396 SMILES Strings for dTDP-4-dehydrorhamnose 3,5-epimerase

Compound Name
SMILES String
CCOc1cc(ccc1O)-c1nc2c(C)cccn2c1NCC1CCCO1
CN(C(=O)C1CCOC1)c1nnc(s1)-c1ccncc1
Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc23)c1C#N
COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
CC(C)OC(=O)CC(=O)CSc1nc2CCCCc2cc1C#N
CN(C(=O)c1ccncc1)c1nnc(s1)-c1ccncc1
CN(C(=O)c1cccnc1)c1nnc(s1)-c1ccccn1
COCC(=O)N(C)c1nnc(s1)-c1ccccn1
CN(C(=O)C1CCCO1)c1nnc(s1)-c1ccncc1
COc1cccc(c1)-n1nnnc1SCC(=O)c1cc(OC)ccc1OC
CN(C(=O)c1ccncc1)c1nnc(s1)-c1ccccn1
CC(C)(C)NC(=O)CN(C1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN12 |c:24,26,t:22|
CN(C(=O)c1cccc(c1)C#N)c1nnc(s1)-c1ccccn1
COc1ccccc1-c1nnc(s1)N(C)C(=O)C1CCCO1
COc1ccc(cc1)-c1cc(n2ncc(C(=O)NCC3CCCO3)c2n1)C(F)(F)F
CN(C(=O)C1CCCO1)c1nnc(s1)-c1ccccn1
CCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)cc1NC(=O)c1ccco1
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CC=C)c1=N
CN(C(=O)c1ccno1)c1nnc(s1)-c1ccccn1
CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
COc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1
CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C(C)C)c1=N
Cc1cc(NCCCN2CCOCC2)n2c3ccccc3nc2c1C#N
CN(C(=O)COc1ccccc1)c1nnc(s1)-c1ccncc1
CN(C(=O)c1ccccn1)c1nnc(s1)-c1ccccn1
Oc1ccccc1C=Nc1c(nc2ccccn12)-c1ccco1 |w:8.9|
Nc1ccc(cc1)-c1nc2c(Cl)cc(N)cc2[nH]1
CC(C)OC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
Cc1cc(ccc1N)-c1nc2ncccc2o1
Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
O=c1n([se]c2ccccc12)-c1ccccc1
COC(=O)c1ccc(o1)-c1sc2nc(N3CCOCC3)c3CCCCc3c2c1N
CCOC(=O)CC(=O)CSc1nc2CCCCCCc2cc1C#N
CC(=O)c1ccc(o1)-c1nc2ccccc2n1C
CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
Cc1cc(C(=O)OCCO)c(C#N)c(N)n1
CC1(C)Cc2nc(NCCCO)c(cc2CO1)C#N
Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1cccs1
COC(=O)c1c2CCCc2nc(N)c1C#N
CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C |c:13,t:10|
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N
COc1cc(=O)n(C)c2cc(ccc12)N(C)C
O=C(Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1)c1ccco1
COCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
CN(C)CCNC(=O)c1coc(=O)c(Br)c1
COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12
Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc12
CC(C)c1cc(NCCCN2CCOCC2)n2c3ccccc3nc2c1C#N
CC1CN(CC(C)O1)c1oc(nc1C#N)-c1cccs1
COCCCn1c2ncn(Cc3ccccc3Cl)c(=O)c2c2nc3ccccc3nc12
Oc1ccc(O)n1-c1nc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1
CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12
Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C
COc1ccc(cc1)-c1oc2ncn3nc(COc4ccccc4)nc3c2c1-c1ccc(OC)cc1
O=C(NCCN1CCOCC1)c1ccc(=O)oc1
Cc1c(C)c(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
Cc1c(O)c(CN2CCCCC2)cc2c3CCCc3c(=O)oc12
O=C(NCCN1CCCCC1)c1ccc(=O)oc1
CC(=O)COc1ccc2c3CCCCCc3c(=O)oc2c1
CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
CSc1ccc(cc1)-c1c2CCCCc2nc(N)c1C#N
CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
O=S(=O)(N1CCOCC1)c1cccc(c1)-c1cn2cccnc2n1
Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br
Nc1c(c2nc3ccccc3nc2n1CC1CCCO1)S(=O)(=O)c1cccs1
CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccncc2)c1=N
COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1
CC(C)OCCCn1c2nc3ccc(C)cn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1
CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
CCCCOCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O |(7.08,7.47,;7.08,5.93,;5.75,5.16,;4.41,5.93,;3.08,5.16,;3.08,3.62,;4.41,2.85,;5.75,3.62,;7.08,2.85,;7.08,1.31,;5.75,.54,;8.41,.54,;9.75,1.31,;11.13,.49,;11.11,-1.05,;12.43,-1.84,;12.41,-3.38,;13.74,-4.16,;15.08,-3.41,;16.41,-4.19,;16.39,-5.73,;17.71,-6.52,;15.1,-1.87,;13.77,-1.08,;12.52,1.28,;13.85,.51,;12.52,2.88,;11.13,3.68,;9.75,2.85,;8.41,3.62,;8.41,5.16,)|
CCOC(=O)Nc1nnc(s1)-c1ccc(OC)c(OC)c1
Cc1c(O)c(CN2CCCC2)cc2c3CCCCc3c(=O)oc12
Cc1ccc2n(C)c3c(ncnc3c2c1)N1CCOCC1
Nc1nc(cc(-c2ccco2)c1C#N)-c1ccccn1
Cc1ccc2nc3n(-c4nccs4)c(=O)c(cc3c(=O)n2c1)C#N
COc1cc2CCn3c(cc(OCCN4CCOCC4)nc3=O)-c2cc1OC
COc1cc2CCn3c(cc(OCc4cccnc4)nc3=O)-c2cc1OC
CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O
CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
Cc1ccc2nc3n(CC4CCCO4)c(=O)c(cc3c(=O)n2c1)C#N
COC(=O)Cc1c(C)c2c(OCc3nnn[nH]3)cc(C)cc2oc1=O
Oc1ccc2c3CCCc3c(=O)oc2c1CN1CCOCC1
CN(C)CCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O |(7.08,5.83,;7.08,4.29,;5.75,3.52,;4.41,4.29,;3.08,3.52,;3.08,1.98,;4.41,1.21,;5.75,1.98,;7.08,1.21,;7.08,-.33,;5.75,-1.1,;8.41,-1.1,;9.75,-.33,;11.13,-1.15,;11.11,-2.69,;12.43,-3.48,;12.41,-5.02,;13.74,-5.8,;15.08,-5.05,;16.41,-5.83,;15.1,-3.51,;13.77,-2.72,;12.52,-.36,;13.85,-1.13,;12.52,1.24,;11.13,2.04,;9.75,1.21,;8.41,1.98,;8.41,3.52,)|
CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Cc1cc(no1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
Cc1ccc(CN2CC(CC2=O)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)n1
COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O
CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1
CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21
CC(=O)Oc1cc2oc(=O)c3CCCc3c2cc1Cl
FC(F)(F)c1cc(=O)[nH]c2nc(sc12)N1CCCCC1
COCCn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(o1)-c1ccccc1Cl
Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)OC1CCOC1=O
O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC
O=C(NCC1CCCO1)c1cc(nc2ccccc12)-c1ccco1
c1c(nc2ncccn12)-c1ccccc1
COc1ccc2N(C(C)=O)S(=O)(=O)c3ccccc3-c2c1
COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1
CC1CN(CC(C)O1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
CSc1ccc(C=Nn2nnnc2N)cc1 |w:7.7|
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1
Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
Brc1ccc(cc1)-c1cn2cccnc2n1
COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12
CCOCC(=O)Nc1cc(ccc1C)-c1cn2cccnc2n1
O=C(NCc1ccco1)c1ccc2nc3sc4CCCCc4c3c(=O)n2c1
CC(=O)c1cc2cc(O)ccc2o1
O=C(Nc1cccnc1)c1coc(=O)c2ccccc12
OC(=O)c1ccccc1NCN1C(=O)C2CC=C(Cl)CC2C1=O |t:17|
COCCN(CCOC)C(=O)c1cc2c(nc3ccccn3c2=O)s1
CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN1CCN(CC1)c1ccccc1F
C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1
CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1
COC(=O)c1cc(=O)nc2sc(nn12)-c1cccs1
Cn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccccn1
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1CCCO1
CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(F)cc1
CCOCC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
Fc1ccc2nc(Nc3nc4CCCCc4s3)sc2c1
Cn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCCn1ccnc1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCC1
NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1
Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1cn2cccnc2n1
COC(=O)c1sc2cnccc2c1N
Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)-c1nc2ccccc2o1
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCN1CCOCC1
COCC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
COC(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cc3OCCOc3cc2n1
CC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
Cn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCc2ccccc2C1
COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
COC(=O)C1C=NC=C(C1c1cccc(OC)c1)C(=O)OC |c:5,7|
Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
CCc1nnc(NC(=O)CSc2nc3CCCc3cc2C#N)s1
O=C(Nc1sc2CCCCCCc2c1C(=O)NC1CC1)c1ccco1
COC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N
OC(=O)c1cc(nc2ccccc12)-c1ccco1
Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1
CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
COc1ccc2c3CCCCc3c(=O)oc2c1OCC(N)=O
NC(=O)c1nn(nc1N)-c1ccccc1
CN(C)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12
CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
Oc1ccc2c3CCCCc3c(=O)oc2c1
CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12
CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O
N#Cc1nc(oc1NCCCN1CCOCC1)-c1cccs1
CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
N#Cc1nc(oc1NCC1CCCO1)-c1cccs1
O=C(CN1CCCC1)Nc1ccc(cc1)-c1nc2cc(NC(=O)CN3CCCC3)ccc2o1
CN(C)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
Cc1oc2ccccc2c1-c1cn2CCSc2n1
CC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2cccnc2)c1=N
CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O
CCOC(=O)c1sc2nc(N3CCCC3)c3COC(C)(C)Cc3c2c1N
FC(F)(F)c1cc([nH]c(=O)c1C#N)C1CC1
O=C(N1CCN(CC1)C(=O)c1cc2COc3ccccc3-c2s1)c1ccco1
CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
CCC(=O)Nc1c(OC(=O)CC)ccc2c(C)cc(=O)oc12
CN1CCN(CCCNC(=O)c2ccc3SCCN(Cc4ccccc4)c3c2)CC1
CN(C)CCNc1oc(nc1C#N)-c1ccccc1F
COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O
Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2C(C1)c1ccccc1 |t:1|
CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CC(C)(C)C2 |c:3,t:1|
Cc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;13.85,2.71,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc12
COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,t:4|
Clc1cc2c3CCCCc3c(=O)oc2cc1OC(=O)c1ccco1
CC(Oc1ccc2oc(c(C(O)=O)c2c1)-c1ccccc1)C(O)=O
CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c12
CCc1cc2c(oc(C)c(Oc3ccccc3F)c2=O)c(CN(C)C)c1O
CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
Cn1c(C=Nn2cnnc2)nc2ccccc12 |w:4.4|
Cc1c(CCC(O)=O)c(=O)oc2cc(O)ccc12
CN1CCCc2cc(C#N)c(=O)[nH]c12
Clc1cccc(NC(=O)Nc2ccccc2C#N)c1
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
CC(C)n1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc12
O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccco1
CCn1c(C=Nn2cnnc2)nc2ccccc12 |w:5.5|
CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
OC(=O)c1cc2c(ccc3ccccc23)oc1=O
CCOc1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1
OCCN(CCO)S(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 |c:20|
CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccco1)c2C(N)=O
CCOC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
CC(C)OC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N
Nc1ccc2nc([nH]c2c1)-c1ccc(N)c(Cl)c1
CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(C)cc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1cn2ccccc2n1
COc1cc2cc(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)c(=O)[nH]c2cc1OC
CCCc1cc(=O)n2c([nH]c3ccccc23)c1C#N
Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCCCC1
COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1
CCOC(=O)c1cc2COC(C)(C)Cc2nc1N
CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CCC2 |c:3,t:1|
CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NC2CCCC2)c1=N
COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NC2CCCCC2)c1=N
CN(C(=O)c1ccc(cc1)C#N)c1nnc(s1)-c1ccccn1
C=CCN(C(=O)COc1ccccc1)c1nnc(s1)-c1ccncc1
CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F
CCOC(=O)c1cc2cc3ccccc3cc2[nH]1
CCOC(=O)c1nn(-c2ccc(F)cc2)c2nc(CC(C)C)c(C#N)c(=O)n12
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12
Fc1ccc(cc1)C(=O)n1ccc(n1)-c1cnc(s1)-c1ccccc1
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
CNC(=O)c1ccc(s1)-c1ccc(OC)cc1
CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
COC(=O)C(C=Nc1cccc2ccccc12)[N+]([O-])=O |w:6.6|
CN(C)CCNC(=O)c1cc2COc3ccccc3-c2s1
CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccccc2)OC(=N)C(C#N)C1c1cccnc1 |c:5|
C=CCNc1oc(nc1C#N)-c1cccs1
Clc1ccc(NC(=O)Nc2ccccc2C#N)cc1
COc1ccc2oc(=O)c(cc2c1)C(=O)n1ccc(C)n1
Clc1ccc(cc1)-c1cn2cccnc2n1
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
CCOc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C |c:13,t:10|
CC(C)CN(CC(C)C)Cc1c(O)ccc2c(C)cc(=O)oc12
CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C)CC4)n3)c(=O)oc12
CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 |c:20|
Cc1cccc(c1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
c1c(cn2ccccc12)-c1ccc2ccccc2c1
COc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
COc1ccc2cc3cc(oc3nc2c1)C(=O)NC(C)C
CCOC(=O)CN1C=C(C(C[N+]([O-])=O)c2ccccc12)c1ccc2ccccc2n1 |c:7|
CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
CC(=O)Nc1ccc(NC(=O)c2sc3nc4CCCc4c(-c4ccc(C)cc4)c3c2N)cc1
COc1ccc(cc1)-c1cc(n2nc(N)nc2n1)C(F)(F)F
Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N
COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccccc3)cc2oc1=O
CCOc1ccc(Nc2oc(nc2C#N)-c2cccc(Cl)c2)cc1
COc1ccccc1-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
CCCn1c(nc2nc3ccccc3nc12)-c1cccs1
COc1ccc(cc1OC)-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
CN(C)Cc1c(O)c(Cl)cc2c3CCCCc3c(=O)oc12
CCCCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:28:27:18.19:12.11|
CCOc1ccc(cc1OC)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:28:27:18.19:12.11|
CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1
C=CCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:27:26:17.18:11.10|
N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N |THB:0:1:8:14.12.13|
CC(C)CN(CC(C)C)Cc1c(O)ccc2c3CCCc3c(=O)oc12
Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1
COc1ccc2n(C)c3c(ncn(CCCN4CCOCC4)c3=O)c2c1
COC(=O)Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O
CCOC(=O)CC(=O)CSc1nc2CCCc2cc1C#N
COc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |TLB:5:8:15.16:26.24,THB:25:24:15.16:9.8,14:15:9.8:26.24|
CCCc1cc(N2CCN(CC2)C(=O)c2ccco2)n2c3ccccc3nc2c1C#N
Cc1nc2n(N=Cc3ccccc3)c3nc4ccccc4nc3c2c(=O)n1CCC1=CCCCC1 |t:34|
CN(C)Cc1c(O)ccc2c3CCCCCc3c(=O)oc12
COCCn1c(N)c(C#N)c2nc3ccccc3nc12
CCCc1cc(NCC2CCCO2)n2c3ccccc3nc2c1C#N
COc1ccc(cc1)-c1cc(c(C#N)c(SCC(=O)Nc2nc(C)co2)n1)C(F)(F)F
COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCC(C)C3)c2oc1=O
CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
CC(C)OC(=O)CC(=O)CSc1nc2CCCCCCc2cc1C#N
CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
Cc1cc(=O)n2ccccc2c1C#N
CCOc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:14.14|
COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O
CC(C)CCn1c(C)cc(\C=C(/C#N)C(=O)OCC(=O)NC(=O)NCC=C)c1C
CN(CCO)c1nc(N)c2c(N)nc3N(C4CCCC4)C(=O)Cc3c2c1C#N
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
COc1ccc(cc1)-c1c[n+]2CC(=C3CCCCn1c23)c1ccccc1
COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NCc1ccccc1
CC(C)Cn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
CC(C)c1ccc(C)cc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:15.15|
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cnc2ccccc2c1 |w:14.16|
COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11|
Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
CCOC(=O)c1cc(C(=O)OCC)c(=O)n2ccccc12
COc1ccc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1 |w:10.10|
O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(c1)[N+]([O-])=O
O=C(Nc1ccc(cc1)-c1nc2cc(NC(=O)c3cccs3)ccc2o1)c1cccs1
Cc1nc2c3cc4COC(C)(C)Cc4nc3sc2c(=O)o1
COc1ccc(cc1)C1Nc2c(sc3nc(C)c(C(C)=O)c(-c4ccc(Cl)cc4)c23)C(=O)N1
CCOC(=O)c1ccc(cc1)-c1ccc(CO)o1
CCCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc2c1=O
CCc1ccc(s1)-c1cc(n2nc(cc2n1)C(=O)Nc1cnn(Cc2ccccc2C)c1)C(F)(F)F
[#7]-c1nc(-[#7]-[#6]-[#6]=[#6])sc1\[#6](=[#6](\C#N)C#N)-c1ccccc1
Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)c(OC)c1 |w:7.7|
COc1ccccc1NC(=O)c1sc2ncn(Cc3cccc(C)c3)c(=O)c2c1C
Nc1cccc(c1)-c1nc2cc(ccc2o1)S(=O)(=O)c1ccc2oc(nc2c1)-c1cccc(N)c1
Cc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1
Cc1cc(C)c(C)c(c1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12
COCc1cc(=O)[nH]c2cc(NC(=O)C(F)(F)F)c(C)cc12
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
COC(=O)c1cc(Cl)c(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1OC
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:12|
Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1
CC(C)CCNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
COc1cc(ccc1O)-c1nc2ccccn2c1N=Cc1ccccc1 |w:18.20|
COC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12
COc1cc(ccc1O)-c1nc2ccccn2c1N=Cc1cc(OC)c(OC)c(OC)c1 |w:18.20|
Cc1cc(C)c(cc1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
[O-][N+](=O)c1cc(Cl)ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1
CN(C(=NS(=O)(=O)c1cccs1)c1ccccc1)c1ccccc1 |w:3.3|
[#6]\[#6](-[#6])=[#6](/[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#7]=[#6](-[#6])-c1ccccc1-[#8] |w:16.16|
CCN(CC)c1ccc(C=NNC(=O)Cc2cccs2)c(O)c1 |w:10.10|
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|
OC(=O)c1ccc(cc1)-c1nc2ccccc2[nH]1
Cc1ccc(cc1N=Cc1cc(Br)cc(Br)c1O)C(O)=O |w:7.7|
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
Cc1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1
CC(=O)Nc1sc(nc1-c1ccc(C)cc1)C(=C\c1ccc(Cl)c(Cl)c1)\C#N
Fc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2OCOc2c1
COc1cccc(C=NNC(=O)c2cc3c(OC)cccc3[nH]2)c1O |w:8.8|
O=C(Nc1nc2ccccc2s1)c1cc(nc2ccccc12)-c1ccco1
CCOc1ncccc1C(=O)OCc1ccc(cc1)C(=O)OC
O=c1cccc2-c3nc4ccccc4cc3Cn12
CN(C)c1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
OC(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Fc1ccc(cc1)C(=O)n1c(NCc2ccccc2)n[nH]c1=S
COc1cccc(C=Cc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2)c1 |w:8.8|
COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)C(=O)N(C)Cc1ccccc1)C(F)(F)F
CN(C)c1ccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3ccc(cc3)N(C)C)c2C)cc1 |w:20.19,8.8|
COC(CNC(=O)c1coc2nc3ccccc3nc12)OC
CNC(=O)c1cc2CCc3ccccc3-c2s1
COc1ccc(cc1)-c1ccnc2c(cnn12)C#N
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](\Cl)Cl)cn1
Cc1cc(C)c[n+](c1)-c1[n-]c(=O)sc1C=NNC(N)=S |w:15.17|
CC(=O)Oc1ccc2ccc(=O)oc2c1
CC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12
Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1Cc1ccccc1
CC1CCCCC1NC(=O)CN1C(=O)c2cccc(N)c2C1=O
CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c1
COc1ccc(cc1)-c1c\c(=N/CCC(O)=O)c2cc(C)ccc2o1
CCn1c(C)nc2cc(ccc12)C(=O)NN=C(C)c1ccc(OC)cc1O |w:15.16|
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1
COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
CCC(C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1 |c:11,25,t:9|
COCCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)s\c1=C(\C#N)C(=O)NCCOC
CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
O=C(NNC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccccc1
CCc1ccc(cc1)-c1cn2nc(cnc2n1)-c1ccccc1
CC(=O)c1ccc(C=Cc2nc3ccccc3n2C)o1 |w:8.8|
COc1cc(NC(=O)Nc2cccc(Cl)c2)c(cc1OC)C(O)=O
CCOC(=O)CC(=O)CSc1nc(CC)c(C)cc1C#N
Cc1cccn2c1nc1n(C3CCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
COCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
COc1cc2[nH]c(=O)n(CCCC(=O)N3CCC(=CC3)c3ccccc3)c(=O)c2cc1OC |c:17|
O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(CC1)c1ccccn1
OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O
Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1
COC(=O)c1cc(O)c2cccc(OC)c2n1
Cc1ccc(cc1)C1Nc2ccccc2C(=O)N1CCN1CCNC1=O
Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12
Cc1cc(C)c2c(N)c(sc2n1)C(=O)NN=Cc1cccs1 |w:15.16|
Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
CC1=CC(=O)Oc2c1ccc(c2)O
CN1CCCC1CCNc1ccc2c(c1)oc1cc(C)c(C)cc1c2=O
COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1ccc(OC)cc1)-c1ccc(OC)cc1
COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1ccc2OCOc2c1)-c1ccc(OC)cc1
COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1cc(OC)c(OC)c(OC)c1)-c1ccsc1
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
Cn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
O=c1[nH]c2ccccc2n1CCCSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
C=CCn1c2ccccc2c2nnc(SCn3c4ccccc4[nH]c3=O)nc12
Cc1ccc2n(CC=C)c3nc(SCCCn4c5ccccc5[nH]c4=O)nnc3c2c1
CCCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
O=c1[nH]c2ccccc2n1CCCSc1nnc2c(n1)[nH]c1ccccc21
CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)CCCn1c2ccccc2[nH]c1=O
C=CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
C=CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)CCCn1c2ccccc2[nH]c1=O