636 SMILES Strings for Nuclear receptor coactivator 1

Compound Name
SMILES String
O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(C)on1
Cc1nnc(SCc2ccccc2)n1N
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C
CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)=O
CCN(CC)CCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)NC1CCCCC1
O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1
Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C
CCn1c(SCC(O)=O)nnc1C1CCCCC1
COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC
COc1ccc(cc1)C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccc4OCOc4c3)c(=O)[nH]c12
CCS(=O)(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1 |(9.68,.83,;11.01,1.6,;11.01,3.14,;9.47,3.14,;12.55,3.14,;11.01,4.68,;12.34,5.45,;12.34,6.99,;11.01,7.76,;9.68,6.99,;9.68,5.45,;11.01,9.3,;12.34,10.07,;12.34,11.61,;11.01,12.38,;9.68,11.61,;9.68,10.07,;11.01,13.92,;12.34,14.69,;12.34,16.23,;11.01,17,;9.68,16.23,;9.68,14.69,)|
CC(C)n1c(SCC(=O)NCc2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)C(C)=O
[#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
CCOC(=O)C1C(N=C(SCC(O)=O)N=C1C)c1ccccc1 |c:14,t:7|
O=S(=O)(c1nc(oc1N1CCOCC1)-c1ccco1)c1ccccc1
Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1
CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:13.13|
CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21
NC1=NON(O)C1C(=N)N=O |t:1|
CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
Cc1cc(C=Nn2cnnc2)c(C)n1-c1sc(C)c(C)c1C#N |w:5.5,(4.54,-1.31,;6.01,-.84,;6.49,.63,;8.03,.63,;8.93,1.87,;8.3,3.28,;9.21,4.53,;10.75,4.53,;11.23,5.99,;9.98,6.9,;8.73,5.99,;8.5,-.84,;9.97,-1.31,;7.26,-1.74,;7.26,-3.28,;8.5,-4.19,;8.03,-5.65,;8.93,-6.9,;6.49,-5.65,;5.58,-6.9,;6.01,-4.19,;4.54,-3.71,;3.08,-3.23,)|
CCCCSc1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C
Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
c1coc(c1)-c1nc2c3cnn(-c4ccccc4)c3ncn2n1
Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1
Cc1csc(n1)C(C#N)C(=O)c1ccncc1
Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1
CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
CCN(CC)C(=O)CSc1nc2ncccc2[nH]1
Cc1cc(C)n(n1)-c1nc(SCC(=O)Nc2nccs2)c2c3CC(C)(C)OCc3sc2n1
C(c1cccs1)c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
Fc1ccc(cc1)C(=O)CSc1nnc(Cc2cccs2)n1CC=C
O=c1n(CCCN2CCOCC2)c(nc2ccccc12)-c1ccccc1
CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
CCOC(=O)c1ccc(NC(=O)CCc2nc(no2)-c2ccc(C)cc2)cc1
C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)CN1CCOCC1
O=c1cc(Cn2ccnc2)c2cc3CCCc3cc2o1
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C
Cc1cc(C)c(cc1C)C(=O)CSc1nnc(o1)-c1ccccc1Br
CCCCC(CC)Cn1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
Nc1nc(cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)n1
CCOC(=O)c1s\c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C
COc1cc(cc(OC)c1OC)C(=O)CSc1nc2ccccc2o1
C=CCn1c2nnc(SCC(=O)c3ccccc3)n2c2ccccc2c1=O
Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
CCOCCCNCc1ccc(OC)c(OC)c1
CCOC(=O)c1s\c(=N\C(=O)c2cccc(OC)c2)n(C)c1C
Clc1ccc2[nH]c(=S)[nH]c2c1
COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1
CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
CN(CP(O)(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O
Fc1ccccc1Cn1nnc2c(SCC(=O)N3CCN(CC3)c3ccccc3)ncnc12
COc1ccc(cc1)C(=O)C(C)(C)NO
[H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2nnc(s2)C(C)(C)C)C1=O |c:5,TLB:9:8:2:5.6,THB:25:7:2:5.6|
COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCc1ccco1
CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1
CCOC(=O)C1CCCN(C1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12
CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCC(C)CC1
CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1
Clc1cccc2sc(nc12)N1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1
Fc1ccc(cc1)-n1nnc2c(SCC(=O)NCc3ccco3)ncnc12
Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
FC(F)(F)c1cccc(c1)C(=O)Nc1cnccn1
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1
CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccncc1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
Brc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1
Nc1nc2ccc(cc2s1)N1CCOCC1
Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12
CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1
COc1ccccc1OCc1nc2ccccc2[nH]1
CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1 |t:10,18|
O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1
CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1
COc1cnn(-c2ccccc2)c(=O)c1N(C)C
CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c1=O
Fc1c(F)c(F)c(C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(F)c1F
CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12
COc1ccccc1C(=O)Nc1cccc(c1)-c1cn2ccsc2n1
COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1
COc1ccccc1C(=O)Nc1ccccn1
COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1
Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12
CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1
CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)n[nH]c1C
CCN1CCCC1CNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC
COc1ccc(OC)c2n(C)\c(=N\C(=O)C(C)(C)C)sc12
CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2OCOc2c1
CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1
Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1
O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccc1
CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F |(3.08,-.77,;4.41,,;3.64,1.33,;5.18,-1.33,;5.75,.77,;7.08,,;7.08,-1.54,;8.41,.77,;9.75,,;11.08,.77,;11.08,2.31,;12.42,3.08,;12.42,4.62,;13.75,2.31,;13.75,.77,;15.08,,;12.42,,;12.42,-1.54,;13.75,-2.31,;13.75,-3.85,;12.42,-4.62,;11.08,-3.85,;11.08,-2.31,;9.75,-1.54,)|
COc1ccc(cc1)-c1noc(Cc2ccccc2OC)n1
COc1ccc(NCCNc2ccc(OC)cc2)cc1
CCOC(=O)c1sc2nccc(N(C)C)c2c1\N=C\N(C)C
CC1(C)Cc2c(CO1)c(nc(SCC(=O)c1ccccc1)c2C#N)N1CCOCC1
Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
Brc1cncc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1
COC(=O)c1ccc(s1)S(=O)(=O)c1ccc(s1)C(=O)OC
Cc1cc(C)nc(c1)N=c1ssnc1Cl |w:8.8|
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
COCc1c(nnn1-c1ccccc1)C(=O)OC
COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(N)=O
CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
[H]C12CCC([H])(CC(O)(C1)c1ccc(F)cc1)N2C(=O)C(C)C |TLB:8:7:17:2.3,THB:10:7:17:2.3|
Cc1ccc(CSc2nc3CCCc3cc2C#N)cc1
CCOC(=O)c1c(C)c(sc1NC(=O)Cc1cccs1)C(=O)NC1CCCC1
CSC1=NC(C)(C)CC2(CC(Oc3cc(O)ccc23)c2ccccc2)N1 |t:2|
CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N
CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1cccc(Cl)c1 |c:11,t:5,8|
N#Cc1cc2CCCc2nc1SCc1ccccc1
Clc1ccccc1-c1nc(c(CC(=O)Nc2ccccc2)s1)-c1ccccc1
Cc1ccc(cc1)-n1nccc1-c1cc(Cl)sc1Cl
CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3CCc4cccc2c34)cc1
CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
COc1ccc(cc1)C(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
CSCCNC(C)=O
[O-][N+](=O)c1ccc(NC(=O)C(\NC(=O)C2CCCCC2)=C\c2cccc(c2)[N+]([O-])=O)cc1
COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N |c:36|
Cc1nn(c2CCc3cnc(nc3-c12)N1CCOCC1)-c1ccccn1
COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(O)cc1
CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2OCOc2c1
CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C
COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc12
COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N
CCN(CC)CCCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1
COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 |w:11.13|
COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1
COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1
COc1ccc(OCC(=O)Nc2cc(ccc2OC)-c2nn(C)c(=O)c3ccccc23)cc1
CCOc1nc(ccc1-c1noc(n1)-c1cccs1)-c1ccccc1
Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1
Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1
CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc12
O=C(CC1CCCC1)Nc1ccc2CCCc2c1
COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
COC(=O)c1sccc1NC(=O)c1ccc(Br)s1
CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1
Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
CC(C)CCNC(=O)NC(=O)COC(=O)\C=C\c1cnc2ccccc2n1
COc1ccccc1CN(C)C(=O)c1ccc2SCC(=O)Nc2c1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)C#N |w:4.3|
Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1
COC(=O)c1cnn(c1C)-c1nc2c(C)cccc2s1
Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1 |w:8.9|
COc1cc(OC)cc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1
Cc1c(Cl)cccc1NC(=O)C1S\C(=N/c2ccccc2)C(=C1N)c1nc2ccccc2s1 |c:23|
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12
CN(C)c1ccc(cc1)\N=C\C=C1/N(C)c2ccccc2C1(C)C
O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Cc1cc(Cl)ccc1Oc1ncnc2oc(cc12)-c1ccccc1
Fc1ccc(Oc2nc(ccc2C#N)-c2ccc(Cl)cc2)cc1
Cc1c(sc(NC(=O)COc2ccccc2C)c1C#N)C(=O)Nc1cccc(C)c1C
O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1
O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
COc1cc(cc(OC)c1OC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(=S)N1CCOCC1
CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O
COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1
N#Cc1c(SCc2nnc(o2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
COc1ccc(cc1OC)C1(CNC(=O)\C=C/c2ccco2)CCCC1
NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1
Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
Oc1ccc(C=NNC(=O)c2csc3ccccc23)cc1 |w:6.6|
COc1cccc(C=NNC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1 |w:8.8|
CC(=NOCc1ccc(F)cc1Cl)c1ccc(CC#N)s1 |w:2.2|
Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O
Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1
Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccc(Cl)cc1Cl
Clc1ccc(-c2csc(n2)-c2ccc(cc2)C(=O)NCC=C)c(Cl)c1
FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]nc1-c1ccccc1
FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12
Fc1ccc(cc1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F
Cn1nc(c(C(=O)Nc2ccc(cc2)C(F)(F)F)c1Cl)-c1ccccc1
CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1
CCOC(=O)CC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
Cc1ccc(C=C2SC(N)=NC2=O)s1 |w:5.4,c:9|
Cc1ccc(cc1)-c1cc(-c2ccccc2)c(C#N)c(Br)n1
O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1
Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O
Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1
Brc1ccc(\C=N\c2ccc(Nc3ccccc3)cc2)s1
COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O |w:11.11|
Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br |c:7|
Cc1c(NC(=S)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C
CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12
COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccc(C)cc2)cc1
COc1ccc(cc1OC)C(=O)NCC(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
COc1cc2CC(C)(C)N=C(Nc3ccc(cc3)S(N)(=O)=O)c2cc1OC |t:9|
CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2CCCc12
O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)N1CCCc2ccccc12
COc1ccc(cc1)-c1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1
Clc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
Fc1ccc(CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2F)c(Cl)c1 |t:7|
Clc1c(sc2ccccc12)C(=O)OCC(=O)NC1CCCCC1
COc1ccc(Nc2nc(c(Cl)s2)S(=O)(=O)c2ccc(C)cc2)cc1
CCOCCn1c2ccc(cc2s\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O
CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1
Cc1cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
CN1C(=S)N(C)\C(=C/c2cc(C)n(C3CC3)c2C)C1=O
CCOC(=O)COc1ccc(\C=C2/NC(=S)N(CC)C2=O)cc1
Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
Cn1ncc(c1C(=O)N\N=C\c1ccc(F)cc1)[N+]([O-])=O
CC(C)CNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccccc1
CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)on1)C2=O
Cc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(C)c(C)c1
CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
CC(C)NC(=O)NC(=O)CSc1ccccc1F
CN1C(=O)\C(=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc12
Cc1ccc(cc1)-n1c(O)c2CCC(Cc2c1O)c1ccccc1
CCn1cc(\C=C\C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1
Cc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;9.75,2.07,;10.99,1.17,;10.52,-.3,;8.98,-.3,)|
CC1=NN(C(=O)Cn2ccc(n2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
Cc1cc(cs1)C(=O)NN=Cc1c[nH]nc1-c1ccccc1 |w:9.9|
CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1 |w:10.10|
Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
Clc1ccc(CNC(=S)Nc2ccccc2)c(Cl)c1
CCc1cc2c(cc1OC(C)C(=O)NCCO)occ(-c1nc(C)cs1)c2=O
OC(C#CCN1CCCC1)(c1ccccc1)c1cccc(F)c1
CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc12
OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F |c:9|
OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|
CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 |c:5|
O=c1oc2ccccc2cc1-c1cn2ccccc2n1
COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCCc4ccccc34)c2n1
Brc1ccc(cc1)-n1c(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n[nH]c1=S
CC(=O)N1CCN(CC1)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1 |w:20.19|
Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12
CCn1cc(cn1)S(=O)(=O)Nc1ccccc1C(F)(F)F
CCn1cc(CNCc2cn(C)nc2-c2ccc(cc2)C2CCCCC2)cn1
COc1ccccc1C(=O)C1CCCN(C1)C(=O)CSc1ccccn1
Cc1ccc(cc1)-c1csc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)n1
Cc1ccc(cc1)S(=O)(=O)NC(=O)COc1ccccc1
Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
COc1ccc(cc1)S(=O)(=O)Nc1c(F)cccc1F
CN1CCS\C1=C/C=C1\SC(=S)N(CC(O)=O)C1=O
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1
Brc1ccc(o1)C(=O)NC(=S)Nc1ccccc1
Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+]([O-])=O
Cc1nnc(=O)[nH]c1N=NCc1cccs1 |w:8.8|
COc1ccc(cc1OC)-n1c(=O)c(\C=[NH+]\NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc[c-]2c1=O
CC(N=Nc1nc2ccccc2s1)c1ccc(Br)s1 |w:3.3|
CCCCOc1ccc(cc1)C(=O)N\C(=C\C=C\c1ccccc1)C(O)=O
Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O |w:8.7|
COc1ccc(cc1)C(N)=NOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 |w:10.11|
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1
Oc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1
Cc1ccc(-c2ccc(\C=C(/C#N)C(N)=S)o2)c(c1)[N+]([O-])=O
CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)OCc2cccnc2)c(Cl)c1
OC(=O)CCCC(=O)Nc1cc(ccc1O)[N+]([O-])=O
CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO
CC(C)(O)C#Cc1ccc(CN2CCN(C(CCO)C2)C2CCCCC2)cc1
Cc1ccccc1CC1(CO)CCCN(C1)C(=O)CCC(=O)c1ccccc1
O=C(CCC1CCCN(C1)C(=O)C1=CCCCC1)N1CCN(CC1)c1ccccn1 |t:13|
Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1
Cc1cccc(N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)S(C)(=O)=O)c1C
C(NC1CCCC1)c1cccnc1
CCc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1csnn1
Cc1occc1C(=O)NN=Cc1ccc(Br)s1 |w:9.9|
O=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1
CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1ccc(NC(C)=O)cc1 |t:4|
CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)N2CCOCC2)cc1
CCCCC(CC)c1nnc(NC(=O)c2cccs2)s1
O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1 |w:15.16|
NNC(=O)c1cnn(c1-n1cccc1)-c1ccccc1
Clc1ccccc1CSCCC(=O)NCc1cccs1
CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1
Oc1ccc(cc1)C1C(=O)c2ccccc2C1=O
CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC(C)C)cc2)n(C)c1C
CN(C)CCCN(C(=O)c1ccc(cc1)-n1c(O)ccc1O)c1nc2c(F)cccc2s1
COc1ccc(cc1OC)C(=O)\N=c1/sc2ccccc2n1C
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
Clc1ccc(cc1)C(=O)NN=Cc1cnc(s1)N1CCCCC1 |w:10.10|
CCOC(=O)CS(=O)(=O)c1ccc(O)cc1
Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N
Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1 |w:10.11|
COc1ccc(Br)cc1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
NNc1nc2c(nnn2c2ccccc12)-c1ccc(F)cc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
Clc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC
OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
Brc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:11.11|
CCOc1ccc(NC2=NN=C(CS2)c2cc(C)n(CC3CCCO3)c2C)cc1 |c:10,t:8|
CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1Cl
CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8|
CN(CC(=O)Nc1ccc(C)cc1)C(=S)NC1CC1
CCOc1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:16|
C1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1 |w:9.11|
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1
CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1
COc1ccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N(C)C)cc1
CCc1nc2ccc(cc2nc1CC)C(=O)Nc1nnc(C)s1
O=C(COc1ccccc1-c1ccccc1)NCc1ccco1
Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1
COc1ccc2c(cc(SCC(=O)NC(N)=O)nc2c1)-c1ccccc1
O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1
C1CC1c1nc2ccc3[nH]snc3c2n1
COC(=O)c1cccc2C(N=O)c3ccccc3-c12
CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc12
CCOc1ccc(Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
Cc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F
COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1
C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1
COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccncc1
CC(C)(C)n1ncc2c1ncn(CC(=O)OCc1ccccc1)c2=O
COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC
CN1C(=O)CSc2ccc(NC(=O)Nc3cccc(c3)C(C)=O)cc12
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1
CCN(c1cccc(C)c1)c1ncnc2nc[nH]c12
COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCCCC1
CC(=O)c1c(C)n(OCC=C)c2ccc3nonc3c12
Clc1ccc(cc1)-c1csc2ncnc(NCCN3CCOCC3)c12
CCOc1cc(cc(Br)c1OC)C(N)=O
C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O |w:7.6,5.4|
Cc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O
CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O
CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CC(C)(C)C3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
[#6]-[#6]-[#6](=O)-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
COc1ccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)cc1
Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1
COc1ccc(OC)c(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C
Clc1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NCc2cccnc2)cc1
Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1
CS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1Oc1ccccc1
COc1cccc(CN=Nc2cc(ncn2)-n2nc(C)cc2-c2ccccc2)c1O |w:9.9|
NNC(=O)c1cc2ccccc2cc1O
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)cc1
Cc1nc(c(Sc2nc3ccccc3n2C)n1Cc1ccccc1)[N+]([O-])=O
CC(C)(C)c1cc(C(=O)NN=Cc2ccc(O)cc2)n(n1)-c1ccccc1 |w:10.9|
CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1
ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
COC(CN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl)OC
COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Cc1cc(\C=C2/Cc3ccccc3C2=O)c(C)n1-c1ccccc1
O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc12
Cc1ccc(cc1C)N(CCC#N)C(=O)CCl
On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
COc1cc2[nH]c3c(Cl)ncnc3c2cc1OC
[O-][N+](=O)c1ccc(\C=N/NC(=O)c2cncc(Br)c2)s1
ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
CCCc1c(C)nc2ccccc2c1SCCC#N
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Cc1ccc(o1)C1=NN(C(C1)c1cccs1)C(=O)CCl |t:7|
Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1
CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2F)cc1 |(5.52,9.58,;6.14,8.18,;7.68,8.02,;5.24,6.93,;5.87,5.52,;7.4,5.36,;8.02,3.96,;7.12,2.71,;7.74,1.3,;6.84,.06,;7.47,-1.35,;9,-1.51,;6.56,-2.59,;5.02,-2.59,;4.54,-4.06,;3.08,-4.54,;5.79,-4.96,;7.04,-4.06,;8.5,-4.54,;5.79,-6.5,;7.12,-7.27,;7.12,-8.81,;5.79,-9.58,;4.46,-8.81,;4.46,-7.27,;3.12,-6.5,;5.59,2.87,;4.96,4.28,)|
Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Nc1ncnc(NCc2ccccc2)c1[N+]([O-])=O
Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1
COc1cc(cc(OC)c1OC)C(=O)N\N=C(/c1ccccc1)c1ccccn1
Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1
Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1-c1ccc(C)cc1
Fc1ccccc1-c1cs\c(=N/c2cccnc2)n1CCCn1ccnc1
Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC=C
CC(=NNC(=S)Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)c1ccccc1F |w:2.2|
CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2)cc1
CCOC(=O)C(C=Nc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC |w:7.7,t:13|
Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O
CN(C)c1ccc(cc1)C(=S)Nc1ccccc1
COc1cc(C=NNC(N)=S)cc(Br)c1OCc1ccccc1F |w:6.6|
Cc1cccc(NC(=O)c2cc(Cl)ccc2[N+]([O-])=O)c1
[O-][N+](=O)c1ccc(\C=N/NC(=O)C2COc3ccccc3O2)o1
CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC
COc1ccc(Nc2ccncc2[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2cccc(c2)[N+]([O-])=O)o1
Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1
Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Cc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
O=C(CC1CS(=O)(=O)CC1CC(=O)Nc1ccc2OCCOc2c1)Nc1ccc2OCCOc2c1
CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(OC)c(F)c1
Cc1c(Cl)cccc1NC(=O)Nc1ccccc1C(N)=O
COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1
CC(C)(C)C(=O)Nc1ccc(cc1)\N=N\c1ccccc1
O=C(Nc1cccnc1)c1ccc(cc1)C(=O)Nc1cccnc1
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Cc1ccc2nc(c(NC3CCCC3)n2c1)-c1ccncc1
[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:5,8|
COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cccc(c1)[N+]([O-])=O
Brc1cc(\C=N\NC(=O)c2ccncc2)sc1Br
CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
CC(=O)c1ccc(Nc2c3CCCCc3nc3ccccc23)cc1
O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
Fc1ccc(cc1)S(=O)(=O)c1snnc1-c1ccccc1
CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
Cc1cc2nccc(-c3ccncc3)n2n1
Nc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12
CNC(=O)c1cccn(Cc2ccc(cc2)C(F)(F)F)c1=O
Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1
[#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc2-[#8]-[#6]-[#6]-[#8]-c2c1)\[#6](-[#6])=O
ClCC(=O)NC(Cc1ccccc1)c1ccccc1
CC(=O)Nc1ccc(cc1)\[NH+]=c1/scc(-c2ccc(C)cc2)n1CC=C
COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1sccc1C(N)=O
Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Cc1ncc(C=O)c(CNNC(=O)c2cc3CCCCc3s2)c1O
ClCC(=O)N(C1CCCCC1)c1ccccc1
C(N=Nc1ccc2ccccc2n1)c1ccc2OCCOc2c1 |w:2.2|
[O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)NCCCn1ccnc1
Oc1ccc2c(C#N)c3ccccn3c2c1
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc3-[#8]-[#6]-[#6]-[#8]-c3c2)-[#6](=O)-[#7]-1
COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
CCOc1ccc(\C=C2/SC(=S)N(CCC(O)=O)C2=O)cc1
COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12
OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl
OCCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1
CN(C)c1ccc(\C=C\c2ccc3ccccc3n2)cc1
N1c2ccccc2Sc2cnccc12
Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1
CN(C)S(=O)(=O)c1ccc(N2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)c(Cl)c1
COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1
C(N=Nc1nc2ccccc2[nH]1)c1cccc2cccnc12 |w:2.2|
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(NC(=O)CN)c4cc3Cn1c2=O
NC(=S)NN=C1CCOc2ccc(Cl)cc12 |w:4.3|
COc1cccc(F)c1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
CCOC(=O)CC(=O)CSc1nccc(n1)-c1cccnc1
CCC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1
NC(=S)NN=C1CCSc2ccc(Cl)cc12 |w:4.3|
NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
COc1cc(cc(OC)c1O)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)c2cccs2)c2cc3OCOc3cc12
Nc1ccc(Oc2ccccc2-c2ccccc2)cc1
Cc1ccc(cc1)N=Nc1ccc2ccccc2c1O |w:7.7|
CC(=O)N1CCN(CC1)c1ncnc2ccccc12
COc1ccc(OC)c(c1)N=CCC(=O)c1ccccc1 |w:10.10|
CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Nc1ccc(cc1)-c1cc2ccccc2oc1=O
CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(F)cc2)cc1 |c:15|
COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1O
Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12
COc1cc(\C=C2/CC(C\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)C(C)(C)C)cc(OC)c1OC
CN1CCN(CC1)c1ccc(NC(=O)N2CCc3ccccc23)cc1
Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
CN(C)\C=C\C(=O)c1ccc2noc(-c3ccccc3)c2c1
COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O |w:8.7|
CC1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1F |t:8|
[O-][N+](=O)c1cccc2c1ccc1ncccc21
Clc1nc(Cl)c(C(=O)NCc2ccccc2)c(Cl)c1Cl
ClCC(=O)N1N=C(CC1c1ccco1)c1ccco1 |c:5|
COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc2c1=O |(4.41,-2.55,;5.75,-1.78,;7.08,-2.55,;7.08,-4.09,;5.75,-4.86,;5.75,-6.4,;7.08,-7.17,;8.41,-6.4,;8.41,-4.86,;9.75,-4.09,;9.75,-2.55,;8.41,-1.78,;8.41,-.24,;7.08,.53,;5.75,-.24,;7.08,2.07,;5.75,2.84,;4.41,2.07,;3.08,2.84,;3.08,4.38,;4.41,5.15,;5.75,4.38,;7.08,5.15,;7.08,6.69,;8.41,4.38,;11.08,-1.78,;12.42,-2.55,;13.79,-1.73,;15.19,-2.52,;15.19,-4.12,;13.79,-4.91,;12.42,-4.09,;11.08,-4.86,;11.08,-6.4,)|
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
COCCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1ccccn1
Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
CCOc1ccc(\C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1
Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1 |w:8.7|
CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1
COC(=O)c1cc(c[nH]1)S(=O)(=O)NCCc1ccc(Cl)cc1
Clc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1
Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1
C[C@@H](C(=O)Nc1ccc2OCCOc2c1)n1c(=O)[nH]c2ccccc2c1=O
O=C(NCCc1ccccc1)c1ccc2OCCOc2c1
Clc1ccccc1C(=O)N\N=C(/c1ccccc1)c1ccccn1
Cc1ccc2occ(\C=N\NC(=O)c3ccccc3Br)c(=O)c2c1
COc1cccc(NC(=O)CSc2nnc(o2)-c2cc(C)n(c2C)-c2ccccc2)c1
CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C
CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(coc12)C(=O)c1ccc(C)cc1
Nc1nc2n(cnc2c(=S)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O
COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
CC(C)n1c(C)cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C
Nc1ncccc1C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
COc1cccc(CNc2ncnc3ccc(cc23)-c2c(C)noc2C)c1
CC(C)C(NC(C)=O)c1cc(Cl)c2cccnc2c1O
O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(cc1)N1CCCCC1
Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccccc1 |t:10|
COc1ccc2ncn(-c3ccccc3)c2c1
CC(C)n1c(nc2cnccc12)-c1cccnc1
COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
C1CCc2c(C1)sc1ncn3nnnc3c21
CC(=O)N1CCN(CC1)c1ccc(Oc2ncnc3sccc23)cc1
CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12
COC(=O)c1sc2cnccc2c1N
CC1CCN(CC1)C(=O)c1scc2OCCOc12
C(CN1CCOCC1)Nc1ncnc2scc(-c3ccccc3)c12
COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1
C=CCNc1c2cc(ccc2ncn1)Br
CCC(C)(C)n1nnnc1CN1CCC(CC1)n1c(C)nc2cc(ccc12)C(F)(F)F
CC1(C)Cc2c(ccc3ccccc23)C(=O)N1
CC(C)n1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1nc(c(C#N)c1N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F
CC(=O)c1cc2c(C)cc(=O)oc2cc1O
Cn1nc(c(C#N)c1N1CCN(CC1)c1ccccc1)C(F)(F)F
CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccccc1
CCOC(=O)c1c(NC(=O)C(C)N2CCN(CC2)C(=O)c2ccco2)sc2CCCCc12
Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1
COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\[NH+]=C\c1cc(Br)cc(OC)c1[O-]
CC1CCCCN1c1ncnc2ccccc12
Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl
CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc2CCCCc12
Oc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl |w:8.9|
Nc1c(C#N)c(-c2ccccc2)c(C#N)c2nc3ccccc3n12
CC(O)Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc(c3)C(C)=O)cc2oc1=O
Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc(ccc2C)[N+]([O-])=O)c1
Cc1c(NN=C(C#N)C(=O)c2ccccc2C)c(=O)n(-c2ccccc2)n1C |w:4.3|
[O-][N+](=O)c1cc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc(OCC(F)(F)C(F)F)c1
CN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12
COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1
COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)c1O |w:8.8|
OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O |w:14.14,4.4|
COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O |w:8.8|
Oc1ccc(Br)cc1C=NNC(=O)C(N1CCOCC1)c1ccncc1 |w:9.10|
Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)NNC(=O)c1cnccn1
CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
Oc1ccccc1C=NNC(=O)CCn1cnc(c1-c1ccccc1)-c1ccccc1 |w:8.9|
Fc1ccc(COc2cccc3C(=O)N(Cc4ccccc4)CCc23)cc1
OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O |w:14.14,4.4|
c1scc2c1ncc1cnccc21
CC(C)C=NNC(=O)c1[nH]c2ccc(cc2c1C)[N+]([O-])=O |w:4.4|
COc1ccc(cc1)-n1cnc(N)c1C(=O)c1cccc(c1)[N+]([O-])=O
Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1
ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1 |c:5|
Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN=Cc2cccc(O)c2O)n1 |w:18.18|
Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccc(Cl)cc1
CC(=O)Oc1ccc(\C=N\NC(=O)COc2ccccc2CC=C)c(OC(C)=O)c1
CN(C)\C=N\c1c(sc2nccc(N(C)C)c12)C(=O)c1ccccc1
CCC(=O)Oc1c(C)c2oc(=O)cc(C)c2cc1C(=O)CC
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN(CCO)CCO)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
CN(C)C(=O)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1
CCn1c(Oc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
ClCC(=O)N1N=C(CC1c1ccco1)c1cccs1 |c:5|
CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F
CCCCN(CCCC)c1ncnc2nc[nH]c12
CCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1
COc1ccc(Cc2nnc(SCc3ccc(cc3)[N+]([O-])=O)o2)cc1
O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1
OC(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
CCN(Cc1ccncc1)C(=O)CC1N(Cc2ccc(F)c(F)c2)CCNC1=O
[O-][N+](=O)c1ccccc1C(=O)Nc1ccncc1
O=C(CCC1CCCC1)Nc1ccc(cc1)C(=O)NCc1cccnc1
CCc1c(C)nc2c(C)cccc2c1SCCC#N
CC1C(C(C)=O)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:7,9|
CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
[O-][N+](=O)c1ccc2[nH]c3c(CCNC3=O)c2c1
Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1
Fc1cccc(CSc2nnc3ccc(nn23)-c2ccncc2)c1
COc1ccc2c(C#N)c3ccccn3c2c1
FC(F)(F)c1ccc(NC=C2SC3CCC(=O)N3C2=O)cc1 |w:9.8|
COc1cc2C(CNC(=O)c2cc1OC)NC(=O)C(F)(F)F
CCCCC(=O)Nc1cccn2ncnc12
CCCS(=O)(=O)c1c(C(=O)N\N=C\c2cc(O)cc(O)c2)n2cccc(C)c2c1S(=O)(=O)CCC
Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1Cc1cccs1
COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1
CN(C1CCS(=O)(=O)C1)c1ncnc2sc3CCCc3c12
COc1cc(OC)c2cc([nH]c2c1)C(=O)NN=Cc1cccc(OC)c1O |w:16.17|
Cn1c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2c(=O)n(C)c1=O
O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)-n1cnnn1
[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#6]-[#8]-[#6]-[#6]-[#6]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
Cc1nn(c(C)c1\C=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
Cc1nc2ccccn2c1-c1cc[nH]c(=S)n1
CCOC(=O)CSc1cc(nc2ncnn12)-c1ccccc1
[H][C@@]12C[C@@]34C(=O)C(=C)[C@@]5([H])C[C@@]3([H])[C@@]3([H])N1C[C@]1(C)CCC[C@]3([C@]21[H])[C@]4([H])[C@@]5([H])O |TLB:5:4:25.27:11.10,4:3:15:22.23,7:6:25.27:11.10,25:22:15:3.11.2,2:3:22.13:27.10.8,27:25:11:15.1.2,THB:4:3:22.13:27.10.8,23:22:11:15.1.2,23:1:22.25:11,25:3:15:22.23,17:23:15:3.11.2,2:1:22.13:17.16,16:15:22.23:3.11.2,16:15:22.25:11,10:11:15:22.23,10:11:22.25:15.1.2|
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1
CCn1c(Oc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12
S=C(N1CCOCC1)c1ccc(cc1)-c1ccccc1
COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1