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292 SMILES Strings for Mitogen-activated protein kinase 2

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM8416 Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM33176 CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
BDBM34178 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
BDBM32299 CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
BDBM32065 CN(c1ccccc1)c1ccc(C=c2s\c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
BDBM32035 O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM34936 Nc1cc2nc[nH]c2cc1N
BDBM34829 COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1 |w:6.6|
BDBM37692 Nc1ccc(Nc2ccccc2N)cc1
BDBM38802 CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
BDBM38325 COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccccn1
BDBM40571 Cc1nn2c(N)csc2nc1=O
BDBM39775 CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
BDBM39739 Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
BDBM43211 COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
BDBM43248 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C/C=C1\SC(=S)N(C)C1=O |c:5|
BDBM42257 Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
BDBM44965 CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
BDBM46293 CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
BDBM45687 CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
BDBM44448 Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
BDBM48177 CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
BDBM48807 CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
BDBM47934 Cc1cc2ccccc2n1CCNC(=O)c1cccs1
BDBM48732 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
BDBM48866 Nc1ccc(N)c(c1)C(O)=O
BDBM48758 CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
BDBM47717 CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM47630 CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S |w:13.13,10.9|
BDBM47635 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
BDBM46584 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
BDBM46560 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
BDBM50999 CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
BDBM50505 Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1
BDBM51794 Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
BDBM51823 CNC(=O)C(=O)Nc1c(C)cc(C)cc1C
BDBM51824 COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1
BDBM51825 Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1
BDBM51826 COc1ccc(-c2n[nH]cc2CN2CCCCCCC2)c(OC)c1
BDBM51827 Cc1nccn1CCCNCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1
BDBM51828 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CCN(C)CC3)cc12
BDBM51829 FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
BDBM51830 CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1
BDBM51831 CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
BDBM51832 N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1 |c:18,t:8,(9.64,8,;8.87,6.67,;8.11,5.33,;6.57,5.32,;5.03,5.32,;8.88,4,;10.49,4,;11.28,2.6,;10.46,1.23,;10.93,-.24,;9.69,-1.14,;11.35,-1.27,;12.33,-2.87,;11.63,-4.33,;10.22,-4.27,;9.54,-2.74,;8.08,-3.41,;6.78,-2.46,;6.96,-.87,;8.44,-.24,;8.92,1.23,;8.09,2.6,;5.73,.05,;5.91,1.58,;4.67,2.5,;3.26,1.89,;3.08,.36,;4.32,-.56,;7.93,-4.94,;6.52,-5.57,;6.37,-7.1,;7.62,-8,;9.02,-7.37,;9.18,-5.84,)|
BDBM51833 COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM51834 COc1ccc(NC(=O)N(CC2CCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
BDBM51835 CCN1\C(Sc2ccc(OC)cc12)=C\C(\CC)=C\c1sc2ccc(OC)cc2[n+]1CCCS([O-])(=O)=O
BDBM51861 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51862 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
BDBM51863 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51864 Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
BDBM51865 [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
BDBM51866 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51867 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
BDBM51868 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51869 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51795 COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
BDBM51796 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
BDBM51797 CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1cccc(C)c1
BDBM51798 COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
BDBM51799 Brc1ccc(cc1)N=CCC=CC=Nc1ccc(Br)cc1 |w:7.7,13.14,10.10|
BDBM51870 Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
BDBM51871 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51872 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51873 Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
BDBM51874 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51875 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
BDBM51876 Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1
BDBM51877 CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
BDBM51935 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1
BDBM51936 CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
BDBM51937 NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,10.11|
BDBM51938 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(F)cc2s1
BDBM51939 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM51793 CC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C |t:11|
BDBM51878 CN1C(=C=Cc2cc(I)c(O)c(I)c2)C(C)(C)c2ccccc12 |(7.68,-1.39,;7.2,.08,;8.1,1.32,;9.64,1.32,;11.18,1.32,;11.95,-.02,;11.18,-1.35,;11.95,-2.69,;11.18,-4.02,;13.49,-2.69,;14.26,-4.02,;14.26,-1.35,;15.8,-1.35,;13.49,-.02,;7.2,2.55,;8.45,3.46,;6.73,4.02,;5.75,2.09,;4.41,2.86,;3.08,2.09,;3.08,.55,;4.41,-.22,;5.75,.55,)|
BDBM51879 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
BDBM51880 Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
BDBM51881 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|
BDBM51882 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
BDBM51883 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
BDBM51884 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cccc(OC)c1 |w:16.16|
BDBM51885 [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
BDBM51886 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
BDBM51887 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51888 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51837 CN(C)c1ccc(NC(=O)CN2CCC(O)(CC2)c2ccccc2)cc1
BDBM51889 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
BDBM51800 CNc1nc(cs1)-c1c[nH]c2ccccc12
BDBM51801 OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
BDBM51802 O=C1N(CCCn2ccnc2)C(=S)N\C1=C/c1ccc(cc1)C#N
BDBM51803 CC[n+]1c(\C=C\C=C\N(C(C)=O)c2ccccc2)sc2ccccc12
BDBM51804 CCOc1ccc(cc1)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:10|
BDBM51805 COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
BDBM51806 COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
BDBM51807 COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
BDBM51808 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2Cl)cc1 |w:4.3|
BDBM51836 CN1C(=S)S\C(=C\c2ccc(o2)-c2ccccc2)C1=O
BDBM51838 CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
BDBM51839 CCCSc1ncnc2sc(C)c(C)c12
BDBM51840 CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
BDBM51841 CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|
BDBM51809 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1
BDBM51842 NC(=O)CSc1nnc(Cc2ccc3OCOc3c2)o1
BDBM51843 CCN1\C(Sc2cc(C)ccc12)=C\c1ccc2cc(C)cc(C)c2[n+]1CC
BDBM51844 CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccc2F)c(=O)c1=O
BDBM51845 Cc1ccc(CN2CCSc3ccc(cc23)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
BDBM51846 Clc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)nc1
BDBM51810 COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+]([O-])=O
BDBM51811 Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
BDBM51812 CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc23)cc1
BDBM51847 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN2CCN(C)CC2)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM51848 Cc1cc2ccccc2n1CCNC(=O)c1ccc(Br)o1
BDBM51890 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
BDBM51891 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C
BDBM51892 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1
BDBM51813 COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O
BDBM51814 CCCCOP(=O)(OCCCC)C(Nc1nnn(CCCC)n1)c1ccc(F)cc1
BDBM51815 Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12
BDBM51816 Cc1ccnc(NC(=O)C2(CCOCC2)c2cccs2)c1
BDBM51893 CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
BDBM51894 CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
BDBM51817 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2ccccn2)s1
BDBM51818 CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(Cl)cc2s1
BDBM51819 Cc1sc(NC(=O)c2ccccc2)c(C(N2CCN(CCO)CC2)c2ccccn2)c1C
BDBM51820 Oc1cc2ccccc2cc1C(=O)NNc1c2ccccc2nc2ccccc12
BDBM51849 COc1ccc(cc1)-n1nc2c(N)n[nH]c2cc1=O
BDBM51850 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
BDBM51851 COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
BDBM51852 CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|
BDBM51853 COc1ccc(cc1CN1CCc2cc(OC)c(OC)cc2C1C)C1NCCc2c1[nH]c1ccccc21
BDBM51854 NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
BDBM51855 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
BDBM51856 CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
BDBM51857 CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
BDBM51858 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51859 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51895 CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12
BDBM51896 CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(cc3)N(C)C)c(OC)cc(OC)c12
BDBM51822 COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(C)c1
BDBM51897 CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12
BDBM51898 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)CC)n1cc(nn1)C(N)COC(=O)C(F)(F)F
BDBM51899 CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
BDBM51860 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51900 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
BDBM51901 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
BDBM51792 O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
BDBM51821 C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
BDBM51902 COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
BDBM51903 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
BDBM51904 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
BDBM51905 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
BDBM51906 COc1ccc(cc1)-c1csc(n1)N(CCCN(C)C)C(=O)c1ccccc1Cl
BDBM51907 COc1ccc2nc(C)cc(N=NCc3cccc(OC)c3O)c2c1 |w:11.10|
BDBM51908 COc1ccc(CN=Nc2cc(C)nc3ccc(Br)cc23)cc1 |w:8.8|
BDBM51909 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
BDBM51911 COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
BDBM51912 CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
BDBM51913 CCCN(CCC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
BDBM51914 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
BDBM51915 CCCCN(CC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
BDBM51916 [#6]-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#6])cc3\[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1
BDBM51917 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
BDBM51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
BDBM51919 Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
BDBM51920 CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
BDBM51921 CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c1sc2ccccc2[n+]1CC
BDBM51922 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(C)ccc1C
BDBM51923 Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
BDBM51924 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(F)c1 |c:4,29|
BDBM51925 CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)cc1
BDBM51926 CCc1ccc(Nc2n[n+](c(s2)-c2cc(OC)c(OC)cc2Br)-c2ccccc2)cc1
BDBM51927 CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OC)c(Br)c2)-c2ccccc2)cc1
BDBM51928 CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
BDBM51929 CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
BDBM51930 [H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
BDBM51931 Fc1cccc(F)c1OCc1cc(no1)C(=O)N1C[C@H]2CC[C@H]1C2 |TLB:15:17:23:20.21|
BDBM51932 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
BDBM51933 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
BDBM51934 Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
BDBM54953 COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccco1)[N+]([O-])=O
BDBM54956 C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
BDBM54957 COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccccn1)[N+]([O-])=O
BDBM54958 COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
BDBM54959 CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM54961 CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1cccs1
BDBM54950 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1
BDBM54951 c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM54952 C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccco1
BDBM54954 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
BDBM54955 c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccccn1
BDBM54960 C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50056938 Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50174412 COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
BDBM50311953 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50311954 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50300196 Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50316252 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50316253 CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50315069 CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
BDBM50314344 Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
BDBM50318909 CC(C)\N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50378568 CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
BDBM50389154 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
BDBM50396243 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
BDBM50396263 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50430289 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
BDBM50430297 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
BDBM50436478 C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F