315 SMILES Strings for Histone-lysine N-methyltransferase SUV39H2

Compound Name
SMILES String
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COc1cc(CO)c(cc1Br)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(N)nc2n1
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(N)cc2n1
CNc1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Br)-c1cn2ccc(cc2n1)N1CCC(O)C1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N)nc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCN)cc2n1
CNc1ccn2cc(nc2c1)-c1cc(Br)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CCC(C1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CN)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCNCC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(NCCNC(=O)OC(C)(C)C)nc2n1
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CCC(N)C1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(O)cc2n1
COc1ccc(cc1C#N)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(=O)OC(C)(C)C
CNC1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(C1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1cncc(N)c1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCNC(=O)OC(C)(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC[C@@H](N)C1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(CN)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(CNC(=O)OC(C)(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(N)C1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(N)C1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCCN)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(CC1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(C)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(N)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NS(C)(=O)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CO)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCO)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NC(=O)OC(C)(C)C |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CCO)CC1
COc1cc(CO)c(cc1C#N)-c1cn2ccc(N)nc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@H](N)C1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N(C)CCNC(=O)OC(C)(C)C
COc1cc(CO)c(cc1C#N)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(=O)CCN
COc1cc(CO)c(cc1Cl)-c1cn2cnc(N)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCNCC1 |t:23|
COc1cc(OC(C)C)c(cc1Br)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N(C)CCN
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CC[C@@H](N)C1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CC[C@@H](C1)NC(=O)OC(C)(C)C |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CC[C@H](C1)NC(=O)OC(C)(C)C |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CC[C@H](N)C1 |r|
COc1cc(OC(C)C)c(cc1Br)-c1cn2ccc(cc2n1)N1CC[C@H](N)C1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(CCNC(=O)OC(C)(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NC(=O)NCCN
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(C1)NS(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCN3CCCCC3)cc2n1
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CCC(C1)NC(=O)CCNC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CCC(C1)NC(C)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCC(CCN)CC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(nc2n1)N1CC[C@@H](C1)NC(=O)CCN |r|
COc1cc(CO)c(cc1C#N)-c1cn2ccc(nc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCN3CCOCC3)cc2n1
COc1cc(CO)c(cc1C#N)-c1cn2ccc(cc2n1)N1CCC(C1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CCN)CC1
COc1cc(CO)c(cc1C#N)-c1cn2ccc(cc2n1)N1CCC(N)C1
COc1cc(CO)c(cc1C#N)-c1cn2ccc(nc2n1)N1CCC(C1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(CO)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(C)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCNC(C)=O)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(C)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCOCC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)ccc2n1
COc1cc(OCC2CC2)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NCCN(C)C)cc2n1
COc1cc(OCC2CC2)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1C)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1F)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(cc2n1)N1CCOCC1
COc1cc(OC2CCCC2)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCNC(=O)CO)c(CO)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)N(C)C
COc1cc(CO)c(cc1C#N)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CCN(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC#N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCCCO)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CN(C)C)CC1
COc1cc(OCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(=O)CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(C)C
COc1cc(CO)c(cc1Cl)-c1cn2cc(C3=CCNCC3)c(cc2n1)N1CCOCC1 |t:17|
COC(=O)N1CCC(=CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO |c:7|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCF)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCCO)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C)CC1
CCOC(=O)N1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCC#N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCC#N)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CC(N)=O)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CC#N)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCF)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2cc(CCCCN)c(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(ccc2n1)N1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCCCO)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCC2(CC1)OCCO2 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCOCC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1CCC(=O)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CC1)C(C)=O |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2cc(ccc2n1)N1CCC(N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NC(=O)CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NC(C)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1CCC(N)CC1 |(-8.3,-1.21,;-7.53,.12,;-5.99,.12,;-5.22,-1.21,;-3.68,-1.21,;-2.91,-2.54,;-3.68,-3.88,;-2.91,.12,;-3.68,1.46,;-5.22,1.46,;-5.99,2.79,;-1.37,.12,;-.47,-1.12,;1,-.65,;2.33,-1.42,;3.67,-.65,;3.67,.89,;2.33,1.66,;1,.89,;-.47,1.37,;5,1.66,;5,3.2,;6.33,3.97,;7.67,3.2,;9,3.97,;7.67,1.66,;6.33,.89,)|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)C1CC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(C)(=O)=O
CCCCCNC1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Br)-c1cn2ccc(cc2n1)N1CCN(CCCN(C)C)CC1
COc1cc(CO)c(cc1Br)-c1cn2ccc(cc2n1)N1CCN(CCN2CCOCC2)CC1
CCOC(=O)CCN1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCC(O)=O)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCO)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN2CCCCC2)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN2CCN(CC2)C(=O)OC(C)(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCC(N)=O)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCNC1=O
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCNCC1
CCOC(=O)CCN1CCC(=CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO |c:10|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCC(O)=O)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN2CCNCC2)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCN2CCCC2)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCN2CCOCC2)CC1 |t:23|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CCN2CCCCC2)CC1 |t:23|
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CNS(=O)(=O)C2CC2)CC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(N)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N)cc2n1
COC(=O)N1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCNCC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(C)=O
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(C)(=O)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCC(=O)NCCN(C)C)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)C(=O)CO
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2n1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)C1CC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(C)(=O)=O
CCCCCNC1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)CN)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCCN(C)C)C1=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)CCN)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(C)(=O)=O
CCCS(=O)(=O)N1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)N(C)C
CCS(=O)(=O)N1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
CCS(=O)(=O)NC1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
CCCS(=O)(=O)NC1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)Cc1ccccc1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)C(F)(F)F
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(C)(=O)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)N1CCCS1(=O)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)CO)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NS(=O)(=O)CC(C)C
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(=O)(=O)C(F)(F)F
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCNCC1
CCS(=O)(=O)N1CCN(CC1)c1ccn2cc(nc2n1)-c1cc(Cl)c(OC)cc1CO
CCCS(=O)(=O)N1CCN(CC1)c1ccn2cc(nc2n1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)NS(C)(=O)=O
CCCS(=O)(=O)NC1CCN(CC1)c1ccn2cc(nc2n1)-c1cc(Cl)c(OC)cc1CO
CCOP(=O)(CCN1CCC(=CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO)OCC |c:10|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)C1=CCN(CC1)P(=O)(CO)OC |t:23|
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)N(C)C
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(CC1)NP(=O)(CO)CO
CCS(=O)(=O)N1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(=O)(=O)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(C)(=O)=O
CCOP(=O)(CCN1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO)OCC
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)P(=O)(CO)OC
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)C1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)C(C)C
CCS(=O)(=O)N1CCCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)P(=O)(CO)OC
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(N3CCOCC3)c(F)c2n1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCNCC1
CCOP(=O)(CCN1CCCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO)OCC
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)C(=O)OC(C)(C)C
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(=O)(=O)C1CC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(C)(=O)=O
CCOP(=O)(CCN1CCCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C)OCC
CCS(=O)(=O)N1CCCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCCN(CC1)S(=O)(=O)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2cc(Br)c(cc2n1)N1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)P(=O)(CO)OC
CCOP(=O)(CCN1CCN(CC1)c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1OCCCN(C)C)OCC
COc1cc(CO)c(cc1Cl)-c1cn2cc(Br)c(nc2n1)N1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(nc2n1)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(nc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(nc2n1)N1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCNC(C)=O)c(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2cc(NCCN)c(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)C(C)C
COc1cc(OCCCN(C)C)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)S(=O)(=O)C1CCCC1
Cc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCNCC1
Cc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
Cc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCC(O)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(=O)OC(C)(C)C
OCc1cc(Cl)c(Cl)cc1-c1cn2ccc(cc2n1)N1CCCC1
COc1cc(OCCN)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCNC(CO)C1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C(CO)C1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCCC(=O)CO)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CCCC(O)=O)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)C(=O)C1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)C(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(nc2n1)N1CCN(CC1)C(=O)C1CCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@@H]3CCCN3)cc2n1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C(COCCN(C)C)C1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(O)=O
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@H](N)CCCCN)cc2n1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCC1CCCN1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NC1CCNC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)cc2n1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCC1CCCNC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@@H](N)C(C)C)cc2n1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@@H](N)CNC(=O)OC(C)(C)C)cc2n1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)N1CCNCC1
COc1cc(OCSC)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCC(O)CN
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO |r|
CC[C@@H](C)[C@H](N)C(=O)Nc1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)N1CCC(N)CC1
CCc1cc(OC)c(Cl)cc1-c1cn2ccc(cc2n1)N1CCNCC1
CCc1cc(OC)c(Cl)cc1-c1cn2ccc(cc2n1)N1CCN(CC1)S(=O)(=O)C1CC1
COc1cc(C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C(CO)C1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@@H]3CCCN3C)cc2n1 |r|
COc1cc(C)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C(COCCN(C)C)C1)S(=O)(=O)C1CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCCCN
CC[C@H](C)[C@H](NC)C(=O)Nc1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCC1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NC1CCNCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)NCCNCCNC(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(NCc2ncc[nH]2)cc1
COc1cc(CO)c(cc1Cl)-c1nc2cc(ccn2c1Br)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(NC(=O)[C@H](C(C)C)N(C)C)cc2n1 |r|
CNCC(=O)Nc1ccc(cc1)-c1ccn2cc(nc2c1)-c1cc(Cl)c(OC)cc1CO
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)-c1ccc(cc1)C(=O)[C@H](C)N |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(C(C)C1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccccn1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N[C@H]3CC[C@@H](CC3)NC(=O)CO)cc2n1 |r,wU:21.25,wD:18.18,(-10.06,-.19,;-9.29,1.14,;-7.75,1.14,;-6.98,-.19,;-5.44,-.19,;-4.67,-1.53,;-5.44,-2.86,;-4.67,1.14,;-5.44,2.48,;-6.98,2.48,;-7.75,3.81,;-3.13,1.14,;-2.22,-.1,;-.76,.37,;.57,-.4,;1.91,.37,;1.91,1.91,;3.24,2.68,;4.58,1.91,;4.58,.37,;5.91,-.4,;7.24,.37,;7.24,1.91,;5.91,2.68,;8.58,-.4,;8.58,-1.94,;7.24,-2.71,;9.91,-2.71,;9.91,-4.25,;.57,2.68,;-.76,1.91,;-2.22,2.39,)|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N[C@H]3CC[C@H](CN4CCN(Cc5ccccc5)CC4)CC3)cc2n1 |r,wU:18.18,wD:21.22,(-11.4,1.62,;-10.63,2.95,;-9.09,2.95,;-8.32,1.62,;-6.78,1.62,;-6.01,.29,;-6.78,-1.05,;-6.01,2.95,;-6.78,4.29,;-8.32,4.29,;-9.09,5.62,;-4.47,2.95,;-3.57,1.71,;-2.1,2.18,;-.77,1.41,;.57,2.18,;.57,3.72,;1.9,4.49,;3.23,3.72,;4.57,4.49,;5.9,3.72,;5.9,2.18,;7.23,1.41,;7.23,-.13,;8.57,-.9,;8.57,-2.44,;7.23,-3.21,;7.23,-4.75,;5.9,-5.52,;5.9,-7.06,;4.57,-7.83,;3.23,-7.06,;3.23,-5.52,;4.57,-4.75,;5.9,-2.44,;5.9,-.9,;4.57,1.41,;3.23,2.18,;-.77,4.49,;-2.1,3.72,;-3.57,4.2,)|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccnc(N)n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(OC3CCN(CC3)S(=O)(=O)c3cccs3)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1cccc(F)n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccccc1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ncccc1C#N
COc1cc(CO)c(cc1Cl)-c1cn2ccc(OC3CCN(CC3)c3ccnc(N)n3)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1cnccn1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1nccc(N)n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N[C@H]3CC[C@@H](CC3)Nc3ccccn3)cc2n1 |r,wU:21.25,wD:18.18,(-10.52,.19,;-9.75,1.52,;-8.21,1.52,;-7.44,.19,;-5.9,.19,;-5.13,-1.15,;-5.9,-2.48,;-5.13,1.52,;-5.9,2.86,;-7.44,2.86,;-8.21,4.19,;-3.59,1.52,;-2.69,.28,;-1.22,.75,;.11,-.02,;1.44,.75,;1.44,2.29,;2.78,3.06,;4.11,2.29,;4.11,.75,;5.44,-.02,;6.78,.75,;6.78,2.29,;5.44,3.06,;8.11,-.02,;8.11,-1.56,;6.78,-2.33,;6.78,-3.87,;8.11,-4.64,;9.45,-3.87,;9.45,-2.33,;.11,3.06,;-1.22,2.29,;-2.69,2.77,)|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(OC3CCN(CC3)S(=O)(=O)c3nccn3C)cc2n1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N[C@H]3CC[C@H](CN4CCN(CC4)S(C)(=O)=O)CC3)cc2n1 |r,wU:18.18,wD:21.22,(-11.41,.88,;-10.64,2.22,;-9.1,2.22,;-8.33,.88,;-6.79,.88,;-6.02,-.45,;-6.79,-1.78,;-6.02,2.22,;-6.79,3.55,;-8.33,3.55,;-9.1,4.89,;-4.48,2.22,;-3.58,.97,;-2.11,1.45,;-.78,.68,;.56,1.45,;.56,2.99,;1.89,3.76,;3.22,2.99,;4.56,3.76,;5.89,2.99,;5.89,1.45,;7.23,.68,;7.23,-.86,;8.56,-1.63,;8.56,-3.17,;7.23,-3.94,;5.89,-3.17,;5.89,-1.63,;7.23,-5.48,;8.77,-5.48,;7.23,-7.02,;5.69,-5.48,;4.56,.68,;3.22,1.45,;-.78,3.76,;-2.11,2.99,;-3.58,3.46,)|
COc1cc(CO)c(cc1Cl)-c1nc2cc(ccn2c1I)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(N[C@H]3CC[C@@H](CC3)NCc3ccccc3)cc2n1 |r,wU:21.25,wD:18.18,(-11.02,-.17,;-10.25,1.17,;-8.71,1.17,;-7.94,-.17,;-6.4,-.17,;-5.63,-1.5,;-6.4,-2.83,;-5.63,1.17,;-6.4,2.5,;-7.94,2.5,;-8.71,3.83,;-4.09,1.17,;-3.19,-.08,;-1.72,.4,;-.39,-.37,;.95,.4,;.95,1.94,;2.28,2.71,;3.61,1.94,;3.61,.4,;4.95,-.37,;6.28,.4,;6.28,1.94,;4.95,2.71,;7.61,-.37,;7.61,-1.91,;8.95,-2.68,;10.28,-1.91,;11.62,-2.68,;11.62,-4.22,;10.28,-4.99,;8.95,-4.22,;-.39,2.71,;-1.72,1.94,;-3.19,2.41,)|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(Cc2ccncc2)CC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccc(cn1)C#N
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccnc(n1)N1CCOCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccnc(n1)N1CCCCC1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1cccnc1
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CCN(CC1)c1ccnc(n1)N(C)C
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccncc1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccccn1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1cccnc1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccccc1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccc(F)cc1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccc(cc1)C(F)(F)F |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccc(cc1)[N+]([O-])=O |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccc(C)cc1 |r|
COc1cc(CO)c(cc1Cl)-c1cn2ccc(cc2n1)N1CC[C@@H](C1)NCc1ccc(CO)cc1 |r|
COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3
CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|
CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C