 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
BDBM50060429 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50060425 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
BDBM50060426 CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50142641 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cnccn1
BDBM50142642 CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ccc(F)cc1
BDBM50142643 CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncc(F)cn1
BDBM50142644 Fc1cnc(nc1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM50142645 CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
BDBM50142646 OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1cnccn1
BDBM50142647 Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50142648 CC(CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(CC1)c1ncc(F)cn1
BDBM50142649 Fc1cnc(nc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50142650 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncc(F)cn2)C(=O)C1
BDBM50026924 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccc1
BDBM50026926 COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50109059 Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
BDBM50109060 C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12 |c:5|
BDBM50109061 C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12 |c:5|
BDBM50109062 Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1
BDBM50113851 NC1CC1c1ccccc1
BDBM50064552 CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1
BDBM50050467 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50036844 CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
BDBM50087024 CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
BDBM50033843 COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
BDBM50145593 O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1csc2ccccc12
BDBM50145598 C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
BDBM50087038 CN1CCc2ccc3[C@@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
BDBM50149707 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
BDBM50149708 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
BDBM50149709 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)s3)CC2)c1Cl
BDBM50157768 COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc23)CC1
BDBM50189845 COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1
BDBM50189848 Clc1ccc(cc1Cl)N1CCN(Cc2cn3ccccc3n2)CC1
BDBM50189849 Clc1ccc(cc1)N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
BDBM50189837 Fc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
BDBM50189840 COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
BDBM50189842 Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
BDBM50189856 Clc1ccc2nc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cn2n1
BDBM50102338 COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50102350 COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
BDBM50102351 OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
BDBM50102337 COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
BDBM50109053 C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5|
BDBM50109054 Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5OCCOc45)CC3)c2c1 |t:8|
BDBM50109055 C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12 |c:5|
BDBM50109056 C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
BDBM50096741 CN1CCc2ccc3ncc4cccc5C[C@@H]1c2c3c45
BDBM50096742 CN1CCc2ccc3cnc4cccc5C[C@@H]1c2c3c45
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50001986 CCCCNC1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50001987 C=CCN(CC=C)C1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50130261 Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
BDBM50130163 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
BDBM50130164 COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
BDBM50130165 COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
BDBM50130441 CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)nc12
BDBM50130442 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccn3)nc12
BDBM50130443 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
BDBM50068818 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50115640 COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
BDBM50115642 COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
BDBM50115643 COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50119376 COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3ccccc3[Te]2)CC1 |t:20|
BDBM50119377 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50119378 COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1
BDBM50119379 COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1
BDBM50119380 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50107245 COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
BDBM50107249 COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
BDBM50107240 COc1cccc2C(CCCNCCOc3ccccn3)CCCc12
BDBM50143711 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143712 CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)N(C)c1cc(Cl)ccc1Cl
BDBM50143713 Clc1ccc(cc1Cl)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143714 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCCC2=O)CC1
BDBM50143715 Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143716 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCC3)CC2=O)CC1
BDBM50143717 Cc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143718 Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143719 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)C=CC2=O)CC1 |c:18|
BDBM50143720 CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O
BDBM50143721 CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143722 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)C2=O)CC1
BDBM50143723 Cc1ccc(C)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143724 Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1
BDBM50143725 CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)Nc1cc(Cl)ccc1Cl
BDBM50143726 Clc1ccc(I)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143727 Clc1ccc(Cl)c(OCCNCCN2C(=O)CC3(CCCC3)CC2=O)c1
BDBM50087025 C[C@@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50087027 CCO[C@@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50087029 CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50087030 C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50087033 CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50087035 CN1CCc2ccc3[C@H](N)c4cccc5C[C@@H]1c2c3-c45
BDBM50087036 CN1CCc2ccc3Cc4cccc5C[C@@H]1c2c3-c45
BDBM50087037 CCO[C@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
BDBM50146360 CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
BDBM50073444 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
BDBM50007427 CCCN1CCc2cccc-3c2C1Cc1cccc(O)c-31
BDBM34142 CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
BDBM50128380 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
BDBM50128381 COc1ccc2sc(cc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128382 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cc(C)cc4s3)cccc2[nH]1
BDBM50128383 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(F)ccc4s3)cccc2[nH]1
BDBM50128384 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
BDBM50128385 COc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128387 Cc1c(sc2ccc(F)cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50049079 CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049081 CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049082 CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049084 CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049085 CC(=O)c1ccc2[nH]cc(CCN)c2c1
BDBM50049086 CCc1ccc2[nH]cc(CCN)c2c1
BDBM50049087 CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50102411 COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)-c2ccccc2)CC1
BDBM50102412 COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
BDBM50254790 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
BDBM50213549 COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
BDBM50016013 CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50017543 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
BDBM50101649 COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
BDBM50126474 Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50054395 COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50051562 COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
BDBM50175480 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ncccc34)c(=O)c21
BDBM50175481 COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175482 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccc4ccccc4n3)c(=O)c21
BDBM50135263 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@@H](C)C1
BDBM50135264 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
BDBM50135255 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
BDBM50135256 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
BDBM50135257 C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
BDBM50135258 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@@H](C)C1
BDBM50135259 COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
BDBM50135260 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
BDBM50135261 COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
BDBM50135265 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1
BDBM50135266 COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.12.17:15.14|
BDBM50044415 CCCN1CCC2[C@@H]1CCc1cccc(C(N)=O)c21
BDBM50105101 Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105103 Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50159017 C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
BDBM50159018 C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50017712 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50054976 NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50057093 COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12
BDBM50185474 OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
BDBM50143669 [O-][N+](=O)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50185473 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50143653 COc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50131665 COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
BDBM50131666 COc1ccc2OC[C@H]3CC[C@@H](CN)c1c23
BDBM50033852 COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50118336 OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
BDBM50118337 OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
BDBM50118332 OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
BDBM50118335 OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
BDBM50118338 OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
BDBM50118339 OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
BDBM50118340 OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
BDBM50118342 OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
BDBM50064578 COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50064572 Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
BDBM50064573 FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50064574 CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
BDBM50064579 Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
BDBM50064580 COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50064581 Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
BDBM50064582 Cn1c2ccc(CCN3CCN(CC3)c3ccccc3O)cc2sc1=O
BDBM50064583 COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
BDBM50064584 CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
BDBM50064585 Oc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50064586 Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
BDBM50064587 COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50064588 COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
BDBM50064589 COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
BDBM50064590 FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
BDBM50118324 OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
BDBM50064575 O=c1[nH]c2ccc(CCN3CCN(CC3)c3ccccc3)cc2s1
BDBM50064576 COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
BDBM50064577 COc1ccccc1N1CCN(CCCCc2ccc3N(C)C(=O)COc3c2)CC1
BDBM50128364 COc1cccc2cc(sc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128365 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(F)cccc2s1
BDBM50128366 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(O)cc2s1
BDBM50128367 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
BDBM50128368 COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128369 CC(C)Oc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50128370 COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)CC1
BDBM50001964 O=c1[nH]c2cccc3CC(Cn1c23)N(CC1CC1)CC1CC1
BDBM50172859 Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50040184 CCCN1CC[C@H]2Cc3c(C[C@H]12)cccc3OC
BDBM50040185 COc1cccc2C[C@H]3[C@@H](CCN3CC=C)Cc12
BDBM50131046 O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
BDBM50001978 CCCCN(CCC)C1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50001979 CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(C1)c23
BDBM50001980 CCCN(CCC)C1Cc2cccc3ncc(=O)n(C1)c23
BDBM50046584 CCCN[C@@H]1CCc2c(OC)cccc2[C@H]1CC=C
BDBM50046585 CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1CC=C
BDBM50079939 COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
BDBM50040174 CCCN1CCC2C1CCc1c(O)cccc21
BDBM50040175 CCCN1CCC2[C@H]1CCc1cccc(O)c21
BDBM50040176 CCCN1CCC2[C@H]1CCc1cccc(OC)c21
BDBM50040178 COc1cccc2CC[C@H]3C(CCN3CCc3ccccc3)c12
BDBM50040179 Oc1cccc2C3CCN(CC=C)[C@H]3CCc12
BDBM50040181 CCCN1CCC2C1CCc1cccc(OC)c21
BDBM50040182 CCCN1CC[C@H]2Cc3c(O)cccc3C[C@H]12
BDBM50040183 Oc1cccc2C[C@H]3[C@@H](CCN3CC=C)Cc12
BDBM50161229 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4o3)CC2)c1Cl
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50017721 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
BDBM50166903 C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50166904 C[C@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50166905 C[C@@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50274266 CC(C)NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50175485 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccsc34)c(=O)c21
BDBM50175486 COc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175487 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C#N)c(=O)c21
BDBM50175488 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ncnc4ccccc34)c(=O)c21
BDBM50175489 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccccc34)c(=O)c21
BDBM50175490 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C)c(=O)c21
BDBM34141 COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
BDBM50143683 CCC1(C)CC(=O)N(CCN2CCN(CC2)c2cc(Cl)ccc2Cl)C(=O)C1
BDBM50143684 Clc1ccc(Cl)c(c1)N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143685 FC(F)(F)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143686 CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143687 Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143688 CC1CN(CCN1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
BDBM50143689 Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143690 [O-][N+](=O)c1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50083342 Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
BDBM50026941 Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50026957 OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM50026917 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50252278 N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)|
BDBM50252279 N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,wD:12.15,(12.55,-43.28,;12.96,-44.78,;13.27,-46.29,;14.73,-46.78,;15.03,-48.29,;13.88,-49.31,;13.86,-50.84,;12.39,-51.3,;11.5,-50.05,;9.96,-50.04,;9.18,-51.36,;7.64,-51.35,;6.89,-50,;7.66,-48.68,;9.2,-48.69,;5.35,-49.99,;4.57,-51.32,;3.03,-51.31,;2.27,-49.98,;3.05,-48.65,;4.59,-48.65,;.73,-49.97,;-.04,-51.3,;-1.57,-51.3,;-2.34,-49.96,;-1.56,-48.63,;-2.32,-47.3,;-1.55,-45.98,;-.01,-45.98,;.75,-47.32,;-.03,-48.64,;12.42,-48.81,;12.12,-47.31,)|
BDBM50252281 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ccccc34)c2c1 |r,wU:8.7,wD:11.14,(-1.55,5.95,;-1.24,4.44,;.22,3.95,;.52,2.44,;-.63,1.43,;-.64,-.11,;-2.12,-.57,;-3.01,.68,;-4.55,.7,;-5.33,-.63,;-6.87,-.61,;-7.62,.73,;-6.85,2.06,;-5.31,2.04,;-9.16,.74,;-9.94,-.59,;-11.49,-.58,;-12.24,.75,;-11.46,2.09,;-9.93,2.08,;-13.78,.76,;-14.56,-.57,;-16.1,-.56,;-16.87,.78,;-16.08,2.11,;-16.85,3.44,;-16.07,4.76,;-14.53,4.75,;-13.78,3.42,;-14.55,2.1,;-2.09,1.93,;-2.39,3.43,)|
BDBM50259678 COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc5OCOc5cc34)c2cc1O |r,THB:8:7:10.11.19:5.20.4|
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50274726 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1 |r|
BDBM50274727 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CC1CC1)CC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
BDBM50102352 Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
BDBM50102354 COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50102355 COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
BDBM50102356 COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)-c2ccccc2)CC1
BDBM50102357 COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
BDBM50102358 COc1ccc(cc1)N1CCN(CCC(O)c2ccccc2)CC1
BDBM50102359 COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
BDBM50020578 FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1
BDBM50020579 Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
BDBM50020580 FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
BDBM50020581 Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I
BDBM50020582 CCCN(CCC)C1CCc2ccccc2C1
BDBM50044417 CCCN1CCC2C1CCc1cccc(C(N)=O)c21
BDBM50044418 OCC1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
BDBM50130167 COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
BDBM50130168 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
BDBM50130169 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
BDBM50130170 COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|
BDBM50130171 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
BDBM50130172 O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1 |THB:13:14:20.19.21:16.17|
BDBM50130173 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
BDBM50130430 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3F)nc12
BDBM50130431 CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)cc12
BDBM50130427 CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)cc12
BDBM50143679 Clc1cccc(Cl)c1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143654 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143655 O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
BDBM50274643 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)C1CCC1
BDBM50274644 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)C1CCC1
BDBM50274645 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)C1CCC1
BDBM50143667 Clc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143668 Fc1ccc(cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1)C(F)(F)F
BDBM50143657 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1
BDBM50143658 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N
BDBM50143659 Brc1ccc(Br)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143660 CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143661 Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143662 COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143663 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
BDBM50143664 Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50040165 Oc1cccc2C3CCN(CC=C)[C@@H]3CCc12
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50001859 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50143665 Clc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1Cl
BDBM50143666 Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143656 COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
BDBM50172860 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
BDBM50172861 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1
BDBM50172862 Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50172863 Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50172864 Fc1cccc(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50172865 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1
BDBM50172866 COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50005548 CN1CC(c2ccccc2)c2cccc(N)c2C1
BDBM50102333 COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50102334 OC(CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM50102335 Clc1ccc(cc1)N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
BDBM50102336 COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50088394 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50102349 Clc1ccc(cc1)N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50031296 Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
BDBM50031297 Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
BDBM50046593 COc1cccc2CC[C@@H](NCC3CC3)[C@@H](CC=C)c12
BDBM50046594 COc1cccc2C[C@H](CC=C)[C@H](Cc12)NCC=C
BDBM50102340 Fc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
BDBM50102341 Clc1ccc(cc1)N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
BDBM50102342 Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
BDBM50102343 Cc1cc(C(=O)CCN2CCN(CC2)c2cccc3ccccc23)c(C)s1
BDBM50102344 [O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50102346 COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
BDBM50102347 OC(CCN1CCN(CC1)c1ccccc1O)c1ccc2ccccc2c1
BDBM50102348 Clc1ccc(cc1)N1CCN(CCC(=O)c2cccs2)CC1
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50099016 Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1
BDBM50034310 CCCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]12
BDBM50034311 CCCN1CC[C@H]2Cc3c(C[C@@H]12)cccc3OC
BDBM50034312 COc1cccc2C[C@H]3NCC[C@@H]3Cc12
BDBM50034313 COc1cccc2C[C@@H]3[C@@H](CCN3CC=C)Cc12
BDBM50034314 COc1cccc2C[C@@H]3NCC[C@@H]3Cc12
BDBM50099011 COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
BDBM50099012 Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1
BDBM50099013 COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)c2ccccc2)CC1
BDBM50099014 CN([C@@H](CN1CCN(CC1)c1nsnc1Cl)Cc1ccccc1)C(=O)C1CCCCC1
BDBM50099015 COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2CCCCC2)CC1
BDBM50046595 CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC
BDBM50046596 COc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
BDBM50046597 CCCN[C@@H]1CCc2ccccc2[C@@H]1CC=C
BDBM50039811 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2OCCOc12
BDBM50039814 O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
BDBM50039818 C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
BDBM50039824 Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
BDBM50061299 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
BDBM50061296 COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
BDBM50061297 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
BDBM50007407 C1CN(CCN1)c1cccc2ccccc12
BDBM50234920 NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
BDBM50061300 COc1ccc2ccc(cc2c1)N1CCNCC1
BDBM50039947 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50104341 C([C@H]1CNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:4|
BDBM50072743 O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
BDBM50072750 O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
BDBM50072751 OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1ccccc1C1CCCC1
BDBM50072752 OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
BDBM50072753 O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
BDBM50103835 O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccsc4)CC3)c2o1
BDBM50103836 Cn1c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2oc1=O
BDBM50103837 Fc1ccc(cc1CN1CCN(CC1)c1cccc2[nH]c(=O)oc12)-c1ccccc1
BDBM50103838 Cc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
BDBM50103839 Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
BDBM50103840 C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1
BDBM50103841 O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
BDBM50051164 O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
BDBM50197201 COc1cccc(CCc2ccccc2OCc2ccccc2)c1
BDBM50274782 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
BDBM50274783 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50002177 COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:16|
BDBM50007871 CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
BDBM50005127 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
BDBM50122803 C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50175466 COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)-c1ccccc1
BDBM50175467 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3nccc4ccccc34)c(=O)c21
BDBM50175468 COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175469 COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175470 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Oc3ccccc3)c(=O)c21
BDBM50175471 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c(=O)c21
BDBM50175472 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCC(C)(C)C)c(=O)c21
BDBM50175473 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cnccc34)c(=O)c21
BDBM50175474 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c21
BDBM50175475 COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)C(F)(F)F
BDBM50175476 COc1ccc(C)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175477 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4CCOc34)c(=O)c21
BDBM50175478 COc1ccc(OC)c(c1)N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50005132 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
BDBM50175460 CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175461 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
BDBM50175462 COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175463 COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175464 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCc3ccccc3)c(=O)c21
BDBM50175465 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
BDBM50277252 COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50175479 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cccnc34)c(=O)c21
BDBM50175483 COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
BDBM50175484 CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccncc34)c(=O)c21
BDBM50274489 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2cc(F)ccc12)C1CCC1
BDBM50033426 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033429 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50033430 NCCc1c[nH]c2ccc(OCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033431 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3CN)cc12
BDBM50033432 NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033433 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033434 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
BDBM50036868 CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
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|
BDBM50252131 FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:22.28,wD:19.21,(-16.45,-13.54,;-16.45,-15.09,;-14.9,-15.09,;-17.99,-15.1,;-16.45,-16.63,;-15.2,-17.55,;-15.68,-19.01,;-14.93,-20.36,;-15.7,-21.69,;-17.26,-21.69,;-18.02,-20.34,;-17.23,-19,;-17.71,-17.53,;-13.38,-20.36,;-12.63,-21.7,;-11.08,-21.71,;-10.3,-20.38,;-11.07,-19.03,;-12.61,-19.03,;-8.76,-20.39,;-8,-21.73,;-6.47,-21.75,;-5.68,-20.42,;-6.44,-19.07,;-7.99,-19.06,;-4.14,-20.43,;-3.25,-21.68,;-1.79,-21.22,;-1.78,-19.69,;-.63,-18.68,;-.93,-17.18,;-2.39,-16.69,;-3.53,-17.7,;-3.23,-19.19,)|
BDBM50252220 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,wD:11.14,(-6.13,-34.96,;-5.82,-36.47,;-4.36,-36.96,;-4.06,-38.47,;-5.21,-39.48,;-5.23,-41.01,;-6.7,-41.47,;-7.59,-40.23,;-9.13,-40.21,;-9.91,-41.54,;-11.45,-41.52,;-12.21,-40.18,;-11.44,-38.85,;-9.89,-38.87,;-13.75,-40.17,;-14.53,-41.5,;-16.07,-41.48,;-16.82,-40.15,;-16.04,-38.82,;-14.51,-38.82,;-18.36,-40.14,;-19.13,-41.48,;-20.68,-41.47,;-21.45,-40.13,;-20.65,-38.8,;-21.42,-37.47,;-20.65,-36.15,;-19.11,-36.16,;-18.36,-37.49,;-19.12,-38.81,;-6.67,-38.98,;-6.97,-37.48,)|
BDBM50252221 N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:9.8,12.15,(14.01,-32.59,;14.42,-34.09,;14.73,-35.6,;16.19,-36.09,;16.49,-37.6,;15.34,-38.61,;15.33,-40.15,;13.85,-40.61,;12.96,-39.36,;11.42,-39.34,;10.66,-38,;9.12,-37.98,;8.35,-39.31,;9.1,-40.66,;10.64,-40.67,;6.81,-39.3,;6.03,-40.63,;4.49,-40.62,;3.73,-39.29,;4.51,-37.96,;6.04,-37.96,;2.19,-39.28,;1.42,-40.61,;-.12,-40.61,;-.89,-39.26,;-.11,-37.93,;-.87,-36.61,;-.1,-35.28,;1.44,-35.29,;2.2,-36.62,;1.43,-37.95,;13.88,-38.12,;13.58,-36.61,)|
BDBM50252222 N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:12.15,wD:9.8,(34.65,-31.84,;35.06,-33.34,;35.37,-34.85,;36.83,-35.34,;37.13,-36.85,;35.98,-37.86,;35.96,-39.4,;34.49,-39.86,;33.6,-38.61,;32.06,-38.59,;31.3,-37.25,;29.76,-37.23,;28.98,-38.56,;29.74,-39.91,;31.27,-39.92,;27.44,-38.55,;26.67,-39.88,;25.13,-39.87,;24.37,-38.54,;25.14,-37.21,;26.68,-37.21,;22.83,-38.53,;22.06,-39.86,;20.52,-39.86,;19.75,-38.51,;20.53,-37.18,;19.77,-35.86,;20.54,-34.53,;22.08,-34.54,;22.84,-35.87,;22.06,-37.2,;34.52,-37.37,;34.22,-35.86,)|
BDBM50102374 COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
BDBM50102375 COc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
BDBM50102376 COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
BDBM50102377 COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
BDBM50102378 FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
BDBM50102379 COc1ccc(cc1)C(O)CCN1CCN(CC1)c1ccccc1OC
BDBM50102380 COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
BDBM50102381 Fc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50102383 O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
BDBM50102384 COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
BDBM50102385 COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1
BDBM50102386 COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
BDBM50102387 OC(CCN1CCN(CC1)c1ncccn1)c1ccccc1
BDBM50102373 O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
BDBM50102328 O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
BDBM50102329 Clc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50102330 OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
BDBM50102331 COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
BDBM50102332 COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
BDBM50138473 CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15|
BDBM50138474 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14|
BDBM50138475 COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17|
BDBM50138476 COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
BDBM50138477 COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
BDBM50138478 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
BDBM50138479 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13|
BDBM50138480 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
BDBM50138481 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13|
BDBM50138482 CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
BDBM50138484 COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12 |THB:10:11:17.19.16:14.13|
BDBM50138470 CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15|
BDBM50138472 CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15|
BDBM50115715 N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
BDBM50029257 CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
BDBM50098544 CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2O)c-31 |wD:10.11,(3.15,-8.39,;3.15,-6.86,;4.49,-6.09,;4.51,-4.55,;3.18,-3.79,;3.2,-2.22,;1.86,-1.42,;.49,-2.19,;.49,-3.75,;1.83,-4.55,;1.83,-6.09,;.49,-6.86,;-.83,-6.09,;-2.17,-6.86,;-3.49,-6.09,;-3.49,-4.55,;-2.17,-3.75,;-2.21,-2.06,;-3.61,-1.42,;-4.85,-2.28,;-3.73,.12,;-2.45,1.01,;-1.08,.34,;-.95,-1.19,;.38,-.39,;-.83,-4.52,)|
BDBM50187381 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187382 Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(=O)C(C)(C)C)c1
BDBM50243699 FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1
BDBM50243700 FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50130166 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
BDBM50034315 COc1cccc2[C@@H]3CCN(CC4CC4)[C@@H]3CCc12
BDBM50034316 CCCN1CC[C@H]2[C@H]1CCc1ccccc21
BDBM50034317 COc1cccc2[C@@H]3CCN(CC=C)[C@H]3CCc12
BDBM50034318 COc1cccc2C[C@H]3[C@H](CCN3Cc3ccccc3)Cc12
BDBM50034319 CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@H]12
BDBM50034320 CCCN1CC[C@@H]2Cc3c(C[C@H]12)cccc3OC
BDBM50034321 Oc1cccc2CC[C@@H]3[C@H](CCN3CC=C)c12
BDBM50034322 COc1cccc2CC[C@H]3[C@@H](CCN3CC=C)c12
BDBM50046586 COc1cccc2CC[C@@H](NCC=C)[C@@H](CO)c12
BDBM50046587 CCCN[C@@H]1CCc2ccccc2[C@H]1CC=C
BDBM50046588 COc1cccc2CC[C@@H](NCC=C)[C@H](CC=C)c12
BDBM50046589 COc1cccc2CC[C@@H](NCC3CC3)[C@H](CC=C)c12
BDBM50046590 CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
BDBM50046591 CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC=C
BDBM50046592 CCCN(CCC)[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50145589 C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1
BDBM50019960 COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
BDBM50034271 FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50130158 COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
BDBM50130159 C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
BDBM50130160 C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50001957 CCCN(CCC)C1Cc2cccc3oc(=O)n(C1)c23
BDBM50001958 CCCN(CCC)C1Cc2cccc3nc(SC)n(C1)c23
BDBM50002334 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50130153 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cc(C)cc2s1
BDBM50130154 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
BDBM50109943 Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
BDBM50109945 Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
BDBM50159180 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
BDBM50159187 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
BDBM50122816 Cn1nncc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122824 Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122825 Cn1nnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50004822 Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50122820 CCn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122821 Cn1ncnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122822 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1c[nH]nn1
BDBM50130290 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
BDBM50001117 COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
BDBM50001118 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
BDBM50001119 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
BDBM50001120 COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
BDBM50001121 OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50021365 CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
BDBM50001960 CCCN(Cc1ccccc1)C1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50001962 CCCN(CCC)C1Cc2cccc3ncn(C1)c23
BDBM50277145 CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50001775 [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50132116 Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
BDBM50130155 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(cccc2s1)C(F)(F)F
BDBM50130157 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
BDBM50005120 CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
BDBM50131888 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
BDBM50131889 Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]
BDBM50131890 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
BDBM50131891 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
BDBM50154705 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
BDBM50005246 CC(N)Cc1ccccc1
BDBM50005247 CC(N)Cc1ccc2OCOc2c1
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50020221 CCCN(CCC)C1CCc2c(O)cccc2C1
BDBM50020222 CCCN(CCC)C1CCc2ccc(O)cc2C1
BDBM50179073 C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
BDBM50082405 O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082406 O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082407 OC(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082408 OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50009057 CNC(C)Cc1ccccc1
BDBM50180256 C[C@@H](N)Cn1ncc2ccc(O)cc12
BDBM50001114 COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50001115 O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
BDBM50041959 CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
BDBM50041961 CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
BDBM50136493 CC1=NCCc2c1[nH]c1ccccc21 |t:1|
BDBM50187383 CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
BDBM50187384 CCC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187385 CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
BDBM50187386 CC(C)S(=O)(=O)N1CCC(CN2CCN(CC2)c2cccc(NC(C)=O)c2)CC1
BDBM50187387 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187388 CC(C)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
BDBM50187389 O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
BDBM50187390 [H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)c1ncccn1
BDBM50187391 CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187392 CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187393 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
BDBM50187394 CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
BDBM50187395 Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NS(C)(=O)=O)c1
BDBM50159009 O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50143652 Clc1ccccc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143670 CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143671 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
BDBM50143672 FC(F)(F)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143673 Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143674 Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143675 CN(C(=O)CNCCN1C(=O)CC2(CCCC2)CC1=O)c1cc(Cl)ccc1Cl
BDBM50143676 Clc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:15|
BDBM50143677 CC1CN(CC(C)N1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
BDBM50143678 FC(F)(F)c1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50159012 C(C1COc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
BDBM50159013 O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
BDBM50159014 C(C1Cc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
BDBM50159015 C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
BDBM50159016 COc1ccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc2c1
BDBM50159010 COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
BDBM50159011 C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
BDBM50122813 Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50122814 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1ncccn1
BDBM50122815 Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
BDBM50103142 Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
BDBM50005265 COc1cc(CC(C)N)c(OC)cc1C
BDBM50131667 COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
BDBM50131668 COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
BDBM50131669 COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
BDBM50131670 COc1ccc2occ3CC[C@@H](CN)c1c23
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|
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50164450 O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
BDBM50016777 CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50135710 Cc1sc(C)c-2c1CCCc1c[nH]nc-21
BDBM50095027 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
BDBM50014945 CC(N)Cc1c[nH]c2ccc(O)cc12
BDBM50186255 COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
BDBM50081702 COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
BDBM50081704 COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
BDBM50048877 COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)=CCCc12 |c:25|
BDBM50004327 OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50007559 O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
BDBM50170191 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
BDBM50079527 CN(C)CC\C=C1\c2ccccc2COc2ccccc12
BDBM50191623 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50191624 NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
BDBM50060516 COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060517 COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50019422 O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2ccccc12
BDBM50020192 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
BDBM50060964 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50001966 CCCN(CCC)C1CN2C(=O)C(=O)c3cccc(C1)c23
BDBM50138485 CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14|
BDBM50001116 COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50001109 CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50001110 O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50001111 CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
BDBM50001112 OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50001113 NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
BDBM50049072 CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049074 CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1
BDBM50049075 NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
BDBM50275285 COc1cccc(CCc2ccccc2OCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
BDBM50143709 Clc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(Cl)c1
BDBM50143710 CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50049092 CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049077 CCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50187396 CC(C)S(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50187397 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)C2CCCCC2)CC1
BDBM50187398 CCCC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50306473 COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc12 |c:13|
BDBM50306474 COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc12 |c:13|
BDBM50306475 COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:19|
BDBM50275249 COc1cccc(CCc2ccccc2OCCCCCN2CCN(C)CC2)c1
BDBM50275250 COc1cccc(CCc2ccccc2OCCN2CCc3ccccc3C2)c1
BDBM50275138 COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ccccc2OC)c1
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50040171 CCCN1[C@@H](C)CC2[C@H]1CCc1cccc(OC)c21
BDBM50040173 CCCN1CCC2C1CCc1cccc(O)c21
BDBM50306460 Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13|
BDBM50306461 Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)c2c1 |c:13|
BDBM50306462 Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1 |t:8|
BDBM50306467 COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:12|
BDBM50275163 COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccccc2OC)c1
BDBM50275164 COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ccccc2OC)c1
BDBM50102368 FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccn2)c2ccccc2)cc1
BDBM50102369 Clc1ccc(cc1)N1CCN(CCC(=O)c2ccsc2)CC1
BDBM50102370 COc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50102371 COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
BDBM50102372 OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1cccs1
BDBM50164343 Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
BDBM50261124 FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50261126 COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50260981 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50252178 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,11.14,(15.69,-14.56,;15.99,-16.07,;17.46,-16.56,;17.76,-18.07,;16.6,-19.08,;16.59,-20.62,;15.12,-21.08,;14.23,-19.83,;12.69,-19.81,;11.93,-18.47,;10.38,-18.45,;9.61,-19.78,;10.37,-21.12,;11.9,-21.14,;8.07,-19.77,;7.29,-21.1,;5.75,-21.09,;5,-19.76,;5.77,-18.43,;7.31,-18.43,;3.45,-19.75,;2.69,-21.08,;1.15,-21.08,;.38,-19.73,;1.16,-18.4,;.4,-17.08,;1.17,-15.75,;2.71,-15.76,;3.47,-17.09,;2.69,-18.41,;15.15,-18.59,;14.84,-17.08,)|
BDBM50252179 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,wD:11.14,(34.61,-14.19,;34.91,-15.7,;36.38,-16.2,;36.68,-17.71,;35.52,-18.72,;35.51,-20.25,;34.04,-20.71,;33.15,-19.47,;31.61,-19.45,;30.82,-20.78,;29.29,-20.76,;28.53,-19.42,;29.3,-18.09,;30.85,-18.11,;26.99,-19.41,;26.21,-20.74,;24.67,-20.73,;23.91,-19.39,;24.69,-18.06,;26.23,-18.06,;22.37,-19.38,;21.61,-20.72,;20.07,-20.71,;19.3,-19.37,;20.08,-18.04,;19.32,-16.71,;20.09,-15.39,;21.63,-15.4,;22.39,-16.73,;21.61,-18.05,;34.07,-18.22,;33.76,-16.72,)|
BDBM50252180 N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,12.15,(-1.16,-24.06,;-.75,-25.56,;-.44,-27.07,;1.03,-27.57,;1.33,-29.08,;.17,-30.09,;.16,-31.62,;-1.31,-32.08,;-2.2,-30.84,;-3.74,-30.82,;-4.5,-29.48,;-6.05,-29.46,;-6.82,-30.79,;-6.06,-32.13,;-4.53,-32.15,;-8.36,-30.78,;-9.14,-32.11,;-10.68,-32.1,;-11.44,-30.76,;-10.66,-29.43,;-9.12,-29.43,;-12.98,-30.75,;-13.75,-32.09,;-15.3,-32.08,;-16.07,-30.74,;-15.27,-29.41,;-16.04,-28.08,;-15.27,-26.76,;-13.73,-26.77,;-12.98,-28.1,;-13.74,-29.42,;-1.29,-29.59,;-1.59,-28.09,)|
BDBM50252181 N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,wD:12.15,(17.07,-23.33,;17.49,-24.83,;17.79,-26.34,;19.26,-26.83,;19.56,-28.34,;18.4,-29.36,;18.39,-30.89,;16.92,-31.35,;16.03,-30.1,;14.49,-30.09,;13.7,-31.41,;12.17,-31.4,;11.41,-30.06,;12.18,-28.73,;13.73,-28.75,;9.87,-30.05,;9.09,-31.38,;7.55,-31.36,;6.79,-30.03,;7.57,-28.7,;9.11,-28.7,;5.25,-30.02,;4.49,-31.35,;2.95,-31.35,;2.18,-30.01,;2.96,-28.68,;2.2,-27.35,;2.97,-26.03,;4.51,-26.03,;5.27,-27.37,;4.49,-28.69,;16.95,-28.86,;16.64,-27.36,)|
BDBM50267831 O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
BDBM50267832 O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
BDBM50252692 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
BDBM50253086 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C1
BDBM50253087 CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
BDBM50143691 Clc1ccc(Cl)c(c1)C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50161214 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50049088 CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1
BDBM50102388 COc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccccc1OC
BDBM50102389 COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50102390 OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1csc2ccccc12
BDBM50102391 FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccc2Cl)c2ccccc2)cc1
BDBM50102392 OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1
BDBM50102393 COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
BDBM50102394 OC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
BDBM50102395 COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
BDBM50102396 O=C(CCN1CCN(CC1)c1ncccn1)c1ccccc1
BDBM50158023 Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
BDBM50277249 C(Cc1cn[nH]c1)N1CCCC(C1)c1ccnc(NC2CC2)n1
BDBM50275251 COc1cccc(CCc2ccccc2OCCCN2CCc3ccccc3C2)c1
BDBM50275252 COc1cccc(CCc2ccccc2OCCCCN2CCc3ccccc3C2)c1
BDBM50049089 CCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049091 CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50040169 COc1cccc2CC[C@@H]3C(CCN3CCc3ccccc3)c12
BDBM50040170 COc1cccc2C3CCN(CC=C)[C@@H]3CCc12
BDBM50158026 Fc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
BDBM50158027 COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
BDBM50306478 Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:8|
BDBM50306479 Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccccc23)CC1 |t:12|
BDBM50306480 C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
BDBM50306468 COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc2c1 |c:12|
BDBM50306469 COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc2c1 |c:12|
BDBM50306470 COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1 |c:12|
BDBM50306471 COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc12 |c:13|
BDBM50306472 COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc12 |c:13|
BDBM50020706 CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
BDBM50102404 FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ncccn2)c2ccccc2)cc1
BDBM50102405 COc1ccccc1N1CCN(CCC(N=O)c2csc3ccccc23)CC1
BDBM50102406 OC(CCN1CCN(CC1)c1ccc(F)cc1)c1ccccc1
BDBM50102407 OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccsc1
BDBM50102408 COc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(cc1)C(F)(F)F
BDBM50102409 Clc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
BDBM50102410 Oc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50187376 CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)CC1
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50187378 Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(=O)C2CC2)c1
BDBM50187379 CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
BDBM50187380 Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1ccccc1
BDBM50232152 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50241143 CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|
BDBM50191635 CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191636 COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50191637 COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50191638 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50191639 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
BDBM50175309 Cc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
BDBM50175310 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2OC)CC1
BDBM50175311 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
BDBM50175312 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Cl)cc2)CC1
BDBM50191622 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50150085 Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
BDBM50150086 COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
BDBM50150087 Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCOc34)c2c1
BDBM50150088 COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
BDBM50150090 Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1
BDBM50252219 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,11.14,(35.4,-23.67,;35.71,-25.18,;37.17,-25.67,;37.47,-27.18,;36.32,-28.2,;36.3,-29.73,;34.83,-30.19,;33.94,-28.94,;32.4,-28.93,;31.64,-27.59,;30.1,-27.57,;29.33,-28.9,;30.08,-30.24,;31.62,-30.25,;27.79,-28.89,;27.01,-30.22,;25.47,-30.2,;24.71,-28.87,;25.49,-27.54,;27.02,-27.54,;23.17,-28.86,;22.4,-30.19,;20.86,-30.19,;20.09,-28.85,;20.87,-27.52,;20.12,-26.19,;20.88,-24.87,;22.43,-24.87,;23.18,-26.21,;22.41,-27.53,;34.86,-27.7,;34.56,-26.2,)|
BDBM50087032 CN1CCc2ccc3[C@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
BDBM50274223 CNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50150079 C(CCc1c[nH]c2ccccc12)CNCCOc1cccc2[nH]ccc12
BDBM50150080 Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
BDBM50150081 Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1
BDBM50150082 COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
BDBM50150083 COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
BDBM50150084 Fc1ccc2[nH]cc(CCNCCOc3cccc4OCCOc34)c2c1
BDBM50150091 COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12
BDBM50150092 C(CNCCOc1cccc2nc[nH]c12)Cc1c[nH]c2ccccc12
BDBM50150093 Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1
BDBM50150094 Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCOc34)c2c1
BDBM50150096 Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1
BDBM50150097 Fc1cc2CCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
BDBM50175514 CCN(CC)C(=O)[C@]1(CC1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
BDBM50028066 N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50153621 O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1 |c:22|
BDBM50153625 O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:22|
BDBM50153626 C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:8|
BDBM50153629 C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12 |c:8|
BDBM50086065 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
BDBM50260644 COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
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|
BDBM50145600 C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
BDBM50145601 O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
BDBM50262930 Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
BDBM50149710 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1
BDBM50275282 COc1cccc(CCc2ccccc2OCCCCCN2CCc3ccccc3C2)c1
BDBM50275283 COc1cccc(CCc2ccccc2OCCN2CCc3cc(OC)c(OC)cc3C2)c1
BDBM50275284 COc1cccc(CCc2ccccc2OCCCN2CCc3cc(OC)c(OC)cc3C2)c1
BDBM50130445 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3)nc12
BDBM50130446 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCC3)nc12
BDBM50130447 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccsc3)nc12
BDBM50130448 CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50275324 COc1cccc(CCc2ccccc2OCCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
BDBM50275218 COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ncccn2)c1
BDBM50275219 COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ncccn2)c1
BDBM50149711 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
BDBM50149712 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4s3)CC2)c1Cl
BDBM50231437 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2|
BDBM50231438 O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:11.11|
BDBM50231439 Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231440 O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231441 CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:5.4|
BDBM50231442 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1 |w:3.2|
BDBM50231443 CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50251878 CCn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:5.4,wD:8.11,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.63,-15.52,;8.09,-15.5,;7.34,-14.16,;8.11,-12.83,;9.66,-12.85,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
BDBM50251879 CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.4,-12.91,;29.85,-12.89,;29.08,-14.22,;29.84,-15.56,;31.37,-15.58,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)|
BDBM50251881 CC(C)n1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(-3.33,-24.68,;-4.73,-24.04,;-4.88,-22.51,;-5.99,-24.94,;-7.45,-24.44,;-8.36,-25.68,;-9.89,-25.67,;-10.65,-24.32,;-12.21,-24.31,;-12.99,-25.64,;-12.22,-26.98,;-10.68,-26.99,;-14.52,-25.62,;-15.29,-26.95,;-16.83,-26.94,;-17.58,-25.61,;-16.81,-24.28,;-15.28,-24.28,;-19.13,-25.61,;-19.89,-24.27,;-21.42,-24.26,;-22.21,-25.59,;-21.45,-26.93,;-21.92,-28.4,;-20.67,-29.31,;-19.41,-28.4,;-19.9,-26.93,;-7.47,-26.93,;-7.81,-28.42,;-6.68,-29.46,;-5.21,-29,;-4.88,-27.51,;-6,-26.48,;-7.02,-30.96,;-7.43,-32.45,)|
BDBM50277144 CC1(CC1)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50103842 C(N1CCN(CC1)c1cccc2OCOc12)c1cccc(c1)-c1ccccc1
BDBM50103843 O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1
BDBM50103844 C(N1CCN(CC1)c1cccc2NCCCc12)c1cccc(c1)-c1ccccc1
BDBM50103845 Clc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
BDBM50052865 CN1CCc2cccc3-c4ccccc4C[C@@H]1c23
BDBM50052869 CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
BDBM50058283 C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccccc1
BDBM50227866 CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.39,8.9,18.22,13.14,16.16,t:10,TLB:1:3:10.35.9:7.5.6,TEB:20:18:12:14.15|
BDBM50202333 CN1CCc2ccc3c4c2[C@H]1Cc1cccc([nH]c3=O)c41
BDBM50220910 O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
BDBM50220911 O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50220912 OC(CNC1CCCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
BDBM50220913 CC(C)NCC(O)CCOc1cccc2[nH]ccc12 |w:5.5|
BDBM50220914 OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
BDBM50220915 CCC(CC)NCC(O)COc1cccc2[nH]ccc12 |w:7.7|
BDBM50220916 C[C@](O)(CNC1CCCCC1)COc1cccc2[nH]ccc12
BDBM50220917 OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50220918 OC(CNC1CCCC1)COc1cccc2[nH]ccc12 |w:1.0|
BDBM50220919 OC(CCOc1cccc2[nH]ccc12)CNC1CCCCC1 |w:1.0|
BDBM50220920 OC(CCNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
BDBM50220921 C(CNC1CCCC1)COc1cccc2[nH]ccc12
BDBM50220922 O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)|
BDBM50220923 C(CNC1CCCCC1)COc1cccc2[nH]ccc12
BDBM50220924 OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
BDBM50231444 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1 |w:3.2|
BDBM50231445 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1 |w:3.2|
BDBM50231446 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1 |w:3.2|
BDBM50091438 Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
BDBM50153620 C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8|
BDBM50219102 Cc1cccc(n1)-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219103 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50219104 Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50219105 COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
BDBM50219106 [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219107 COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50072744 O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
BDBM50175525 COc1cccc2C(CN(C)CCc3cccc(F)c3)CCCc12
BDBM50216039 O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
BDBM50131357 Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
BDBM50131359 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50131351 COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50216047 COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
BDBM50216048 O=C1N(CCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
BDBM50309505 Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
BDBM50309506 C1CC(CCN1)c1cccnc1Oc1ccccc1
BDBM50309507 Fc1ccccc1Oc1ncccc1C1CCNCC1
BDBM50309508 Clc1ccccc1Oc1ncccc1C1CCNCC1
BDBM50309509 COc1ccccc1Oc1ncccc1C1CCNCC1
BDBM50309510 Cc1ccccc1Oc1ncccc1C1CCNCC1
BDBM50309511 FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
BDBM50309512 Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
BDBM50309513 Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
BDBM50309514 Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
BDBM50309515 Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
BDBM50309516 Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
BDBM50309517 Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
BDBM50309518 COc1cccc(F)c1Oc1ncccc1C1CCNCC1
BDBM50309519 Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
BDBM50309520 Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
BDBM50160603 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.66,4.62,;-9.21,4.64,;-9.98,3.31,;-9.22,1.97,;-7.69,1.96,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
BDBM50156402 CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156404 CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50309521 Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
BDBM50309522 Clc1ccccc1Oc1ncccc1N1CCNCC1
BDBM50309523 Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
BDBM50160601 COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:15.19,12.12,(-6.23,2.4,;-7.55,1.63,;-7.55,.09,;-8.91,-.7,;-8.91,-2.24,;-7.55,-3.01,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.69,-1.52,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.37,;2.83,1.21,;2.36,-.24,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.46,2.78,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.46,-1.03,;5.46,.53,)|
BDBM50160602 COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.51,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
BDBM50197829 COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
BDBM50064706 COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
BDBM50160604 COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,wD:17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.49,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
BDBM50160605 COc1ccccc1OCCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:12.12,wD:15.19,(-6.22,2.4,;-7.55,1.61,;-7.55,.09,;-8.91,-.68,;-8.91,-2.24,;-7.55,-2.99,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.68,-1.5,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.36,;2.83,1.23,;2.36,-.26,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.47,2.79,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.47,-1.03,;5.47,.51,)|
BDBM50160606 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
BDBM50160607 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:8.7,11.14,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.59,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
BDBM50160608 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:11.14,wD:8.7,(5.88,4.43,;6.21,2.92,;7.68,2.47,;8,.97,;6.87,-.05,;6.88,-1.62,;5.42,-2.08,;4.51,-.86,;2.99,-.87,;2.2,.48,;.65,.46,;-.12,-.87,;.68,-2.22,;2.22,-2.2,;-1.63,-.89,;-2.42,.44,;-3.96,.44,;-4.75,1.77,;-6.32,1.75,;-7.06,.4,;-8.61,.37,;-9.37,-.96,;-8.58,-2.29,;-7.02,-2.27,;-6.28,-.94,;-4.74,-.92,;5.41,.41,;5.09,1.89,)|
BDBM50160609 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
BDBM50160610 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:8.7,11.14,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
BDBM50160611 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:11.14,wD:8.7,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.6,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
BDBM50160612 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
BDBM50160613 Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
BDBM50160614 Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)|
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50103826 Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1
BDBM50103827 Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)n1
BDBM50210641 C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1
BDBM50210642 C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N
BDBM50052867 CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
BDBM50103828 O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccc(c4)C#N)CC3)c2o1
BDBM50274358 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CC5)c4C3)c2c1
BDBM50274359 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCC5)c4C3)c2c1
BDBM50274361 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NCC5CC5)c4C3)c2c1
BDBM50103846 Fc1ccc(cc1)-c1cc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)ccn1
BDBM50103847 O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4C#N)CC3)c2o1
BDBM50103848 COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
BDBM50277131 CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
BDBM50261729 Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
BDBM50107234 COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
BDBM50107235 COc1cccc2c(CCCNCCOc3ccccn3)cccc12
BDBM50119386 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
BDBM50119388 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
BDBM50202298 CN1CCc2ccc3[nH]c(=O)c4cccc5C[C@@H]1c2c3c45
BDBM50119382 COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1
BDBM50119383 Clc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4[Te]3)CC2)c1Cl |t:17|
BDBM50119384 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
BDBM50119385 COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
BDBM50119390 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
BDBM50119391 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50253281 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
BDBM50253282 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
BDBM50253283 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
BDBM50253284 CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
BDBM50274185 NC(=O)c1ccc(Cl)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50274186 NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50191613 CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191614 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50191615 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
BDBM50265376 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50262929 Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
BDBM50277210 C(Cc1csc2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
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,)|
BDBM50131346 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131347 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50231447 CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3|
BDBM50231448 CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4|
BDBM50260540 Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50102403 COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccsc2)CC1
BDBM50165417 Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50165418 Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
BDBM50165419 Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50158032 Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
BDBM50158039 Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCNCC2)c2ccc(Cl)cc12
BDBM50191634 CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50161242 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
BDBM50159005 O=C1C(CN2CCC(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50159006 O=C1C(CN2CCC(Cc3ccccc3)CC2)CCCc2ccccc12
BDBM50159007 O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12
BDBM50128388 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cccc4s3)cccc2[nH]1
BDBM50128389 O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(Cl)cccc2s1
BDBM50128390 Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(F)cccc4s3)cccc2[nH]1
BDBM50128391 CC(C)Oc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
BDBM50116767 CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
BDBM50049093 CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
BDBM50057128 COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
BDBM50135253 COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.17.12:14.15|
BDBM50113332 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
BDBM50003659 NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
BDBM50151982 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
BDBM50135246 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1
BDBM50135247 COc1cc(OC)c2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
BDBM50135248 COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(cc12)C(N)=O |THB:19:18:11.17.12:14.15|
BDBM50135249 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1
BDBM50135250 COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
BDBM50135251 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1
BDBM50182556 CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
BDBM50182560 CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
BDBM50182563 CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50101650 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101656 COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101657 CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
BDBM50101658 COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101659 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101660 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101661 COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101662 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101663 COc1ccccc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101664 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101665 COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101666 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50275101 COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2cccc(Cl)c2)c1
BDBM50250422 COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
BDBM50142634 CC(C)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
BDBM50142635 COc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50142636 CC(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1ncc(F)cn1
BDBM50142637 OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
BDBM50142638 CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncccn1
BDBM50142639 OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ccc(F)cc1
BDBM50142640 COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50167930 [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
BDBM50275165 COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccc(F)cc2)c1
BDBM50275166 COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ccc(F)cc2)c1
BDBM50275102 COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
BDBM50105105 Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105109 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105110 O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
BDBM50049096 CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049099 CCc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50130161 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
BDBM50130151 C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
BDBM50130152 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
BDBM50130338 COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
BDBM50252333 C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ncccc12 |r,wU:5.6,2.24,(11.14,2.18,;12.69,2.16,;13.45,.82,;12.67,-.51,;11.13,-.5,;10.37,.85,;8.83,.86,;8.05,-.47,;6.51,-.46,;5.75,.87,;6.52,2.21,;8.06,2.2,;4.2,.88,;3.43,-.45,;1.89,-.45,;1.12,.9,;1.9,2.23,;1.44,3.7,;2.69,4.59,;3.93,3.68,;3.44,2.22,;15,.8,;15.89,-.45,;17.36,.01,;17.38,1.55,;18.53,2.56,;18.23,4.08,;16.76,4.57,;15.61,3.55,;15.92,2.05,)|
BDBM50252334 C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ncccc12 |r,wU:2.24,wD:5.6,(30.15,.24,;31.69,.22,;32.48,1.55,;31.72,2.89,;30.17,2.91,;29.4,1.58,;27.85,1.59,;27.08,.26,;25.53,.27,;24.77,1.61,;25.55,2.94,;27.09,2.94,;23.23,1.61,;22.46,.28,;20.92,.28,;20.15,1.63,;20.93,2.96,;20.47,4.43,;21.72,5.32,;22.95,4.41,;22.47,2.95,;34.02,1.53,;34.91,.28,;36.39,.74,;36.4,2.28,;37.56,3.3,;37.26,4.81,;35.79,5.3,;34.64,4.28,;34.94,2.78,)|
BDBM50060518 COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060519 CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50145073 Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
BDBM50145075 C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50034364 COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
BDBM50105061 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50253062 CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
BDBM50135238 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cccc2s1
BDBM50135239 COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
BDBM50135240 COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)C(C)(C)C1
BDBM50135241 C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
BDBM50135242 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(Cl)ccc2s1
BDBM50135243 C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
BDBM50135244 C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(F)cc2s1
BDBM50135245 COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
BDBM50130421 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)C#N)nc12
BDBM50130426 CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50253088 COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
BDBM50253089 CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
BDBM50159019 O=C1C(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
BDBM50159020 C(C1CCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
BDBM50159021 C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
BDBM50159022 C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
BDBM50159023 O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12
BDBM50159024 C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
BDBM50159025 COc1ccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc2c1
BDBM50159026 O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12
BDBM50159028 C(C1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
BDBM50159029 O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
BDBM50159030 O=C1C(CN2CCC(Cc3ccccc3)CC2)COc2ccccc12
BDBM50159031 COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
BDBM50275136 COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
BDBM50275147 CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
BDBM50178607 Fc1ccc2[nH]cc(CCNCC3CN(c4ccccc4)c4ccccc4O3)c2c1
BDBM50178608 Fc1ccc2[nH]cc(CCNCC3CN(Cc4ccccc4)c4ccccc4O3)c2c1
BDBM50072749 OC(CNCCCCCCNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
BDBM50082414 C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082415 O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50178623 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50074171 O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
BDBM50033444 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(CN)cc3)cc12
BDBM50182578 CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
BDBM50182579 CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
BDBM50178591 COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
BDBM50178592 Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
BDBM50274487 COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1
BDBM50274488 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(Cl)cc12)C1CCC1
BDBM50182571 CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
BDBM50102365 COc1ccc(OC(CCN2CCN(CC2)c2ccccc2OC)c2ccccc2)cc1
BDBM50191625 CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191626 CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191627 COc1cccc2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
BDBM50191628 COc1cccc2OCC(Cc12)N(C)CCCc1c[nH]c2ccc(F)cc12
BDBM50191629 NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
BDBM50191632 CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
BDBM50191633 NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50267783 O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
BDBM50267784 O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
BDBM50267786 O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
BDBM50094669 COc1cc2c(CCN(C)C)c[nH]c2cc1F
BDBM50094670 CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
BDBM50094671 CN(C)CCc1c[nH]c2cc(F)cc(O)c12
BDBM50159008 O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12
BDBM50143728 CC1(C)CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50261027 COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
BDBM50253549 OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50266578 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5|
BDBM50252659 Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
BDBM50184792 C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
BDBM50184795 COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
BDBM50175316 Clc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
BDBM50175317 COc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1OC)c2=O
BDBM50175318 Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2)CC1
BDBM50175319 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2C)CC1
BDBM50130436 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(C)c3)nc12
BDBM50130437 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccncc3)nc12
BDBM50130439 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccoc3)nc12
BDBM50130440 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CC3)nc12
BDBM50274607 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)CC1CC1
BDBM50175320 Cc1ccccc1-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
BDBM50175321 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(C)cc2)CC1
BDBM50175322 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2)CC1
BDBM50072745 O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
BDBM50072746 O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
BDBM50072747 OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2ccccc12
BDBM50072748 OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2[nH]ccc12
BDBM50082410 OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082411 OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082412 OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
BDBM50082413 CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
BDBM50267833 O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
BDBM50267834 O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
BDBM50309801 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#CC)c-31 |r|
BDBM50309802 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#C)c-31 |r|
BDBM50309803 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2CC(C)(C)Oc2c-31 |r|
BDBM50309804 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CC=C)c(O)c-31 |r|
BDBM50309805 [#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cccc-3c2-[#6@H]-1-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c-31 |r|
BDBM50309806 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC(C)=C)c-31 |r|
BDBM50309807 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC=C)c-31 |r|
BDBM50309808 C[C@@H]1Cc2ccc3C[C@H]4N(C)CCc5cccc(c45)-c3c2O1 |r|
BDBM50309809 C[C@H]1Cc2ccc3C[C@H]4N(C)CCc5cccc(c45)-c3c2O1 |r|
BDBM50309810 COc1cc2CCN(C)[C@@H]3Cc4ccc(CC=C)c(O)c4-c(c1)c23 |r|
BDBM50309812 CN1CCc2cccc-3c2[C@H]1Cc1ccc2cc(C)oc2c-31 |r|
BDBM50309813 CN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#C)c-31 |r|
BDBM50309814 CN1CCc2cccc-3c2[C@H]1Cc1ccc(CC=C)c(O)c-31 |r|
BDBM50309815 CN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC=C)c-31 |r|
BDBM50309816 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2c(C)c(C)oc2c-31 |r|
BDBM50309817 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2cc(C)oc2c-31 |r|
BDBM50309811 COc1cc2CCN(C)[C@@H]3Cc4cccc(OCC=C)c4-c(c1)c23 |r|
BDBM50178594 CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
BDBM50178595 CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
BDBM50178596 CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
BDBM50178597 CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
BDBM50178598 COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
BDBM50178599 C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
BDBM50178600 C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
BDBM50178601 CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
BDBM50074156 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
BDBM50274412 CN(C)C(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50274413 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
BDBM50274414 CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50286670 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50286671 COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50139353 CN(C)CCSC(C)(C)C
BDBM50074159 C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
BDBM50191630 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50102397 COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2cccs2)CC1
BDBM50102398 COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1
BDBM50102399 Oc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
BDBM50102400 COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50102401 Clc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
BDBM50178593 CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
BDBM50178602 C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
BDBM50178603 C(Cc1c[nH]c2ccccc12)NCC1CN(c2ccccc2)c2ccccc2O1
BDBM50178604 C(CNCC1CN(c2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
BDBM50178605 CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
BDBM50178606 CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
BDBM50197195 C(Cc1ccccc1OCc1cccnc1)c1ccccc1
BDBM50197196 COc1cccc(CCc2ccccc2OCc2cccnc2)c1
BDBM50197197 C(Cc1ccccc1OCc1ccccn1)c1ccccc1
BDBM50197198 COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1
BDBM50197199 C(Cc1ccccc1OCc1ccccc1)c1ccccc1
BDBM50197200 COc1cccc(CCc2ccccc2OCc2ccccn2)c1
BDBM50094672 CCN(CC)CCc1c[nH]c2cc(F)ccc12
BDBM50094673 CCN(CC)CCc1c[nH]c2ccc(OC)cc12
BDBM50094674 COc1ccc2[nH]cc(CCN(C)C)c2c1F
BDBM50094675 CCN(CC)CCc1c[nH]c2cccc(O)c12
BDBM50094676 CCN(CC)CCc1c[nH]c2ccccc12
BDBM50094677 CN(C)CCc1c[nH]c2c(F)ccc(O)c12
BDBM50277250 OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50277251 COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50281865 COc1ccc2OCCC(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1
BDBM50281866 COc1ccc2C(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)CCOc2c1
BDBM50277212 CC(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
BDBM50166899 C[C@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50166900 C[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50166901 C[C@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50166902 C[C@@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50210633 C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
BDBM50210634 C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
BDBM50210635 NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
BDBM50210637 C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
BDBM50210639 C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
BDBM50315020 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
BDBM50315021 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
BDBM50315022 Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315023 Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315024 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
BDBM50315025 Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315026 Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
BDBM50315027 FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
BDBM50281867 COc1cccc2OCCC(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)c12
BDBM50281868 COc1cccc2OCCC(CNCCCc3ccccc3)c12
BDBM50281869 COc1cccc2C(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)CCOc12
BDBM50281870 COc1ccc2C(CNCCCc3ccccc3)CCOc2c1
BDBM50281871 COc1ccc2OCCC(CNCCCc3ccccc3)c2c1
BDBM50281872 COc1cccc2C(CNCCCc3ccccc3)CCOc12
BDBM50143680 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143681 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C1CC1
BDBM50143682 Clc1ccc(Cl)c(c1)N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50259677 CN1[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3OCOc3cc21 |r,TLB:0:1:14.15.23:3.12.4|
BDBM50277213 O=C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)c1c[nH]c2ccccc12
BDBM50300666 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6]-c2ccc(-[#7]S(=O)(=O)c3ccc4ccccc4c3)cc-12 |w:4.3|
BDBM50300667 [#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:22.24|
BDBM50292383 CC[C@@]12CCCN3CC[C@@]4([C@H]13)C(=Nc1ccccc41)C(C2)C(=O)OC |r,c:13|
BDBM50292384 CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C([O-])=O)[C@H]23 |r|
BDBM50274527 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(Cl)cccc12)C1CCC1
BDBM50274531 CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1
BDBM50182548 CCCC(N1CCCC1)C(=O)c1cccc(C)c1
BDBM50182549 CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
BDBM50182550 CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
BDBM50182551 CCCC(N1CCCC1)C(=O)c1ccccc1C
BDBM50317419 CCCCCCCC(O)CCc1ccc(O)c(OC)c1
BDBM50317420 CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:15.15|
BDBM50317421 CCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:13.13|
BDBM50280055 CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
BDBM50305261 CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
BDBM50292385 CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C(=O)OC)[C@H]23 |r|
BDBM50292372 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50292374 CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O
BDBM50084855 Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM50274835 COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
BDBM50277129 C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
BDBM50277184 C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)[C@H]1COc2ccccc2O1 |r|
BDBM50274682 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
BDBM50274685 CCCN(CC1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
BDBM50240412 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
BDBM50274563 CCCN(CCCCn1ccc2c(F)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50274564 CCCN(CCCCn1ccc2cc(F)ccc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50266555 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5|
BDBM50267694 O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50267695 O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
BDBM50267696 COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
BDBM50266639 CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5|
BDBM50267655 O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
BDBM50313267 Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
BDBM50313269 CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50267737 O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50267738 O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
BDBM50313248 Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50253616 OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50253619 OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50253133 CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
BDBM50251611 Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
BDBM50251647 Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
BDBM50251648 O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
BDBM50252025 COc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:12.15,9.8,(13.16,-32.09,;14.63,-31.63,;14.97,-30.13,;16.44,-29.67,;16.77,-28.18,;15.65,-27.14,;15.67,-25.6,;14.21,-25.11,;13.29,-26.35,;11.75,-26.33,;11,-24.99,;9.45,-24.97,;8.68,-26.3,;9.43,-27.64,;10.97,-27.66,;7.14,-26.29,;6.36,-27.62,;4.82,-27.61,;4.06,-26.28,;4.84,-24.95,;6.38,-24.95,;2.53,-26.27,;1.77,-24.93,;.23,-24.92,;-.55,-26.25,;.21,-27.6,;-.27,-29.07,;.99,-29.98,;2.23,-29.07,;1.75,-27.6,;14.18,-27.59,;13.85,-29.09,)|
BDBM50252026 COc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(13.16,-32.09,;14.63,-31.63,;14.97,-30.13,;16.44,-29.67,;16.77,-28.18,;15.65,-27.14,;15.67,-25.6,;14.21,-25.11,;13.29,-26.35,;11.75,-26.33,;10.97,-27.66,;9.43,-27.64,;8.68,-26.3,;9.45,-24.97,;11,-24.99,;7.14,-26.29,;6.36,-27.62,;4.82,-27.61,;4.06,-26.28,;4.84,-24.95,;6.38,-24.95,;2.53,-26.27,;1.77,-24.93,;.23,-24.92,;-.55,-26.25,;.21,-27.6,;-.27,-29.07,;.99,-29.98,;2.23,-29.07,;1.75,-27.6,;14.18,-27.59,;13.85,-29.09,)|
BDBM50252027 Clc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(32.7,-30.17,;33.04,-28.67,;34.51,-28.21,;34.84,-26.72,;33.72,-25.68,;33.73,-24.14,;32.27,-23.65,;31.36,-24.89,;29.82,-24.87,;29.06,-23.53,;27.52,-23.51,;26.75,-24.84,;27.5,-26.18,;29.04,-26.2,;25.21,-24.83,;24.43,-26.16,;22.89,-26.15,;22.13,-24.82,;22.91,-23.49,;24.45,-23.49,;20.6,-24.81,;19.84,-23.47,;18.3,-23.46,;17.52,-24.79,;18.28,-26.14,;17.81,-27.61,;19.06,-28.52,;20.31,-27.61,;19.83,-26.14,;32.25,-26.13,;31.91,-27.63,)|
BDBM50300669 NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
BDBM50300670 CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
BDBM50300671 NC(=N)N\N=C1/CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
BDBM50300672 CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
BDBM50300673 [#6]-[#7](-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1)S(=O)(=O)c1c(Cl)nc2sccn12 |w:9.9|
BDBM50241836 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
BDBM50317422 CCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:11.11|
BDBM50317423 CCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:10.10|
BDBM50317865 CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50280934 CC(C)(C)NCC(O)COc1cccc2CCCSc12
BDBM50284089 CN1C2CCC1CC(C2)NC(=O)c1cnn2ccccc12 |THB:9:7:1:3.4|
BDBM50284090 CN1C2CCC1CC(C2)OC(=O)c1cnn2ccccc12 |THB:9:7:1:3.4|
BDBM50284082 CCCN[C@@H]1CCc2c(cccc2[C@@H]1C)C#N
BDBM50231456 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1 |w:3.2|
BDBM50231457 CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231458 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccccc1 |w:3.2|
BDBM50231459 CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:4.3|
BDBM50231460 CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50231449 FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:7.6|
BDBM50231454 FC(F)(F)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:7.6|
BDBM50231455 Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50133917 CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C
BDBM50129429 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
BDBM50252691 CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
BDBM50130461 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50231450 Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:10.10|
BDBM50231451 CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231452 Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231453 NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:1.0|
BDBM50277182 Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12
BDBM50277183 Fc1ccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c2c1
BDBM50251612 COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
BDBM50251613 Cc1ccc2c(c[nH]c2c1)C(=O)Nc1ccc(Oc2cccnc2C)nc1
BDBM50130457 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCCC3)nc12
BDBM50130458 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3C)nc12
BDBM50130459 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3[N+]([O-])=O)nc12
BDBM50315962 OC(CNCC1COc2ccccc2O1)COc1ccccc1F
BDBM50315963 OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl
BDBM50130467 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccs3)nc12
BDBM50130468 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc12
BDBM50267554 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50267555 COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
BDBM50316678 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1
BDBM50316679 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1
BDBM50316680 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1
BDBM50316681 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
BDBM50316682 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1
BDBM50316683 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1
BDBM50316684 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1
BDBM50316685 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(nc23)C(F)(F)F)c2ncccc2c1
BDBM50316686 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(cnc23)C(F)(F)F)c2ncccc2c1
BDBM50316687 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
BDBM50243853 FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCCOc2cccc3[nH]c(=S)[nH]c23)CC1
BDBM50316673 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1
BDBM50316674 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(C)cc(C)nc23)c2ncccc2c1
BDBM50316675 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(F)cc3cccnc23)c2ncccc2c1
BDBM50316676 COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3ccc(nc23)C(F)(F)F)c2ncccc2c1
BDBM50316677 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1
BDBM50316688 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1
BDBM50316689 COc1cc(N2CCN(CC2)C2CCN(CC2)c2c(F)ccc3cccnc23)c2ncccc2c1
BDBM50316690 COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1
BDBM50317424 CCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:8.8|
BDBM50317425 CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
BDBM50317426 CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
BDBM50098547 CN1CCc2cccc-3c2[C@H]1Cc1cccc(c-31)-c1c(OS(=O)(=O)C(F)(F)F)cccc1OS(=O)(=O)C(F)(F)F |wD:10.11,(14.3,-16.35,;14.3,-14.82,;15.64,-14.08,;15.64,-12.52,;14.33,-11.75,;14.33,-10.22,;12.99,-9.42,;11.65,-10.19,;11.65,-11.75,;12.99,-12.52,;12.99,-14.05,;11.65,-14.82,;10.31,-14.05,;9,-14.82,;7.66,-14.05,;7.66,-12.52,;9,-11.75,;10.31,-12.52,;8.93,-10.06,;7.56,-9.39,;6.32,-10.29,;4.91,-9.62,;5.9,-8.47,;3.67,-10.51,;4.79,-8.08,;6.06,-7.22,;3.41,-7.45,;4.79,-6.55,;7.44,-7.86,;8.71,-7,;10.08,-7.67,;10.21,-9.17,;11.74,-8.69,;11.93,-7.16,;10.69,-6.23,;13.34,-7.73,;13.34,-6.55,;13.53,-5.05,;14.77,-6.3,;11.97,-5.18,)|
BDBM50098548 O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
BDBM50098549 CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|
BDBM50098550 C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
BDBM50098551 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
BDBM50098545 CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c-31 |wD:10.11,(21.88,-10.26,;21.89,-8.74,;23.23,-7.99,;23.23,-6.44,;21.92,-5.67,;21.92,-4.11,;20.57,-3.33,;19.23,-4.1,;19.23,-5.65,;20.57,-6.44,;20.56,-7.98,;19.23,-8.74,;17.88,-7.98,;16.56,-8.74,;15.22,-7.98,;15.22,-6.44,;16.56,-5.67,;16.51,-3.95,;15.13,-3.3,;13.87,-4.17,;15,-1.76,;16.27,-.9,;17.66,-1.55,;17.79,-3.07,;19.31,-2.59,;17.88,-6.44,)|
BDBM50098546 COc1cccc(OC)c1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12 |wD:16.17,(7.32,-7.03,;8.71,-7.68,;9.98,-6.81,;9.85,-5.28,;11.11,-4.41,;12.5,-5.06,;12.63,-6.59,;14.14,-6.11,;14.33,-4.57,;11.35,-7.46,;11.39,-9.18,;10.07,-9.94,;10.07,-11.48,;11.39,-12.25,;12.73,-11.48,;14.07,-12.25,;15.39,-11.48,;16.72,-12.25,;16.7,-13.78,;18.06,-11.49,;18.06,-9.94,;16.75,-9.18,;16.75,-7.62,;15.41,-6.84,;14.07,-7.61,;14.07,-9.15,;15.41,-9.94,;12.73,-9.94,)|
BDBM50103832 C(N1CCN(CC1)c1cccc2ccoc12)c1cccc(c1)-c1ccccc1
BDBM50103833 Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
BDBM50103834 Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
BDBM50072754 CCN(CC)C(=O)[C@]1(C[C@H]1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
BDBM50072755 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12
BDBM50067812 CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|
BDBM50130268 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
BDBM50220925 O[C@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
BDBM50220926 C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
BDBM50220927 O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50220928 COC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:2.11|
BDBM50220929 OC(CNC1CCCCC1)COc1ccc2[nH]ccc2c1 |w:1.0|
BDBM50220930 COC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:2.17,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
BDBM50220931 OC(CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50220932 OC(CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50166906 C[C@@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50159175 Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
BDBM50069315 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
BDBM50033446 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(NC(=O)c4ccccc4)cc3)cc12
BDBM50033447 Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50167931 [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
BDBM50167933 [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
BDBM50167934 [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
BDBM50115716 C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
BDBM50115717 C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
BDBM50274526 COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12
BDBM50274528 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
BDBM50033435 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033437 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
BDBM50033438 NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033439 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12
BDBM50033440 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12
BDBM50033441 CS(=O)(=O)NCc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033442 CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50167935 c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
BDBM50167936 c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
BDBM50167937 [Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
BDBM50178587 CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
BDBM50178588 CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
BDBM50178589 COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
BDBM50178590 COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
BDBM50252028 Clc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(32.7,-30.17,;33.04,-28.67,;34.51,-28.21,;34.84,-26.72,;33.72,-25.68,;33.73,-24.14,;32.27,-23.65,;31.36,-24.89,;29.82,-24.87,;29.04,-26.2,;27.5,-26.18,;26.75,-24.84,;27.52,-23.51,;29.06,-23.53,;25.21,-24.83,;24.43,-26.16,;22.89,-26.15,;22.13,-24.82,;22.91,-23.49,;24.45,-23.49,;20.6,-24.81,;19.84,-23.47,;18.3,-23.46,;17.52,-24.79,;18.28,-26.14,;17.81,-27.61,;19.06,-28.52,;20.31,-27.61,;19.83,-26.14,;32.25,-26.13,;31.91,-27.63,)|
BDBM50277130 C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
BDBM50277211 C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)C1Cc2ccccc2C1
BDBM50033436 CS(=O)(=O)NCc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50252128 Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:16.18,19.25,(-18.8,-3.58,;-18.81,-5.12,;-17.56,-6.03,;-18.04,-7.5,;-17.29,-8.84,;-18.06,-10.17,;-19.61,-10.17,;-20.38,-8.82,;-19.58,-7.49,;-20.06,-6.02,;-15.74,-8.85,;-14.99,-10.18,;-13.44,-10.19,;-12.66,-8.86,;-13.43,-7.52,;-14.96,-7.51,;-11.12,-8.87,;-10.34,-7.54,;-8.79,-7.56,;-8.03,-8.9,;-8.82,-10.23,;-10.36,-10.22,;-6.5,-8.92,;-5.61,-10.16,;-4.14,-9.7,;-4.13,-8.17,;-2.99,-7.17,;-3.29,-5.66,;-4.74,-5.18,;-5.89,-6.19,;-5.59,-7.68,)|
BDBM50252129 Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.25,wD:16.18,(-.68,-4.45,;-.69,-6,;.55,-6.91,;.07,-8.37,;.83,-9.72,;.06,-11.05,;-1.49,-11.05,;-2.25,-9.7,;-1.47,-8.37,;-1.94,-6.9,;2.37,-9.72,;3.13,-11.06,;4.67,-11.07,;5.45,-9.74,;4.69,-8.39,;3.15,-8.39,;6.99,-9.75,;7.75,-11.09,;9.28,-11.11,;10.07,-9.78,;9.31,-8.43,;7.76,-8.42,;11.6,-9.79,;12.49,-11.04,;13.95,-10.58,;13.96,-9.05,;15.11,-8.04,;14.81,-6.54,;13.36,-6.05,;12.21,-7.06,;12.52,-8.56,)|
BDBM50252130 FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.21,22.28,(18.54,-3.2,;18.56,-4.75,;20.1,-4.75,;17.01,-4.76,;18.55,-6.29,;19.79,-7.21,;19.3,-8.67,;20.07,-10.01,;19.29,-11.34,;17.75,-11.34,;16.98,-9.99,;17.76,-8.66,;17.29,-7.19,;21.6,-10.02,;22.36,-11.35,;23.91,-11.36,;24.68,-10.03,;23.92,-8.69,;22.38,-8.69,;26.22,-10.04,;27,-8.71,;28.55,-8.73,;29.31,-10.07,;28.52,-11.4,;26.98,-11.39,;30.84,-10.09,;31.73,-11.33,;33.19,-10.87,;33.2,-9.35,;34.35,-8.34,;34.05,-6.84,;32.59,-6.35,;31.45,-7.36,;31.75,-8.85,)|
BDBM50130434 COc1cccc(c1)C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130435 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(F)c3)nc12
BDBM50175313 COc1ccccc1-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
BDBM50175314 COc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
BDBM50175315 Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
BDBM50275061 COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2cccc(Cl)c2)c1
BDBM50186248 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:23:24:27.28:30|
BDBM50186249 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1
BDBM50186250 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:26:27:25.24.30:31,THB:28:27:24:30.29.31,28:29:26.27.32:24,26:25:27.32.28:31|
BDBM50186251 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
BDBM50186252 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C3CCCCC3)C2=O)CC1
BDBM50186253 COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 |r|
BDBM50186254 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1
BDBM50130432 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
BDBM50130433 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12
BDBM50186232 COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)CC2CC3CCC2C3)CC1
BDBM50186233 COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1
BDBM50186234 COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
BDBM50267785 O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
BDBM50101651 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101652 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
BDBM50186239 COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2CCCCC2)CC1
BDBM50186240 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
BDBM50130419 CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)nc12
BDBM50130420 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccco3)nc12
BDBM50186235 COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2CC3CCC2C3)CC1
BDBM50186236 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:22:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
BDBM50186237 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r|
BDBM50186238 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1
BDBM50186241 COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
BDBM50186242 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r|
BDBM50186243 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:24:25:28.29:31|
BDBM50186244 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
BDBM50186245 COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |r,TLB:24:26:29.28.33:31,THB:24:26:29:33.32.31,27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
BDBM50186246 COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1
BDBM50186247 COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |TLB:22:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
BDBM50191616 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191617 CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191618 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
BDBM50191619 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
BDBM50191620 CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50191621 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
BDBM50035508 COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1
BDBM50101653 COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
BDBM50101654 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
BDBM50101655 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50061303 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
BDBM50061304 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
BDBM50275135 COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
BDBM50275137 COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccccc2OC)c1
BDBM50267739 O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
BDBM50267740 O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
BDBM50277214 C(Cc1cscn1)N1CCCC(C1)c1ccnc(NC2CC2)n1
BDBM50102402 COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccsc2)CC1
BDBM50102360 [O-][N+](=O)c1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
BDBM50102361 OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccsc1
BDBM50102362 COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
BDBM50102363 COc1ccccc1N1CCN(CCC(=O)c2ccc(s2)[N+]([O-])=O)CC1
BDBM50102364 OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc2ccccc2c1
BDBM50252693 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
BDBM50241119 O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1
BDBM50188474 Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
BDBM50188475 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
BDBM50188476 COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
BDBM50188477 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4CCc5ccc(CCc(cc4)c3o2)cc5)CC1
BDBM50188478 Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
BDBM50143697 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143698 CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143699 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
BDBM50143700 COc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143701 Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143702 COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143703 Clc1ccc(Cl)c(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143704 CN(CCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143705 COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143706 [O-][N+](=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143707 CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143692 CC(C)c1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143693 Brc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143694 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143695 Cc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143696 Clc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143708 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
BDBM50324093 CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
BDBM50324094 FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
BDBM50324095 CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
BDBM50324096 FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
BDBM50324097 CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM50324098 FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM50324099 C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
BDBM50324100 COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50274608 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)CC1CC1
BDBM50275099 COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2cccc(Cl)c2)c1
BDBM50275100 COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2cccc(Cl)c2)c1
BDBM50056443 CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50056444 CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50056445 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
BDBM50056446 CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50056447 CN(C)[C@@H]1Cc2cccc3ncn(C1)c23
BDBM50290666 CCCN(CCC)C1CCc2ccc3occc3c2C1
BDBM50209674 Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
BDBM50209676 CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:16.17|
BDBM50216040 COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
BDBM50216042 COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
BDBM50274263 OC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50274264 CCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50274265 CCCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50275193 COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccc(F)cc2)c1
BDBM50275220 COc1cccc(CCc2ccccc2OCCN2CCN(C)CC2)c1
BDBM50275221 COc1cccc(CCc2ccccc2OCCCN2CCN(C)CC2)c1
BDBM50139351 CN(C)CCSc1cccc(n1)C1CCCCC1
BDBM50139352 CN(C)CCSc1nc(cs1)C(C)(C)C
BDBM50275194 COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ccc(F)cc2)c1
BDBM50275195 COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ncccn2)c1
BDBM50275196 COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ncccn2)c1
BDBM50139363 CN(C)CCSc1ccnc(c1)-c1ccccc1
BDBM50290916 CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
BDBM50290918 COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50290919 COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50290921 COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
BDBM50290922 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
BDBM50290923 CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
BDBM50277180 Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
BDBM50277181 Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(C1)c1ccnc(NC2CC2)n1
BDBM50305341 Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10|
BDBM50324861 CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324862 CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324863 CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324865 CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
BDBM50324866 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
BDBM50324867 CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324868 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
BDBM50324870 CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50295053 Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12|
BDBM50295054 Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
BDBM50295055 Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
BDBM50295056 Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
BDBM50295057 C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r|
BDBM50295058 C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
BDBM50295059 C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
BDBM50295060 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
BDBM50295061 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(OC(F)(F)F)ccc5n4)COc3ccc2n1 |r|
BDBM50295062 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r|
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50295063 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r|
BDBM50295064 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r|
BDBM50295065 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
BDBM50295066 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r|
BDBM50291347 O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
BDBM50291348 CCCN1CCC[C@H]2[C@H]1CCc1ccc(O)cc21
BDBM50291349 CCCCCCN1CCc2c(C1)[nH]c1ccccc21
BDBM50291350 O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
BDBM50291351 O=C(N1CCc2ccccc12)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
BDBM50291352 O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
BDBM50291353 O=C1N(CCCCN2CCn3c(C2)cc2ccccc32)C(=O)c2ccccc12
BDBM50291354 COc1cccc2C[C@@H]3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
BDBM50324886 CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50324887 COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324888 COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324889 COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324890 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324891 COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324892 COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324893 COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324894 COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50290663 CCCN1CC[C@@H]2[C@H]1CCc1ccc3ccoc3c21
BDBM50290664 CCCN(CCC)C1CCc2ccc3ccoc3c2C1
BDBM50290665 CCCN(CCC)C1CCc2c(C1)ccc1ccoc21
BDBM50262881 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50309820 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(C)C=C)c-31 |r|
BDBM50309821 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC\C=C\C)c-31 |r|
BDBM50309822 CC1Cc2ccc3C[C@H]4N(C)CCc5cc(O)cc(c45)-c3c2O1 |r|
BDBM50309823 CCCN1CCc2cccc-3c2[C@H]1Cc1c(ccc(O)c-31)C(C)C=C |r|
BDBM50309824 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2C(C)C(C)Oc2c-31 |r|
BDBM50309825 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2CC(C)Oc2c-31 |r|
BDBM50309826 CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C(C)C=C)c(O)c-31 |r|
BDBM50274784 CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 |r|
BDBM50325743 COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
BDBM50290912 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
BDBM50290913 COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
BDBM50290914 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
BDBM50290915 COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
BDBM50324085 CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM50324086 FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM50324087 COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
BDBM50324088 CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
BDBM50324089 FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
BDBM50324090 CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
BDBM50324091 FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
BDBM50324092 COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
BDBM52429 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM50302568 CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
BDBM50285523 CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12
BDBM50323401 COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
BDBM50323402 COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
BDBM50305104 CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
BDBM50305105 CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
BDBM50305106 Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
BDBM50305107 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
BDBM50305108 Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
BDBM50285522 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N
BDBM50305109 O=C1NCc2ccc3OCC(Cc3c12)NCCCc1c[nH]c2ccc(cc12)C#N
BDBM50305110 O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
BDBM50305111 Fc1ccc2[nH]cc(CCCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
BDBM50305112 Fc1ccc2[nH]cc(CCCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
BDBM50267508 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50267509 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50267510 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50228645 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
BDBM50228646 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
BDBM50308182 N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
BDBM50252588 Fc1ccc2c(c[nH]c2c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:10.11,wD:13.18,(20.51,-14.6,;19.37,-13.55,;17.91,-14.01,;16.78,-12.97,;17.12,-11.48,;16.22,-10.23,;17.14,-9,;18.6,-9.49,;18.58,-11.03,;19.71,-12.06,;14.69,-10.22,;13.9,-11.54,;12.37,-11.53,;11.61,-10.19,;12.38,-8.86,;13.93,-8.88,;10.07,-10.18,;9.29,-11.51,;7.75,-11.49,;7,-10.16,;7.77,-8.83,;9.31,-8.83,;5.46,-10.16,;4.7,-8.82,;3.16,-8.81,;2.38,-10.14,;3.14,-11.49,;2.67,-12.96,;3.92,-13.86,;5.17,-12.95,;4.69,-11.48,)|
BDBM50252589 Fc1cccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
BDBM50252590 Fc1cccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,wD:9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
BDBM50252591 N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:12.15,9.8,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.55,-3.52,;27.01,-3.5,;26.23,-4.83,;26.99,-6.18,;28.52,-6.19,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
BDBM50252644 N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.52,-6.19,;26.99,-6.18,;26.23,-4.83,;27.01,-3.5,;28.55,-3.52,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
BDBM50252645 Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:7.10,4.3,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.18,-11.51,;-10.73,-11.49,;-11.52,-12.82,;-10.74,-14.16,;-9.21,-14.18,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
BDBM50252646 Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:4.3,wD:7.10,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.21,-14.18,;-10.74,-14.16,;-11.52,-12.82,;-10.73,-11.49,;-9.18,-11.51,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
BDBM50252647 CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:8.11,5.4,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.66,-12.85,;8.11,-12.83,;7.34,-14.16,;8.09,-15.5,;9.63,-15.52,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
BDBM50228647 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
BDBM50228648 CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
BDBM50033112 COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133230 C[C@@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133231 COc1cc(C[C@@H](C)N)c(OC)cc1I
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133233 CC(N)Cc1cn(C)c2ccc3OCCCc3c12
BDBM50139356 CN(C)CCSc1nc(cs1)-c1ccncc1
BDBM50139357 CN(C)CCSc1nc(cs1)-c1ccccc1
BDBM50150098 Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1
BDBM50150099 Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
BDBM50150100 C(CNCCOc1cccc2[nH]ccc12)Cc1c[nH]c2ccccc12
BDBM50150101 Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
BDBM50150102 C(CNCCOc1cccc2ccccc12)Cc1c[nH]c2ccccc12
BDBM50150673 COc1cccc(OC)c1-c1cccc2C[C@H](CCc12)N(C)C |wD:16.22,(2.58,2.38,;1.26,1.59,;-.09,2.35,;-.11,3.87,;-1.44,4.65,;-2.77,3.85,;-2.75,2.31,;-4.09,1.52,;-4.07,-.02,;-1.42,1.56,;-1.42,.02,;-2.73,-.76,;-2.73,-2.3,;-1.42,-3.07,;-.09,-2.3,;1.25,-3.07,;2.58,-2.32,;2.58,-.78,;1.25,.02,;-.09,-.76,;4.08,-2.72,;4.29,-4.24,;5.24,-1.69,)|
BDBM50150674 CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(2.5,-6.14,;2.29,-4.62,;3.51,-3.66,;3.3,-2.15,;4.44,-1.12,;5.91,-1.61,;7.07,-.59,;1.8,-1.75,;1.8,-.22,;.47,.58,;-.86,-.17,;-.86,-1.73,;.47,-2.5,;-2.18,-2.5,;-3.49,-1.73,;-3.49,-.17,;-2.18,.58,;-2.18,2.12,;-3.51,2.87,;-4.85,2.09,;-4.83,.54,;-3.56,4.41,;-2.21,5.19,;-.88,4.43,;-.86,2.92,;.47,2.16,;1.8,2.95,)|
BDBM50277146 CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
BDBM50277147 Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
BDBM50219108 [O-][n+]1ccccc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219109 CC(=O)OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:4.23|
BDBM50219110 OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
BDBM50219111 OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
BDBM50219112 Clc1cccc(N2CCN(C[C@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50219113 COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50219114 Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50219116 OC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
BDBM50219117 Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
BDBM50311076 COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1
BDBM50267507 COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
BDBM50240419 CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
BDBM50267556 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50267557 COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
BDBM50139360 CN(C)CCSc1nc2ccccc2s1
BDBM50139361 CN(C)CCSc1cccc(Br)n1
BDBM50182569 CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
BDBM50099382 CN1CCN(CC1)c1nc(C)nc(Cl)c1Sc1ccc(Cl)cc1
BDBM50099383 CN1CCN(CC1)c1nc2ccccc2c(Cl)c1Sc1ccccc1
BDBM50099384 CNc1nc(Cl)c(Sc2ccccc2)c(n1)N1CCN(C)CC1
BDBM50099385 O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50099386 Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1
BDBM50252491 C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(8.83,4.24,;10.37,4.23,;11.13,2.89,;10.35,1.56,;8.81,1.57,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50253550 OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
BDBM50150103 Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
BDBM50130450 CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12
BDBM50130451 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc12
BDBM50129425 Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50129426 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
BDBM50054757 CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054760 CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054761 CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054762 NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054764 COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
BDBM50057465 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50139354 CN(C)CCSc1cccc(n1)C1(O)CCCCC1
BDBM50139355 CN(C)CCSc1cccc(n1)-c1ccccc1
BDBM50274224 CNC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
BDBM50274225 COC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
BDBM50275248 COc1cccc(CCc2ccccc2OCCCCN2CCN(C)CC2)c1
BDBM50182553 CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
BDBM50209677 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:17.18|
BDBM50209679 Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
BDBM50209681 COc1cccc2OCC(Cc12)NCCCc1c[nH]c2ccc(F)cc12 |w:9.13|
BDBM50150104 Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
BDBM50150105 Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
BDBM50150106 Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
BDBM50150107 C(CNCCOc1cccc2cccnc12)Cc1c[nH]c2ccccc12
BDBM50263467 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCC)c-31 |r|
BDBM50252534 C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(8.81,1.57,;10.35,1.56,;11.13,2.89,;10.37,4.23,;8.83,4.24,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
BDBM50252535 Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:7.10,4.3,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.39,4.87,;26.85,4.89,;26.07,3.56,;26.83,2.22,;28.36,2.2,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
BDBM50252536 Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:4.3,wD:7.10,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.36,2.2,;26.83,2.22,;26.07,3.56,;26.85,4.89,;28.39,4.87,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
BDBM50252537 Fc1ccc2c(c[nH]c2c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:13.18,10.11,(20.51,-14.6,;19.37,-13.55,;17.91,-14.01,;16.78,-12.97,;17.12,-11.48,;16.22,-10.23,;17.14,-9,;18.6,-9.49,;18.58,-11.03,;19.71,-12.06,;14.69,-10.22,;13.93,-8.88,;12.38,-8.86,;11.61,-10.19,;12.37,-11.53,;13.9,-11.54,;10.07,-10.18,;9.29,-11.51,;7.75,-11.49,;7,-10.16,;7.77,-8.83,;9.31,-8.83,;5.46,-10.16,;4.7,-8.82,;3.16,-8.81,;2.38,-10.14,;3.14,-11.49,;2.67,-12.96,;3.92,-13.86,;5.17,-12.95,;4.69,-11.48,)|
BDBM50274360 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCCCC5)c4C3)c2c1
BDBM50033443 NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033445 NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50328623 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(O)(C4)C2)C3)nc1 |TLB:15:17:20.19.25:22,24:23:20:27.18.17,THB:18:19:22:27.17.26,18:17:20.19.25:22,26:17:20:25.23.22,26:23:20:27.18.17,15:17:20:25.23.22|
BDBM50328624 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cccs2)nc1
BDBM50328625 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccsc2)nc1
BDBM50328626 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccco2)nc1
BDBM50328627 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccoc2)nc1
BDBM50328628 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc(Br)cs2)nc1
BDBM50328629 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Br)s2)nc1
BDBM50328630 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sccc2Br)nc1
BDBM50328631 Cc1csc(c1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328632 Cc1ccc(s1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328633 Cc1ccsc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328634 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)s2)nc1
BDBM50328635 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sccc2Cl)nc1
BDBM50328636 CSc1ccc(s1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328637 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2csc3ccccc23)nc1
BDBM50328638 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2coc3ccccc23)nc1
BDBM50328640 COc1cscc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328641 COc1c(Br)scc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328642 COc1c(Cl)scc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
BDBM50328643 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccc3s2)nc1
BDBM50328644 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccc3o2)nc1
BDBM50328645 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cnn3ccccc23)nc1
BDBM50328646 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccn3n2)nc1
BDBM50328647 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C2=Cc3ccccc3[Te]2)nc1 |t:18|
BDBM50328648 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc3[nH]ccc3c2)nc1
BDBM50328649 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2scc3CCCCc23)nc1
BDBM50328650 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc(Br)c3OCCOc23)nc1
BDBM50328651 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3sccc3s2)nc1
BDBM50328652 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccsc3s2)nc1
BDBM50328653 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc3sccc3c2Cl)nc1
BDBM50328654 CN(Cc1ccc(C)cn1)CC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
BDBM50328655 Cc1ccc(CNCC2(O)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50327571 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2)CC1
BDBM50327572 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2F)CC1
BDBM50327573 C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1
BDBM50327574 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2F)CC1
BDBM50327575 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
BDBM50327577 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM50327578 Fc1ccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
BDBM50327579 Fc1cccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
BDBM50327580 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327581 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
BDBM50327582 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50327583 Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
BDBM50327584 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327585 Fc1cccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
BDBM50327586 Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327587 Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
BDBM50327588 C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
BDBM50327589 Clc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327590 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12
BDBM50327591 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327592 Fc1ccc2c(cccc2c1)N1CCN(CCCOc2cc3C(=O)NCc3cc2F)CC1
BDBM50327593 Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327594 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327595 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327596 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCc34)cc12
BDBM50327597 Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327598 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327599 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2)CC1
BDBM50327600 Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327601 Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
BDBM50327602 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50327603 Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
BDBM50327604 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
BDBM50327605 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
BDBM50327606 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
BDBM50327607 Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1
BDBM50327608 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
BDBM50327609 Fc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327610 Fc1cc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
BDBM50327611 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1
BDBM50327612 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
BDBM50327613 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCc34)cc12
BDBM50327614 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
BDBM50328656 Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 |r,TLB:7:8:12.13:16,THB:9:8:12.13:16|
BDBM50328657 Cc1ccc(CNCC2(O)CC3CCC(C2)N3C(=O)c2ccsc2)nc1 |TLB:7:8:12.13:16,THB:9:8:12.13:16|
BDBM50328658 Cc1ccc(CNCC2(O)CC3CCC(C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 |TLB:7:8:12.13:16,THB:9:8:12.13:16|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50338640 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
BDBM50338641 CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCCN2CCN(CC2)c2ccccc2OC)c-31
BDBM50338642 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
BDBM50295052 Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
BDBM50300486 COc1ccccc1N1CCN(CCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
BDBM50300487 COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
BDBM50300488 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
BDBM50299801 Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
BDBM50299802 Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
BDBM50299803 Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
BDBM50299804 Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
BDBM50299805 Fc1cccc(Oc2ccccc2N2CCNCC2)c1
BDBM50299806 Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
BDBM50299807 Fc1cccc(OCc2ccccc2N2CCNCC2)c1
BDBM50253130 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCc2ccccc2C1
BDBM50253131 CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
BDBM50253132 COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
BDBM50327615 Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327616 Clc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327617 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
BDBM50327618 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2cc3C(=O)NCc3cc2F)CC1
BDBM50327620 Fc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50327621 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
BDBM50327622 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
BDBM50327624 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327625 O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4OCCc34)cc12
BDBM50327626 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
BDBM50327627 Fc1ccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
BDBM50327628 O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
BDBM50327629 Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50327630 Clc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
BDBM50327631 Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
BDBM50328617 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccccc2)nc1
BDBM50328618 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc3ccccc3c2)nc1
BDBM50328619 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)nc1 |TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,15:17:20:24.23.22|
BDBM50328620 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CCCC(CCC2)C3)nc1
BDBM50328621 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC2CC(C3)C4)nc1 |TLB:22:21:25.23.24:18,THB:22:23:18:20.21|
BDBM50328622 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)nc1 |TLB:15:17:20.19.25:22,24:23:20:27.18.17,THB:18:19:22:27.17.26,18:17:20.19.25:22,26:17:20:25.23.22,26:23:20:27.18.17,15:17:20:25.23.22|
BDBM50339690 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
BDBM50339691 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
BDBM50334720 NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50334725 O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM50329675 COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
BDBM50329676 COc1cccc(CCN2CCN(CC2)c2ccccc2OC)c1
BDBM50329677 CCCCCN1CCN(CC1)c1ccccc1OC
BDBM50329678 CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(CC5)c5ccccc5OC)c4)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13|
BDBM50329679 [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(cc2)\[S+]=[#6]2\[#6](\[#6]-[#6]-[#6]\[#6]\2=[#6]/[#6]=[#6]2/[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])=[#6]\[#6]=[#6]2\[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])-[#6]-[#6]-1
BDBM50334731 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
BDBM50334732 Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334733 CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334734 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
BDBM78940 CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81497 CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
BDBM81498 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
BDBM82087 COc1ccc2[nH]cc(CCN)c2c1
BDBM50330511 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50330512 O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330516 Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM50330813 CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
BDBM50330814 CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM50330522 CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330524 CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330526 O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330533 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
BDBM81780 CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
BDBM81789 CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM50330462 O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12
BDBM50330465 Nn1c(CCCCN2CCN(CC2)c2ccc3ccc(O)cc3n2)nc2CCCCc2c1=O
BDBM50330468 Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
BDBM50330471 Nn1c(CCCCN2CCN(CC2)c2ccc3cc(O)ccc3n2)nc2CCCCc2c1=O
BDBM50330474 Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCc23)nc2CCCCc2c1=O
BDBM50330475 Cc1c(C)c2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
BDBM50330477 Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4s3)n(N)c(=O)c2c1C
BDBM50330480 Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330481 Nn1c(CCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330482 Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4nc3-c3ccccc3)n(N)c(=O)c2c1C
BDBM50330483 Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)[nH]c(=O)c2c1C
BDBM50330487 Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCCc23)nc2CCCCc2c1=O
BDBM50330488 Nn1c(CCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM81924 CCCN1CCCC(C1)c1cccc(O)c1
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM50330440 Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330442 Cc1cc2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
BDBM50330443 Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3cc2O)nc2CCCCc2c1=O
BDBM50330444 Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O
BDBM50330445 CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
BDBM50330446 Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
BDBM50330447 Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
BDBM50330448 Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O
BDBM50330449 Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C
BDBM50330450 O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
BDBM50330451 Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330452 Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12
BDBM50330453 Cc1cc(nc2ccccc12)N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
BDBM50330455 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O
BDBM50330457 Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
BDBM50330459 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
BDBM50330460 Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
BDBM50103830 C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1
BDBM50103831 O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccs4)CC3)c2o1
BDBM50274566 CCCN(CCCCn1ccc2cccc(F)c12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50316295 CN1CCc2[nH]c3ccc(cc3c2C1)S(=O)(=O)Nc1cccc(F)c1
BDBM50305090 Fc1ccc2[nH]cc(CCCNC3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
BDBM50305091 CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1
BDBM50305092 Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
BDBM50305093 Fc1ccc2[nH]cc(CCCNC3COc4ccc5CCNC(=O)c5c4C3)c2c1
BDBM50305094 CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
BDBM50305095 CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
BDBM50305096 CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
BDBM50305097 CC(C)N(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
BDBM50305098 Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
BDBM50305099 CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
BDBM50305100 Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
BDBM50305101 Fc1ccc2[nH]cc(CCCN(CCC(F)(F)F)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
BDBM50305102 Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CCNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
BDBM50305103 Fc1ccc2[nH]cc(CCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
BDBM50298788 COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(C3)c3ccccc3C)nn2)CC1
BDBM50298789 Cc1cccc(c1)C1CN(CCCc2cn(CCCN3CCN(CC3)c3ncccn3)nn2)CCc2cc(O)c(O)cc12
BDBM50298790 COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
BDBM50253208 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
BDBM50253209 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
BDBM50253210 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
BDBM50253211 CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
BDBM50299781 C(Oc1ccccc1C1CC1)c1ccccc1N1CCNCC1
BDBM50299782 Fc1cccc(OCc2ccccc2N2CCNCC2)c1F
BDBM50300482 COc1ccccc1N1CCN(CCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
BDBM50300483 COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
BDBM50300484 COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
BDBM50300485 COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
BDBM50300489 COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
BDBM50300490 COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50300491 COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50299783 Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
BDBM50299784 Fc1ccccc1COc1ccccc1N1CCNCC1
BDBM50299785 C1CN(CCN1)c1ccccc1Oc1ccccc1
BDBM50299786 Fc1cccc(C2CCNCC2)c1OCc1ccccc1
BDBM50299787 Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
BDBM50299788 Fc1cccc(Oc2ccccc2C2CCNCC2)c1
BDBM50299789 Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
BDBM50299790 C(Oc1ccccc1)c1ccccc1N1CCNCC1
BDBM50299791 Fc1cccc(Oc2ccccc2)c1C1CCNCC1
BDBM50299792 Fc1cccc(C2CCNCC2)c1Oc1ccccc1
BDBM50299793 Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
BDBM50299794 C(Oc1ccccc1C1CCNCC1)c1ccccc1
BDBM50299795 Fc1cccc(OCc2ccccc2)c1C1CCNCC1
BDBM50299796 Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
BDBM50299797 C(Oc1ccccc1N1CCNCC1)c1ccccc1
BDBM50299798 Clc1cccc(Oc2ccccc2C2CCNCC2)c1
BDBM50299799 Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
BDBM50299800 Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
BDBM50299808 Fc1ccccc1COc1ccccc1C1CCNCC1
BDBM50299809 Fc1cccc(OCc2ccccc2C2CCNCC2)c1
BDBM50299810 C1CC(CCN1)c1ccccc1Oc1ccccc1
BDBM50299811 Fc1ccc(COc2ccccc2C2CCNCC2)cc1
BDBM50299812 Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1
BDBM50300492 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50300493 COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50274609 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)CC1CC1
BDBM50274646 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)C1CCC1
BDBM50321777 CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
BDBM50321778 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
BDBM50321779 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
BDBM50298791 Cc1cccc(c1)C1CN(CCCc2cn(CCCN3CCN(CC3)c3nsc4ccccc34)nn2)CCc2cc(O)c(O)cc12
BDBM50298792 COc1ccccc1N1CCN(CCCn2cc(CN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
BDBM50298793 COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
BDBM50298794 COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(C3)c3ccccc3C)nn2)CC1
BDBM50298795 Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(CC3)c3ncccn3)nn2)CCc2cc(O)c(O)cc12
BDBM50298796 Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(CC3)c3ccccc3O)nn2)CCc2cc(O)c(O)cc12
BDBM50298797 CCN(CC)CCCc1cn(CCCN2CCN(CC2)c2ccccc2OC)nn1
BDBM50299813 C(Oc1ccccc1)c1ccccc1C1CCNCC1
BDBM50253244 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
BDBM50253245 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
BDBM50253246 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
BDBM50253247 CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
BDBM50252081 Cc1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:13.18,10.11,(17.07,-8.54,;17.53,-10.01,;18.99,-10.5,;18.98,-12.04,;20.1,-13.07,;19.77,-14.56,;18.3,-15.02,;17.17,-13.98,;17.51,-12.49,;16.62,-11.24,;15.08,-11.23,;14.32,-9.89,;12.78,-9.87,;12,-11.2,;12.76,-12.54,;14.3,-12.55,;10.47,-11.19,;9.69,-12.52,;8.15,-12.5,;7.39,-11.17,;8.17,-9.84,;9.71,-9.84,;5.86,-11.17,;5.1,-9.83,;3.56,-9.82,;2.78,-11.15,;3.54,-12.5,;3.06,-13.97,;4.32,-14.87,;5.56,-13.96,;5.08,-12.49,)|
BDBM50252082 Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:10.11,wD:13.18,(-8.67,-34.74,;-8.21,-36.21,;-6.75,-36.7,;-6.76,-38.24,;-5.64,-39.27,;-5.98,-40.76,;-7.44,-41.22,;-8.57,-40.18,;-8.23,-38.69,;-9.13,-37.44,;-10.66,-37.43,;-11.45,-38.75,;-12.99,-38.74,;-13.75,-37.4,;-12.97,-36.07,;-11.42,-36.09,;-15.28,-37.39,;-16.06,-38.72,;-17.6,-38.7,;-18.35,-37.37,;-17.57,-36.04,;-16.04,-36.04,;-19.89,-37.37,;-20.66,-36.03,;-22.18,-36.02,;-22.97,-37.35,;-22.21,-38.7,;-22.69,-40.17,;-21.43,-41.07,;-20.18,-40.16,;-20.66,-38.69,)|
BDBM50252083 C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(12.86,2.98,;14.41,2.97,;15.17,1.62,;14.38,.29,;12.84,.31,;12.08,1.65,;10.54,1.66,;9.76,.33,;8.22,.34,;7.46,1.68,;8.24,3.01,;9.78,3.01,;5.92,1.68,;5.15,.35,;3.6,.35,;2.84,1.7,;3.62,3.03,;3.15,4.5,;4.4,5.4,;5.65,4.49,;5.16,3.02,;16.7,1.61,;17.59,.36,;19.06,.82,;19.07,2.35,;20.21,3.36,;19.91,4.86,;18.46,5.35,;17.31,4.34,;17.61,2.84,)|
BDBM50252084 C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(32.34,.92,;33.88,.91,;34.67,2.24,;33.9,3.58,;32.36,3.6,;31.58,2.27,;30.04,2.28,;29.26,.94,;27.72,.96,;26.96,2.29,;27.74,3.63,;29.28,3.62,;25.42,2.3,;24.65,.97,;23.1,.97,;22.33,2.32,;23.11,3.65,;22.65,5.12,;23.9,6.02,;25.14,5.11,;24.66,3.64,;36.2,2.22,;37.09,.98,;38.55,1.44,;38.56,2.97,;39.71,3.97,;39.41,5.48,;37.95,5.96,;36.81,4.95,;37.11,3.46,)|
BDBM50299165 CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
BDBM50299166 CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
BDBM50274565 CCCN(CCCCn1ccc2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
BDBM50274610 NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)CC1CC1
BDBM84636 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM85332 CN[C@@H](C)Cc1ccc2OCOc2c1 |r|
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50368582 CCCN(CCC)C1CN2CCc3cccc(C1)c23
BDBM50368583 CCCN(CCC)C1Cc2cccc3ccn(C1)c23
BDBM50368584 CCCN(CCC)C1CN2CC(=O)Nc3cccc(C1)c23
BDBM50368585 CCCN(CCC)C1Cc2cccc3nc(C)n(C1)c23
BDBM50368586 C=CCNC1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50368587 CCCN(CCC)C1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50368588 CCCNC1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50368589 CN(C)C1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50368590 NC1Cc2cccc3[nH]c(=O)n(C1)c23
BDBM50368591 CCCN(CCC)C1CN2C(=O)COc3cccc(C1)c23
BDBM50368592 O=c1[nH]c2cccc3CC(Cn1c23)NCC1CC1
BDBM50368593 CCCN(CCC)C1CN2C(=O)OCc3cccc(C1)c23
BDBM50368594 CCCN(CCC)C1CN2CCCc3cccc(C1)c23
BDBM50368595 CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
BDBM50368596 CCCN(CCC)C1Cc2cccc3[nH]c(=O)c(=O)n(C1)c23
BDBM86757 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM85166 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
BDBM85672 O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
BDBM50368612 COc1cccc2C[C@@H]3CCN(CC=C)[C@H]3Cc12 |r|
BDBM50362852 Fc1ccc(cc1)S(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
BDBM50362853 Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362854 Fc1ccc(SCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362855 Fc1ccc(SCCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50362856 Fc1ccc(OCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50362857 Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
BDBM50362858 Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
BDBM50362859 C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
BDBM50362860 Fc1ccc(CCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362861 Fc1ccc(SCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362862 Fc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
BDBM50362863 Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362864 Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362865 Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362866 OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362867 OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362868 OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM50362869 Fc1ccc(SCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
BDBM50362870 Fc1ccc(OCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
BDBM86038 Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
BDBM86674 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
BDBM50368631 CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368632 CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368633 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
BDBM50368634 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368635 CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
BDBM50368636 CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368637 CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368638 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368639 CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368640 CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
BDBM50368641 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
BDBM50363806 CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
BDBM50363807 [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
BDBM50363808 CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
BDBM50363809 [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50363810 CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
BDBM50363811 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3cc(ccc3n2)[N+]([O-])=O)C(=O)C1
BDBM50363812 [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM50363813 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3c(Cl)cccc3n2)C(=O)C1
BDBM50363814 CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50363815 CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2ccccc2n1
BDBM50363893 Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
BDBM50363894 Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363895 Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363896 Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
BDBM50363897 Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
BDBM50363898 Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
BDBM50363899 Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
BDBM50363901 OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50363902 OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50363903 OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
BDBM50359416 Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
BDBM50359417 Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
BDBM50359419 O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
BDBM50359421 Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
BDBM50359427 Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
BDBM50359428 Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
BDBM50359429 Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
BDBM50359436 Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
BDBM50359437 Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
BDBM50359438 Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
BDBM50359439 Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
BDBM50359449 O=C1N(CCCCNCC2CCc3ccccc3O2)S(=O)(=O)c2ccccc12
BDBM50345694 COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
BDBM50345695 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
BDBM50345696 COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
BDBM50345697 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
BDBM50345698 COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
BDBM50345699 COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
BDBM50345700 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50345701 CN(C)S(=O)(=O)c1cccc2c(cccc12)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50345702 CN(C)S(=O)(=O)c1ccc2c(cccc2c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50345703 CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCn4c(O)c5CCCn5c4=O)CC3)c2c1
BDBM85805 COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM50343785 FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343786 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
BDBM50343787 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
BDBM50343788 FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343789 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
BDBM50343790 COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
BDBM50343791 COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343792 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50343793 FC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343794 FC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343795 COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
BDBM50343796 FC(CCNC(=O)c1cc2ccccc2s1)CN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50343797 COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
BDBM50343889 COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1 |TLB:24:23:18:27.21.20,24:23:27:19.18.20,25:23:27:19.18.20,25:19:27:26.23.22,THB:22:21:26.23.25:18|
BDBM50343890 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
BDBM50343891 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
BDBM50343892 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
BDBM50343259 Clc1cccc(N2CCN(CCCCCc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343260 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343261 Clc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4n3)CC2)c1Cl
BDBM50343262 Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
BDBM50343263 Clc1cccc(N2CCN(CCCCOc3ncc4ccc(=O)[nH]c4n3)CC2)c1Cl
BDBM50343264 Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343265 Fc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343266 Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343267 Cc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343268 Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C
BDBM50343269 Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343270 Fc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343271 FC(F)(F)c1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
BDBM50343272 FC(F)(F)c1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343273 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1
BDBM50343274 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1
BDBM50343275 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCCc34)nc2N1
BDBM50343276 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1
BDBM50343277 O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1
BDBM50343278 Fc1ccc2ccccc2c1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343279 Fc1cc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc2c1
BDBM50343280 Fc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc12
BDBM50343281 Fc1cccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343282 Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
BDBM50343283 Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1
BDBM50343284 Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
BDBM50343893 Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)|
BDBM50343894 Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
BDBM50343895 Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
BDBM50343896 Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
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
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM50342720 O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM86709 COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
BDBM86710 COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM82518 O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
BDBM82517 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM50356604 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
BDBM50356605 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
BDBM50356606 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
BDBM50356609 COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1 |TLB:28:17:26:20.21.22,15:17:26:20.21.22,THB:24:23:18:20.28.21,28:21:18.17.27:26,22:21:18:27.23.26,22:23:18:20.28.21|
BDBM50356610 Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1 |TLB:27:16:25:19.20.21,14:16:25:19.20.21,THB:23:22:17:19.27.20,27:20:17.16.26:25,21:20:17:26.22.25,21:22:17:19.27.20|
BDBM50356611 Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
BDBM50356612 Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
BDBM50356613 Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
BDBM50353855 COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
BDBM50354585 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
BDBM50354586 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
BDBM50347782 Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
BDBM50353901 Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
BDBM50353902 COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
BDBM50353903 Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
BDBM84734 Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
BDBM84735 OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
BDBM84737 O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
BDBM82363 FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11|
BDBM82364 CC(C)(C)NCC(O)COc1ccccc1C1CCCC1
BDBM82365 Clc1cnn(CCCCN2CCN(CC2)c2ncccn2)c1
BDBM82366 COc1c(O)c(O)cc2CCC(N)Cc12
BDBM82367 COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
BDBM82368 CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
BDBM82369 COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r|
BDBM85136 C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50351964 O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
BDBM50354072 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
BDBM50352724 Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50352110 COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
BDBM50352111 COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1
BDBM50352112 COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r|
BDBM50348759 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
BDBM50348760 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c-31 |r|
BDBM50348761 CCCN1CCc2cccc-3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c-31
BDBM50348762 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c-31 |r|
BDBM50348763 CCCN1CCc2cccc-3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c-31
BDBM50348765 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c-31 |r|
BDBM50348766 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c-31 |r|
BDBM50348767 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(N)c-31 |r|
BDBM50348768 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NCC)c-31 |r|
BDBM50348769 CCCNC(=O)Oc1cccc2CC3N(CCC)CCc4cccc(c34)-c12
BDBM50348770 CCCNC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
BDBM50348771 CCCCNC(=O)Oc1cccc2CC3N(CCC)CCc4cccc(c34)-c12
BDBM50348772 CCCCNC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
BDBM50348773 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(NC(=O)CCC)c-31 |r|
BDBM50348774 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(NC(=O)CCCCC2CCSS2)c-31 |r|
BDBM86691 CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
BDBM86693 CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
BDBM50353612 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
BDBM50353615 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
BDBM50353617 CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
BDBM50354520 Fc1ccc2C(CCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)Nc2c1
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM86187 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
BDBM50369048 CN(C)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM82437 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
BDBM82438 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
BDBM82439 CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
BDBM82247 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
BDBM85610 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
BDBM85612 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
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|
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM50031447 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cccnc1
BDBM50031448 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
BDBM50031449 Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
BDBM50031461 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031462 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031463 O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
BDBM50031464 Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50031465 FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50031466 COc1cccc(c1)N1CCN(CCCCNC(=O)c2c[nH]c3ccccc23)CC1
BDBM50031468 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
BDBM50031353 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2cn1
BDBM50031354 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031355 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031356 O=C(NCCCCN1CCN(CC1)c1ccccn1)c1cc2ccccc2cn1
BDBM50031357 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031358 O=C(NCCCCN1CCN(CC1)c1ncccn1)c1cc2ccccc2cn1
BDBM50031359 O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1cc2ccccc2cn1
BDBM50031360 Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031361 Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031362 Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50031363 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
BDBM50031366 Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
BDBM50031367 COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
BDBM50031368 O=C(NCCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
BDBM50031369 O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
BDBM50031370 Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@H]2CCc3ccccc3N2)CC1 |r|
BDBM50031371 O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccccc2N1 |r|
BDBM50031372 Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCc3ccccc3N2)CC1 |r|
BDBM50031373 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
BDBM50031374 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
BDBM50031375 COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
BDBM50031376 O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
BDBM50031439 O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1ccccc1
BDBM50031441 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccccn1
BDBM50031443 COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031444 Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031445 COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
BDBM50031446 COc1cccc(c1)N1CCN(CCCCNC(=O)c2cccc(C)n2)CC1
BDBM50370414 CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1|
BDBM50371974 C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
BDBM50372598 C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1
BDBM50371980 CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
BDBM50371981 C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
BDBM50371982 CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
BDBM50371983 COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
BDBM50371984 COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
BDBM50371985 CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
BDBM50371996 C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
BDBM50371998 C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
BDBM50383522 C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
BDBM50378386 CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50387555 COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1OC |r|
BDBM50387556 COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO |r|
BDBM50387558 COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O |r|
BDBM50383152 O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
BDBM50383153 CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
BDBM50383155 C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
BDBM50383156 C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
BDBM50383162 CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
BDBM50383163 C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
BDBM50387566 COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r|
BDBM50378584 COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
BDBM50382676 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(Cc2ccccc2)CC1 |c:13|
BDBM50382677 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|
BDBM50382678 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|
BDBM50382679 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1 |c:13|
BDBM50403957 CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403962 CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403974 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
BDBM50403975 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
BDBM50403976 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
BDBM50403978 CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
BDBM50384954 C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
BDBM50384955 C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
BDBM50384956 C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
BDBM50384957 Clc1ccc(cc1)N1CCN(CCCC(=O)c2nc3ccccc3s2)CC1
BDBM50384958 O=C(CCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384959 O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384960 O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
BDBM50384961 Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
BDBM50384962 O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
BDBM50384963 O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
BDBM50384964 Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
BDBM50384965 O=C(CCCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
BDBM50384966 O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384967 O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
BDBM50384968 Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
BDBM50384969 Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
BDBM50384970 OC1(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
BDBM50398711 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
BDBM50398713 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
BDBM50401403 CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50403491 C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403492 C(CNCC1COc2ccccc2C1)CNC1=NCCCN1 |t:18|
BDBM50403493 C(CNCC1CCc2ccccc2O1)CNc1nc2ccccc2[nH]1
BDBM50403494 C(CNCC1CCc2ccccc2O1)CNC1=NCCCC1 |t:18|
BDBM50403495 C(CCNC1=NCCCN1)CNCC1CCc2ccccc2O1 |t:4|
BDBM50403496 C(CNCC1Cc2ccccc2O1)CNC1=NCCCN1 |t:17|
BDBM50403497 COc1cccc2OC(CNCCCNC3=NCCCN3)CCc12 |t:15|
BDBM50403498 CC(C)NC(NCCCNCC1CCc2ccccc2O1)=NC#N |w:21.23|
BDBM50403499 C(CNCC1CCc2ccccc2O1)CNc1ncccn1
BDBM50403500 C(CNCC1CCc2ccccc2O1)CNc1cnccn1
BDBM50403501 COc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:14|
BDBM50403502 C(CNC1=NCCCN1)NCC1CCc2ccccc2O1 |t:3|
BDBM50403503 C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403504 C(CNc1ncccn1)NCC1CCc2ccccc2O1
BDBM50403505 O=C1CCCN=C(NCCCNCC2CCc3ccccc3O2)N1 |t:5|
BDBM50403506 COc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
BDBM50403507 C(CNCC1CNc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403508 C(CNCC1CCc2ccccc2O1)CNc1ccccn1
BDBM50403509 Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
BDBM50403510 C(CNCC1CCc2ccccc2O1)CNc1ccncn1
BDBM50403511 CN1C(CNCCCNC2=NCCCN2)CCc2ccccc12 |t:9|
BDBM50403512 CC1(CNCCCNC2=NCCCN2)CCc2ccccc2O1 |t:8|
BDBM50403513 C(CNCC1CCCc2ccccc2O1)CNC1=NCCCN1 |t:19|
BDBM50403514 C(CNCC1CCc2ccccc2C1)CNC1=NCCCN1 |t:18|
BDBM50403515 C(CNCC1CCc2ccccc2O1)CNc1nccs1
BDBM50403516 C(CNCC1CCc2ccccc2O1)CNC1=NCCN1 |t:18|
BDBM50403517 CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
BDBM50403518 Fc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:13|
BDBM50403519 C(CCNCC1CCc2ccccc2O1)CCNC1=NCCCN1 |t:20|
BDBM50403520 CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
BDBM50403521 C(CNCC1COc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403522 COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12 |t:16|
BDBM50400877 Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
BDBM50400878 CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400879 FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400880 Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400881 Fc1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400882 Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400883 COc1ccc(Sc2ccccc2N2CCNCC2)cc1
BDBM50400884 C1CN(CCN1)c1ccccc1Sc1ccccc1
BDBM50400885 Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
BDBM50400886 Cc1ccc(Sc2ccc(F)cc2)c(c1)N1CCNCC1
BDBM50400887 Cc1ccc(Sc2ccc(Cl)cc2)c(c1)N1CCNCC1
BDBM50400888 COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
BDBM50400889 Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
BDBM50400890 Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl
BDBM50400891 COc1cccc(Sc2ccccc2N2CCNCC2)c1OC
BDBM50400892 Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
BDBM50400893 Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl
BDBM50400894 COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC
BDBM50400895 Cc1ccccc1Sc1ccccc1N1CCNCC1
BDBM50400896 COc1ccccc1Sc1ccccc1N1CCNCC1
BDBM50400897 Cc1cccc(Sc2ccccc2N2CCNCC2)c1
BDBM50400898 COc1cccc(Sc2ccccc2N2CCNCC2)c1
BDBM50400899 Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
BDBM50400900 COc1cc(C)ccc1Sc1ccccc1N1CCNCC1
BDBM50400901 COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
BDBM50400902 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
BDBM50400903 Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
BDBM50400904 COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1
BDBM50400905 Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1
BDBM50400906 Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
BDBM50400907 CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
BDBM50400908 Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
BDBM50400909 Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
BDBM50400910 Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
BDBM50400911 Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
BDBM50403647 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
BDBM50403649 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
BDBM50403651 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
BDBM50403670 O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
BDBM50399614 CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
BDBM50399615 CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
BDBM50399616 CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
BDBM50399619 CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
BDBM50399620 CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
BDBM50399621 Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
BDBM50399622 CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
BDBM50399623 CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
BDBM50403163 N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
BDBM50403826 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
BDBM50403827 COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
BDBM50403833 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
BDBM50403897 CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
BDBM50384180 O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384181 O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384182 O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384183 O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384184 O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384185 O=C(Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1)Nc1ccccn1
BDBM50384186 O=C(Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1)Nc1cccnc1
BDBM50384187 O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
BDBM50384188 O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384189 O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384190 O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384191 O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384192 O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50401200 CCc1cccc(CC)c1Cc1ncc[nH]1
BDBM50403915 N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
BDBM50384193 O=C(Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1)Nc1ccccn1
BDBM50384194 O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384195 O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
BDBM50384196 C(Cc1ccccc1)N1CCN(CC1)c1ccccc1
BDBM50410424 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
BDBM50410425 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(CC4)C(C)C)c3cc12
BDBM50410426 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
BDBM50410427 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
BDBM50410428 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
BDBM50410429 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
BDBM50410430 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
BDBM50410431 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4C[C@H](C)N[C@H](C)C4)c3cc12
BDBM50410432 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
BDBM50410433 CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
BDBM50410434 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
BDBM50410435 CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12
BDBM50410436 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
BDBM50410437 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
BDBM50410438 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12
BDBM50410439 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cc(C)oc4C(F)(F)F)c3cc12
BDBM50410440 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
BDBM50410441 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12
BDBM50410442 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4C(F)(F)F)c3cc12
BDBM50412433 Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
BDBM50412434 Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412435 CC(COc1cccc2nc(C)ccc12)N1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412436 Cc1ccc2c(OC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412437 Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412438 Cc1ccc2c(cccc2n1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412439 Cc1ccc2c(OCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
BDBM50412440 Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412441 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412442 Cc1ccc2c(OCCCN3CC(C3)Oc3ccc4OCC(=O)Nc4c3)cccc2n1
BDBM50412443 CC(CN1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1)Oc1cccc2nc(C)ccc12
BDBM50412444 Cc1ccc2c(OC3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412445 Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412446 Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50413068 Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413069 Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1 |r|
BDBM50413070 CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
BDBM50413071 C[C@@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
BDBM50413072 C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
BDBM50413073 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
BDBM50413074 Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
BDBM50413075 Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
BDBM50413076 CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
BDBM50413077 CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
BDBM50413078 CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
BDBM50413079 Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413080 Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413081 O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
BDBM50413082 O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
BDBM50413083 O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
BDBM50413084 Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413085 Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50407750 C(\C=C\c1ccccc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407751 Cc1sc2c(nc(N3CCN(Cc4ccccc4)CC3)c3cccn23)c1C
BDBM50407752 Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
BDBM50407753 Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1Cl
BDBM50407754 CCCN1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407755 FC(F)(F)c1ccccc1CCN1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407756 C[N+]1(Cc2ccccc2)CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407757 C1CN(CC=C1)c1nc2ccsc2n2cccc12 |c:4|
BDBM50407758 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
BDBM50407759 C1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407760 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407761 CCOC(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407762 C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccc2OCOc2c1
BDBM50407763 O=C(CN1CCN(CC1)c1nc2ccsc2n2cccc12)N1CCCC1
BDBM50407764 Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407765 C1CN(CCO1)c1nc2ccsc2n2cccc12
BDBM50407766 CCOC(=O)CN1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407767 CN1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407768 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sccc2n2cccc12
BDBM50407769 C1CN(CCN1)c1nc2ccsc2n2cccc12
BDBM50407770 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
BDBM50407771 Fc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407772 Fc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1
BDBM50407773 C(C1CC1)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407774 CN1CCN(CC1)c1nc2sccc2n2cccc12
BDBM50407775 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
BDBM50407776 Clc1ccc(cc1)C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
BDBM50407777 C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccccc1
BDBM50407778 C1CN(CCC1c1ccccc1)c1nc2ccsc2n2cccc12
BDBM50407779 C(N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1)c1ccccc1
BDBM50407780 C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1
BDBM50407781 Clc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407782 C(N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1)c1ccccc1
BDBM50407783 CN1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
BDBM50407784 C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
BDBM50407785 C=CCN1CCN(CC1)c1nc2ccsc2n2cccc12
BDBM50407786 C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
BDBM50407787 C1CN(CCN1)c1nc2cc(sc2n2cccc12)-c1ccccc1
BDBM50407788 CN1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
BDBM50407789 Fc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1
BDBM50409811 COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409812 COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409813 C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50407790 C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccc2OCOc2c1
BDBM50407791 Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)c(Cl)c1
BDBM50407792 Fc1ccc(CN2CCN(Cc3nc4ccsc4n4cccc34)CC2)cc1
BDBM50407351 CCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50407352 CN(C)CCc1c[nH]c2ccc(Cc3nnn[nH]3)cc12
BDBM50407353 CN(C)CCc1c[nH]c2ccc(Cc3nnn(C)n3)cc12
BDBM50407354 CCn1nnc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
BDBM50407355 CN(C)CCc1c[nH]c2ccc(Cn3ccnc3C)cc12
BDBM50407356 CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1
BDBM50407357 CN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12
BDBM50407358 CN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12
BDBM50407359 CN(C)CCc1c[nH]c2ccc(Cn3ncnn3)cc12
BDBM50407360 CN(C)CCc1c[nH]c2ccc(Cc3nncn3C)cc12
BDBM50407361 CN(C)CCc1c[nH]c2ccc(cc12)-n1ccnc1C
BDBM50407362 CN(C)CCc1c[nH]c2ccc(Cn3ccnn3)cc12
BDBM50407364 CN(C)CCc1c[nH]c2ccc(Cc3ncnn3C)cc12
BDBM50407365 CN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12
BDBM50407793 C1CN(CCN1c1ccccc1)c1nc2ccsc2n2cccc12
BDBM50407794 Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1Cl
BDBM50412773 COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412774 C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412114 Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1