594 SMILES Strings for Cyclin-dependent kinase 5

Compound Name
SMILES String
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Oc1cc(O)c2c(c1)oc1cccc(O)c1c2=O
COC(=O)c1c(O)ccc2c1oc1cccc(O)c1c2=O
Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
COc1cc(OC)c2c(c1)oc1c(O)ccc(O)c1c2=O
c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N
Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)C(F)(F)F
Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1
Clc1ccc(Nc2ncc(s2)C(=O)c2ccc(Cl)cc2Cl)cc1
Clc1cc2CN(COc2c2ncccc12)C1CCN(Cc2ccccc2)CC1
CC(=O)Nc1ccc(CN2CCC(CC2)N2Cc3cc(Cl)c4cccnc4c3O2)cc1
Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21 |t:4|
C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21 |t:4|
COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C |t:8|
COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C |c:14|
COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C |c:15|
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|
COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13|
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
[#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)cn2)ncc1F
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|
CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F
CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
COc1ccc(cc1)-c1ccnc(Nc2cccc(N)c2)n1
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
CCN(Cc1cn2ccccc2n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
C(CN1CCOCC1)Nc1nc2ccccc2c2[nH]c3ccccc3c12
C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
COc1cc(\C=C2/S\C(NC2=O)=N\c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1
CC(C)c1cnc(NC(=O)Oc2ccccc2)s1
O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ncccc12
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
CC(C)C(=O)Nc1ncc(s1)C(C)C
O=C(Nc1ncc(s1)C1CCC1)Nc1ccccc1
O=C(Cc1c[nH]c2ccccc12)Nc1ncc(s1)C1CCC1
CCCCCc1cnc(NC(=O)Cc2ccccc2)s1
CSc1cnc(NC(=O)Cc2ccccc2)s1
O=C(Cc1ccccc1)Nc1ncc(s1)-c1ccccc1
O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2cnccc12
O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ccncc12
O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2c[nH]nc12
O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
O=C(Cn1ccc2ccccc12)Nc1ncc(s1)C1CCC1
O=C(Cc1ccccc1)Nc1ncc(s1)C1CCCCC1
Brc1cnc(NC(=O)Cc2ccccc2)s1
CCc1cnc(NC(=O)Cc2ccccc2)s1
O=C(Cc1ccccc1)Nc1ncc(s1)C1=CCCC1 |t:17|
O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1
CC(C)c1cnc(NC(=O)C(=O)c2ccccc2)s1
Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
CC(C)c1cnc(NC(=O)Nc2ccccc2)s1
CC(=O)c1cnc(NC(=O)Cc2ccccc2)s1
CC(C)c1cnc(NC(=O)c2ccccc2)s1
Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C
O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1
O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2nn[nH]c12
CN(C)c1cnc(NC(=O)Cc2ccccc2)s1
O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2cnccc2c1
O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
O=C(Cc1ccccc1)Nc1ncc(s1)C1CCCC1
O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2ncccc2c1
Oc1ccc2c3c4ccccc4[nH]c3c(=O)oc2c1
Oc1ccc2[nH]c3c(c2c1)c1ccc(O)cc1oc3=O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1
COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1
COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cn5ccccc5n4)c(c1)c23)C(=O)N1CCCCC1 |t:11|
C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1
CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N
CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1[nH]cnc1-c1nccc2c3ccccc3[nH]c12
O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
O=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
FC(F)(F)c1cc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)ccc1Cl
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1
S=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
COc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
Clc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3cccc(Cl)c3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c3ccccc23)cc1
O=C(N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)c3ccccc3)c3ccccc23)cc1
O=C(Cc1ccc(OCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)Nc1cc([nH]n1)C1CCC1
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1
COC[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C\c2ccc3ncsc3c2)C(=O)N1 |r,t:9|
CC(C)C[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
CC(C)C[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C |r,t:9|
CCN1C(N[C@@H](COC)CC(C)C)=N\C(=C/c2ccc3ncsc3c2)C1=O |r,c:12|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1C1CCCCC1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cnc3ncsc3c2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2cc3scnc3cn2)C(=O)N1 |r,t:9|
COC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3n2)C(=O)N1 |r,t:9|
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)N1CCN(C(=O)c2ccnc(Nc3cc(-c4ccc5nnn(C(C)C)c5c4)ccn3)c2)CC1
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCC5)ccn4)c3)cc21
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCN(C)CC5)ccn4)c3)cc21
COc1ccccc1-c1cccc(Nc2cccc(N3CCCNCC3)c2)n1
CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(I)cn5)CC4)c3)nc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
COc1cc2oc(cc(=O)c2c(OC)c1O)-c1ccccc1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
COc1cc(ccc1O)-c1oc2c(OC)c(OC)c(OC)c(O)c2c(=O)c1OC
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Clc1ccc(cc1)-c1c[nH]c2[nH]c(=O)c3cccn3c12
COc1ccc(cc1OC)-c1c[nH]c2[nH]c(=O)c3cccn3c12
Brc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12
Fc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12
Cc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12
COc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12
Clc1ccc(cc1Cl)-c1coc2[nH]c(=O)c3cccn3c12
COc1ccc(cc1OC)-c1coc2[nH]c(=O)c3cccn3c12
Clc1ccc(cc1)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1OC)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1O)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1OC)-c1coc2C(=O)c3cccn3-c12
COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(N=O)c3cccn3-c12
COc1ccc(cc1O)-c1c[nH]c2C(N=O)c3cccn3-c12
CC1(C)CNC(=O)c2cc3-c4ccc(F)cc4CCn3c2C1
CC1(C)CNC(=O)c2cc3-c4ccc(cc4CCn3c2C1)[N+]([O-])=O
CC1(C)CNC(=O)c2cc3-c4ccc(Br)cc4CCn3c2C1
COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
CCCCc1c(-c2ccc(O)cc2)n(C)c2nccnc12
CCCCc1c([nH]c2nccnc12)-c1ccc(OCCOCCOCCN)cc1
CCCCc1c(-c2ccc(OCCOCCOCCN)cc2)n(C)c2nccnc12
CCCCc1c([nH]c2nccnc12)-c1ccc(O)c(c1)-c1cn(CCOCCOCCN)nn1
CCCCc1c(-c2ccc(O)c(c2)-c2cn(CCOCCOCCN)nn2)n(C)c2nccnc12
Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12
Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12
Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12
CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12
COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc12
NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(O)=O)c2ccccc12
Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12
Nc1n[nH]c2nc(N)c(cc12)C#N
COc1nc(NNC(C)=O)c(C#N)c(-c2ccccc2)c1C#N
COc1nc(NN)c(C#N)c(-c2ccccc2)c1C#N
Nc1n[nH]c2nc(N3CCOCC3)c(C#N)c(-c3ccccc3)c12
Nc1n[nH]c2nc(Cl)c(C#N)c(-c3ccccc3)c12
CC(=O)Nc1n(nc2nc(NC(C)=O)c(cc12)C#N)-c1ccccc1
CC(=O)Nc1nn(C)c2nc(N)c(C#N)c(-c3ccccc3)c12
CC(=O)Nc1nn(C)c2nc(N)c(cc12)C#N
CC(=O)n1nc(N)c2c(-c3ccccc3)c(C#N)c(N)nc12
CC(=O)Nc1n[nH]c2nc(NC(C)=O)c(cc12)C#N
Nc1n(nc2nc(N)c(cc12)C#N)-c1ccccc1
Cn1nc(N)c2c(-c3ccccc3)c(C#N)c(N)nc12
Cn1nc(N)c2cc(C#N)c(N)nc12
Nc1n[nH]c2nc(N)c(C#N)c(-c3ccccc3)c12
Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
O=C1Nc2ccccc2CN1c1csc(n1)-c1ccncc1
O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccncc1
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Nc1n[nH]c2cc(N)c(C#N)c(-c3ccccc3)c12
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
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|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
Nc1nc(Cl)c2ncn(C3CCCC3)c2n1
CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1
CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
CC(C)n1cnc2c(Cl)nc(I)nc12
CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
CN(CC=C)c1nc(I)nc2n(C)cnc12
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C
CCNC(=O)O[C@@H](C)[C@H]1c2ccccc2-c2c1c1[nH]c3ccccc3c1c1CNC(=O)c21
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O
O=C1NCCc2[nH]c(cc12)-c1ccncc1
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
O=C(Nc1cc(c[nH]1)C1CCC1)Nc1cccc2ccncc12
COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12
O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
CC12CC(C)(C)NC(=S)N1c1ccc(cc1N2)-c1ccc2N3C(=S)NC(C)(C)CC3(C)Nc2c1
CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c3cccc4Br)c(N=O)c2c1
OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)-c1nnn[nH]1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)C#N
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O
OCc1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)N(C)c2c1cccc2Br
FC(F)(F)c1cccc2C(C(=O)Nc12)=C1Nc2ccc(cc2C1=O)-c1nnn[nH]1 |w:14.16|
FC(F)(F)c1cccc2\C(C(=O)Nc12)=C1\Nc2ccc(cc2C1=O)C#N
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
OC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F
COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F
OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
Brc1cccc2C(C(=O)Nc12)c1[nH]c2ccc(CN=O)cc2c1N=O
OC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
OCc1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
CN1C(=O)C(c2cccc(Br)c12)c1[nH]c2ccc(cc2c1N=O)C(O)=O
Brc1cccc2C(C(=O)Nc12)=C1Nc2ccc(CN=O)cc2C1=O |w:11.13|
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1
CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
C(Sc1nnc(o1)-c1ccncc1)c1ccc(cc1)-c1ccccc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccncc3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)-c1ccccc1
Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
OC(=O)c1nc2ccccc2c2[nH]c3ccccc3c12
CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F
OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)[N+]([O-])=O
Cc1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
OC(=O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12
OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
OC(=O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12
CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br
COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12
OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCc3ccc(cc3)-c3ccccn3)nc12
COc1ccc(CNc2nc(NCc3ccc(cc3)-c3ccccn3)c3[nH]nc(C(C)C)c3n2)cc1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)|
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(N)CO)nc12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12
CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCO)nc12
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O
CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1