906 SMILES Strings for Alkaline phosphatase, germ cell type

Compound Name
SMILES String
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:32|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OCc1ccccc1 |r,t:29,42|
CC(C)N1C[C@@H](C)C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6CC(=O)CC[C@]6(C)[C@H]5CC4=C(C)C3)[C@H](C)[C@H]12 |r,t:30|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNCC(=O)c2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:45|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C)O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:24,37|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:38|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:39|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:46|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:47|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:43|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:43|
CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C |r,c:9|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(C)=O |r,t:31|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC2=C(C)C1)=NO |r,w:40.47,t:42|
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CNCc1ccccc1 |r,t:42|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CN |r,t:31|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C1C)NS(C)(=O)=O |r,c:31|
Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1
CN(C)CCNc1ncnc2ccccc12
[H]C12CCC([H])(CC(C1)NC(=O)NC13CC4([H])CC([H])(CC([H])(C4)C1)C3)N2Cc1nnnn1Cc1ccco1 |TLB:17:18:24:15.14.23,THB:20:18:14:21.24.23,20:21:14:18.25.17|
CCOC(=O)C1CCN(CC1)c1cc(C)nc2cc(nn12)-c1cccc(F)c1
CN1C(=S)S\C(C1=O)=C1/C=Cc2ccccc2N1CCCS(O)(=O)=O |c:10|
COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cc(OC)c(O)c(OC)c1
O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
CCCOc1ccccc1Cn1c2cc(C)ccc2oc1=O
Cn1cccc1C(N(C(=O)Cc1cccs1)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(OC)c1
Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1
COc1ccc(Cl)cc1NC(=O)CN1CCC(CC1)n1nnc2cc(C)ccc12
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
COc1ccc(cc1)-c1cc(NCc2ccccn2)n2ncnc2n1
Nc1[nH]nc2nc(NCc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C |c:5|
O=NC(N1CCCCC1)P(=O)(N1CCOCC1)N1CCOCC1
CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21
OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
COc1ccc(OCC(O)Cn2c3ccccc3n(Cc3ccccc3)c2=N)cc1
COc1ccc2n(CC(=O)NCc3ccco3)c(C)cc(=O)c2c1
COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cccc(Br)c1 |c:15|
COC(=O)COc1nc(C)c(Br)c(OC)n1
CC(C)n1c(nc2ccccc12)-c1ccc(cc1)N(C)C
COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC
OP(O)(=O)c1ccccc1OCc1ccccc1
Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
c1nn(-c2ccccc2)c2ncn3cnnc3c12
Clc1ccc(cc1)S(=O)(=O)N1CCSC1c1ccco1
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1
Clc1ccc(cc1)-c1nnn(CC(=O)NCCC2=CCCCC2)n1 |t:18|
Clc1ccc(cc1)-c1nnn(CC(=O)NCC2CCCCC2)n1
CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C
COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
CCCn1c(nc2ccccc12)C(O)c1ccc2OCOc2c1
Cc1cc(C2N=C(N)Nc3nc4ccccc4n23)c(C)n1-c1ccc(C)cc1C |t:5,(5.56,-1.7,;6.82,-.81,;6.83,.73,;8.3,1.19,;8.8,2.65,;10.37,2.97,;10.86,4.5,;12.37,4.82,;9.78,5.68,;8.22,5.32,;6.97,6.23,;5.73,5.32,;4.16,5.68,;3.08,4.5,;3.58,2.97,;5.15,2.65,;6.2,3.86,;7.74,3.86,;9.19,-.07,;10.73,-.08,;8.28,-1.3,;8.73,-2.77,;10.24,-3.11,;10.7,-4.58,;9.65,-5.71,;10.11,-7.18,;8.15,-5.37,;7.69,-3.9,;6.19,-3.57,)|
FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccc(Cl)cc2O1
[H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2 |TLB:8:7:2.3:6.5,(7.09,2.4,;6.6,3.85,;2.76,2.16,;3.53,.83,;6.2,2.37,;9.02,1.2,;9.42,2.69,;4.69,5.16,;3.21,5.56,;2.81,7.05,;1.32,7.45,;.92,8.93,;2.01,10.02,;1.61,11.51,;3.5,9.62,;4.59,10.71,;3.9,8.14,;6.03,5.93,)|
O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1
COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
CCCCCCNS(=O)(=O)c1ccc(Cl)s1
Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccccc1
CCc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)cc2)cc1
CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccc(Cl)cc2O1
CNc1nnc(s1)-c1cc2ccccc2oc1=O
Nc1nonc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)ccc1NC(=O)C(C)C
Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
COc1ccc(cc1)S(=O)(=O)NCCSCc1cccs1
CCOC(=O)SC1=N\C(=C/c2ccc(cc2)N(C)C)C(=O)S1 |t:6|
CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccc(C)cc1
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
Cc1cc(NC(=O)CCCSc2nc(cc(n2)C(F)(F)F)-c2ccco2)no1
Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4|
COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Cc1c(Cl)cccc1NC(=O)NC1CCCCC1
Oc1ccc(\C=C(/C#N)S(=O)(=O)c2ccccc2)cc1O
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1cccnc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Fc1ccc(OCc2nc(no2)-c2ccc(Br)o2)c(F)c1
CCCn1c(nc2ccccc12)C(O)c1ccc(OCC)cc1
CCCn1c(CNc2ccc(Br)cc2)nc2ccccc12
COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
FC(F)(F)C1(NC(=O)NCc2cccnc2)Oc2ccc(Cl)cc2O1
Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(n[nH]1)-c1ccccc1
CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
CCCCC(CC)CNC(=O)c1cccs1
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCOc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
COc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
Cc1nc2sc3c([nH]c(O)cc3=O)c2c(C)c1C
OC12NC(=O)N(CC=C)C1(O)c1ccccc1C2=O
Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1
Cc1ccc(Cn2c3ccccc3n(CC(O)COc3ccccc3)c2=N)cc1
N=C1C(C#N)C2(CCCCC2)Cc2ccccc12
Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1ccccc1 |c:4|
Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccccc1
Cc1ccc(cc1)C1CC(=NNC1=O)c1ccc(Cl)cc1 |c:10|
Cc1ccc(NC(=O)COc2ccccc2CNC(C)(C)CC(C)(C)C)cc1
Clc1ccc2n(CSc3nc4ccccc4s3)c(=O)oc2c1
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1ccccc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Clc1ccc(cc1Cl)-c1nnnn1-c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1)-n1cnc2cc(NCc3cccs3)ccc12
Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
Cc1cc(Nc2ccccc2)n(n1)-c1ccc(Br)cc1
CCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
Cc1ccc(N2CCN(CC2)C(=O)CCc2nc3ccccc3[nH]2)c(C)c1
Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
CCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
Cc1ccc(C(=O)c2ccc(cc2)[N+]([O-])=O)c(C)c1
Clc1ccc(CSc2nnnn2-c2ccc3OCOc3c2)c(Cl)c1
Clc1ccccc1OCc1nc(no1)-c1ccc(Br)o1
CCC(C)NC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1
Cn1nc(CC(=O)NC2CCCCCCCCCCC2)c2ccccc2c1=O
CCCCN1CCc2c1nc1ccc(Br)cc1c2N
Cc1ccsc1\C=C1/CCc2ccccc2C1=O
Cc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)c1ccc(cc1)C(C#N)c1ccccc1
Cc1cc2cc(CNC(=O)Nc3cccc(C)c3)ccc2n1C
Nc1cc(nn1S(=O)(=O)c1ccc(F)cc1)-c1ccccc1
Clc1ccc(cc1)N1CCN(Cc2ccccc2Cl)CC1
Cc1ccccc1NC(=NOCc1ccc(Cl)cc1Cl)c1nonc1N |w:9.10|
COc1cccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1
COc1cccc(NC(=O)C2CCN(Cc3cnn(c3-n3cccc3)-c3ccccc3)CC2)c1
Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1
Cc1ccc(cc1)-n1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nccs1
Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
C(CNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
CC(N(Cc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1
Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
CCCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1
CCCCOC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
CC1CCCC[C-]1\N=[NH+]\c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1
Clc1ccc(OCn2c3ccccc3sc2=O)cc1
CNC(=O)c1cc2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1
CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
Cc1cc(OCc2nc(no2)-c2cccs2)cc(C)c1Cl
FC(F)(F)c1cc(nc(NCc2ccc(Cl)cc2)n1)-c1ccco1
CCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
CN(C)c1ccc(\C=C\c2cc[n+](C)cc2)cc1
COc1ccc2C(CC(=O)c3ccc(O)c(O)c3)OC(=O)c2c1OC
CCc1ccc(CN=CCC(=O)c2ccc(Br)cc2)cc1 |w:7.6|
CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12
N(c1ccccc1)c1cccc(Nc2ccccc2)n1
CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
CCCCCCCCNc1ncnc2ccccc12
COC(=O)c1c(O)c(=Cc2ccc(O)c(OC)c2)[nH]c1=C |w:8.8|
CCSc1nc(cc(-c2cccs2)c1C#N)C1CC1
CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(CC)cc1
COc1ccc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,8.65,;14.69,8.65,;15.46,7.32,;14.69,5.98,;13.15,5.98,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
COc1ccc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,5.98,;14.69,5.98,;15.46,7.32,;17,7.32,;14.69,8.65,;13.15,8.65,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
CC(C)c1ccc(OC(=O)c2cccs2)cc1C
CCOc1ccc(cc1)S(=O)(=O)NCCSc1ccccc1
O=C(CSc1nsc(SCC(=O)OCc2ccccc2)c1C#N)OCc1ccccc1
CCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 |t:17|
COC(=O)C(N)Cc1ccc(O)c(O)c1
CN1c2ccccc2C(C)(C)[C@@]11Oc2ccc(O)cc2C=C1 |c:23|
CCCCCCCCOC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O)C(O)c1ccccc1
Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O
COc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C\C=C\c2ccccc2)CC1
C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
CCCCNC(=S)NN(c1ccccc1)c1ccccc1
CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,3.2|
CCC(C)c1ccc(cc1)-c1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1
CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7|
Cc1cc(Nc2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
CCOC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc21
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#8]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c3ccccc23)-[#6](=O)-[#7]-1
Brc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)cc1 |w:6.6|
Brc1cccc(CN2CCCCCCC2)c1
C(Cc1ccncc1)SCc1ccccc1
Cc1cccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Clc1ccc(CSCCc2ccncc2)cc1
O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1
Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C
CN(C)C(\C)=C/c1oc2ccc(O)cc2c1[N+]([O-])=O
Oc1ccc(cc1\C=C1\NC(=S)NC1=O)[N+]([O-])=O
Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
CC(CCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)NC(C)CCc1ccccc1
O=C(Oc1ccc(cc1)C(=O)Nc1ccccc1)c1cc2ccccc2o1
Cc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1 |w:6.6|
Cc1cc(Nc2ccccc2)n(n1)-c1cccc(Cl)c1
CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
CCCCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
O=C(OCc1ccc(cc1)C#N)C1CCC(=O)N1
CC1Cc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2)n1CCc1ccccc1
Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)C1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC(=O)NC2CCCc3ccccc23)CC1
COc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:5.4,t:8|
Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)no1
Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
O=C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
CCn1nc(C)c(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:8.8|
CCn1cc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c(C)n1 |w:6.6|
FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
CCOc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O |c:11|
Cc1ccc2[nH]c3c(CC\C(=C\c4ccccc4)C3=O)c2c1
Cc1nn(C)cc1C=NNC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1 |w:8.9|
FC(F)Oc1cccc(c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
CCn1ncc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:7.7|
CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F
COc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1ccc(F)cc1)C(=O)c1ccn[nH]1
CCC1CCc2c(O1)c1ccccc1[nH]c2=O
Cc1ccsc1C=NNC(=O)CSCc1ccc(C)cc1 |w:7.8|
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1
COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
CN1C(=S)NC(=O)\C(=C\c2ccc(o2)N2CCCCC2)C1=O
CCOc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:12.11|
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|
COC(=O)c1cn[nH]c1NC(=S)Nc1ccccc1C
Clc1ccc(cc1)-c1cc(CSc2cccc(Cl)c2)on1
COc1ccc(cc1)C(N(C(=O)c1snc(c1N)-c1ccc(F)cc1)c1cccc(F)c1)C(=O)NC1CCCC1
CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cccc(N)c1 |w:3.3|
Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
[O-][N+](=O)c1ccc(N2CCNCC2)c2ncccc12
Clc1ccc(CN2CCCCCCC2)cc1Cl
CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC
[O-][N+](=O)c1ccccc1N=NCc1ccccc1Cl |w:9.9|
CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
NS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1
[H]C12CCCC([H])(CC(C1)NC(=S)Nc1ccccc1CC)N2Cc1cccs1
Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
Nc1cc(N2CCCCC2)c(Cl)cc1[N+]([O-])=O
Cc1[nH]c2ccccc2c1\C=C\c1cc[n+](C)cc1
CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1 |t:27|
CCNc1nc(Cl)nc(NCc2ccccc2)n1
Clc1ccc(\C=C\c2nc3ccccc3[nH]2)c(Cl)c1
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccccc2)C1=O |w:14.15|
Cc1ccc2oc(N)c(C=O)c(=O)c2c1
COc1cccc(OCCNc2cc(Cl)ccc2[N+]([O-])=O)c1
CCc1ccc(NSc2ccccc2[N+]([O-])=O)cc1
CC(CNc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1Br
CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O
CCCc1nc2c(C)cc(C)cc2c(N)c1CC
Brc1cncc(c1)C(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O
CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
Cc1cc(ccc1NCc1ccc2ccccc2c1)[N+]([O-])=O
CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)n1 |w:13.13|
[O-][N+](=O)c1ccc2nc(SCc3ccccc3Cl)sc2c1
CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 |w:5.5|
COc1cc(\C=C2\CCC\C(=C/c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1
COc1cccc(C=NNC(=O)CCc2ccccc2)c1 |w:8.8|
Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccccc1)-c1ccccc1 |w:8.9|
Clc1ccc(OCc2cccc3ccccc23)c(CN=O)c1
Cc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1
CSc1cccc(NC(=O)\C=C\c2ccccc2)c1
Cc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
CCOC(=O)c1cc(n[nH]1)-c1ccc2OCCOc2c1
Cn1nc(cc1C(O)=O)-c1ccc(F)cc1
COc1ccc(cc1)-c1[nH]nc2oc(=O)cc(C)c12
CCOC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
Cn1nc(cc1-c1ccc(F)cc1)C(O)=O
COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccnc1
CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1
COC(=O)c1cc(n[nH]1)-c1ccc(OC)cc1
O=C1N(C(=O)c2ccccc12)c1nnc(Cc2ccccc2)[nH]1
COC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1
COC(=O)c1cc(n[nH]1)-c1ccc(C)cc1C
COC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
CCCCOc1ccc(cc1)-c1cc([nH]n1)C(=O)OC
COC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
O=C(N1CCCC1)c1[nH]nc-2c1COc1ccccc-21
O=c1cc([nH][nH]1)-c1cccc2ccccc12
COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
OC(=O)c1cc(n[nH]1)-c1ccccc1Cl
COC(=O)c1cc(n[nH]1)-c1ccccc1
Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12
COc1ccc(c(c1)S(=O)(=O)Nc2cc3ccccc3nc2)OC
COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1
O=C1C(C(=O)c2ccccc12)c1nc2ccccc2[nH]1
O=C1N(C(=O)c2ccccc12)c1nncs1
O=C1N(C(=O)c2ccccc12)c1nnc[nH]1
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(CCc2ccccc2)[nH]1
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1cccnc1
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(Cc2ccccc2)[nH]1
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
COc1ccc2C(=O)N(C(=O)c2c1OC)c1nnc(SC)[nH]1
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1Cl
COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
COc1ccc(C)cc1S(=O)(=O)Nc1cnc2ccccc2c1
COc1ccc(C)cc1S(=O)(=O)Nc1ccc2ccccc2c1
Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1
Oc1ccc(C(=O)CSc2nnc([nH]2)-c2ccccc2)c(O)c1
CCc1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
Cc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)CNc1ccncc1
Oc1ccc(cc1O)C(=O)Cn1ccnc1
Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2)n1
COc1ccc(cc1)C(=O)CSc1nc(C)cc(C)n1
CCc1nccn1CC(=O)c1ccc(O)c(O)c1
Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)Cn1cnc2ccccc12
Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccccc2)n1CC=C
COc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Oc1ccc(CCN=CC2C(=O)Nc3ccccc23)cc1O |w:7.6|
Cc1cnn(CC(=O)c2ccc(O)c(O)c2)c1
Fc1cccc2C(=O)N(C(=O)c12)c1nnc(Cc2ccccc2)[nH]1
NNC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
CN(C)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
CC(C)NC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)c1
COC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
OC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
CN(C)C(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
CC(C)NC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)cc1Cl
Clc1ccc(-c2cc([nH]n2)C(=O)N2CCOCC2)c(Cl)c1
CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
CCN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
OCCN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)c1
OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
CC(C)(C)NC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCCCC2)c(Cl)c1
Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCCC2)c(Cl)cc1Cl
OCCNC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
CC(C)(C)NC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
Fc1cc(-c2cc([nH]n2)C(=O)N2CCOCC2)c(Cl)cc1Cl
COC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
Fc1cc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)cc1Cl
Cc1ccc(cc1)-c1nc(N)nn1-c1ccccc1
COc1ccc(CCc2nc(N)nn2-c2ccccc2)cc1OC
CC(C)Cc1nc(N)nn1-c1ccccc1
CC(C)c1nc(N)nn1-c1ccccc1
Nc1nc(COc2ccccc2)n(n1)-c1ccccc1
COc1ccccc1Cc1nc(N)nn1-c1ccccc1
COc1cccc(Cc2nc(N)nn2-c2ccccc2)c1
CCc1ccc(cc1)-c1ccc(cc1)-c1nc(N)nn1-c1ccccc1
Nc1nc(Cc2cccc(Br)c2)n(n1)-c1ccccc1
Nc1nc(Cc2ccc3ccccc3c2)n(n1)-c1ccccc1
COc1cc(CCc2nc(N)nn2-c2ccccc2)cc(OC)c1OC
COc1ccc(Cc2nc(N)nn2-c2ccccc2)cc1
CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(Cl)cc1
CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(F)cc1
COc1ccc(cc1)-c1n[nH]c2CC(C)(C)CC(=O)c12
CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccc(Br)c1
Cc1[nH]nc2CC(CC(=O)c12)c1ccc(F)cc1
CCN(CC)C(=O)CSc1nnc([nH]1)-c1ccccc1OC
O=C1CC(Cc2[nH]ncc12)c1ccccc1
OCCSc1nnc([nH]1)-c1ccccc1
COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
Cn1ncc2c1ncn1c(nnc21)-c1ccc(Cl)cc1Cl
COc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1
CC1(C)Cc2n[nH]c(Cc3ccccc3)c2C(=O)C1
CCCc1[nH]nc2CC(C)(C)CC(=O)c12
COc1ccccc1-c1nnc(SCc2cccc(Br)c2)[nH]1
COc1ccccc1-c1nnc(SCc2ccc(cc2)C(O)=O)[nH]1
COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
Cn1ncc2c1ncn1c(nnc21)-c1ccccc1
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
COc1ccccc1-c1nnc(SCc2ccccc2F)[nH]1
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)[nH]1
Fc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
Cc1cccc(C)c1OCc1nnc2c3cnn(-c4ccccc4)c3ncn12
Clc1ccccc1-c1nnc2c3cnn(-c4ccccc4)c3ncn12
Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1
COc1ccc(cc1)-c1nc2c3cnn(C)c3ncn2n1
COc1ccc(cc1)-c1[nH]nc2oc(=O)c(CCO)c(C)c12
CCCc1c(C)c2c(C)[nH]nc2oc1=O
COc1ccc(cc1)-c1cc(n[nH]1)-c1ccc2ccccc2c1O
CCCc1nn(C(C)=O)c2CC(C)(C)CC(=O)c12
CC1(C)Cc2n[nH]c(C=Cc3ccccc3)c2C(=O)C1 |w:8.7|
CSc1nnc(NC(=O)c2cc(F)c(F)c(F)c2F)[nH]1
Nc1nnc([nH]1)-c1ccc(Cl)cc1
c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1
Oc1ccccc1-c1nnc([nH]1)-c1ccccc1O
[O-][N+](=O)c1ccc(cc1)-c1nnc([nH]1)-c1ccccc1
Cc1[nH]nc2CC(C)(C)CC(=O)c12
Clc1ccc(-c2n[nH]c(=S)[nH]2)c(Cl)c1
CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccnc1
COc1ccccc1-c1nnc(SC)[nH]1
CCCCCCCCCCSc1nnc(NC(C)=O)[nH]1
Clc1ccccc1-c1nnc([nH]1)-c1ccccc1
CCS(=O)(=O)c1nnc(NC(C)=O)[nH]1
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2ccccc2c1
FC(F)(F)C1(NC(=O)Sc2ccccc2)Oc2ccccc2O1
COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F
COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Br
Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(C)cc1
Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Br)o2)c1
CCc1c(C)scc1C(=O)NNC(=S)NCC1CCCO1
Clc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
O=C(CCc1ccccc1)Nc1nnc[nH]1
COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Cc1ccc(c(C)c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
CC(=O)NNc1ncnc2n(ncc12)-c1ccc(C)cc1
Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
CCCCN(C)C(=O)NC1(Oc2ccccc2O1)C(F)(F)F
FC(F)(F)C1(NC(=O)c2ccc(Cl)cc2)Oc2ccccc2O1
FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2cc(Cl)c(Cl)cc2O1
ClC(Cl)(Cl)C1(NC(=O)OCN2C(=O)C3C=CC=CC3C2=O)Oc2ccccc2O1 |c:14,16|
NC1(Oc2cc(Cl)c(Cl)cc2O1)C(Cl)(Cl)Cl
C(Cn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12)N1CCCCC1
CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
[O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
Cc1cc(=O)n([nH]1)-c1nc(C)cc(=O)[nH]1
CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Cn1cc(Br)c(n1)C(=O)NNC(=O)c1cccc(Br)c1
CCNC(=S)NNC(=S)NCc1ccccc1
CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl
CCNC(=S)NNC(=O)c1cc(nc2ccccc12)C1CC1
Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(C)cc2)c1Cl
Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Cc1cc(C)c2c(n1)nc(SCC(=O)c1ccc(O)c(O)c1)[nH]c2=O
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccncc1
Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccco1
Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Cc1cccc(c1)-c1nc2CCCCc2c(SCC(=O)c2ccc(O)c(O)c2)n1
Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
COc1ccc(cc1OC)C(=O)CSc1nc2cc(C)c(C)cc2[nH]1
CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2s1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2o1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2[nH]1
Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3OCOc3c2)n1
CCc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
Nc1nnc(s1)-c1cc2ccccc2oc1=O
FC(F)(F)C1(NC(=O)N2CCCC2)Oc2ccccc2O1
CC1(C)Oc2ccc(cc2O1)[N+]([O-])=O
CC(C)(C)OC(=O)NC1(Oc2ccccc2O1)C(Cl)(Cl)Cl
CC(C)(C)C1(C)Oc2cccc(O)c2O1
CCOC(=O)NC1(Oc2ccc(Cl)cc2O1)C(Cl)(Cl)Cl
Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(c1N)-c1ccccc1
Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12 |w:8.8|
CCN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
[O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
O=C1N(Cc2ccccc2)c2ccccc2C11NNc2ccccc2O1
CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Nc1ccc2OC3(CCCC3)Oc2c1
CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
CC(C)NCC(=O)c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)CNC1CCCCC1
Cc1cc(C)nc(SCC(=O)c2ccc3OCOc3c2)n1
COc1cc(ccc1O)C(=O)CSc1nc(C)cc(C)n1
Cc1nc(Br)cn1CC(=O)c1ccc(O)c(O)c1
Oc1ccc(cc1O)C(=O)Cn1cnc(Br)c1
Oc1ccc(cc1O)C(=O)Cn1ccnc1-c1ccccc1
Oc1ccc(cc1O)C(=O)CNc1nc2ccccc2[nH]1
Oc1ccc(cc1O)C(=O)Cn1cnnc1
Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C
Cc1cn(CC(=O)c2ccc(O)c(O)c2)cn1
Oc1ccc(cc1O)C(=O)CN1CCCc2ccccc12
Oc1ccc(cc1O)C(=O)Cn1cnnn1
Oc1ccc(cc1O)C(=O)CN1CCCCC1
Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1
COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1
CCOc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1Cc1ccco1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C
COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Cc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(C)cc1
COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1C
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O
Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:9|
COc1ccc(cc1)-c1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2n1
CCCCN1C(=O)C(=NNc2ccccc2)c2ccccc12 |w:8.8|
CCCCN1C(=O)C(=NNc2ccccc2F)c2ccccc12 |w:8.8|
CCCCN1C(=O)C(=NNc2ccccc2OC)c2ccccc12 |w:8.8|
CCCCN1C(=O)C(=NNc2ccccc2C(F)(F)F)c2ccccc12 |w:8.8|
CCCCN1C(=O)C(=NNc2ccccc2C)c2ccccc12 |w:8.8|
CCCCN1C(=O)C(=NNc2ccccc2Cl)c2ccccc12 |w:8.8|
Cc1cc(C)nc(NCc2ccc(O)c(O)c2)n1
Cc1cc(NCC(=O)c2ccc(O)c(O)c2)[nH]n1
Cn1c(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc12
Cn1ccnc1SCC(=O)c1ccc(O)c(O)c1
Cc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)n1
CCN(CC)c1ccc(cc1)C(=O)CSc1nc(C)cc(C)n1
Cc1cc(C)nc(SCC(=O)c2cccc(O)c2)n1
Cc1cc(oc1C)C(=O)NCc1ccc(O)c(O)c1
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)o1
Cc1cc(oc1C)C(=O)NCCc1ccc(O)c(O)c1
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1
Oc1ccc(CCNC(=O)C2CCCO2)cc1O
CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
Oc1ccc(cc1O)-c1cn2CCSc2n1
CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O)C(O)=O
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|
COc1cccc(c1)C(C)NC(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
[O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)o1
Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1 |w:4.3,c:8|
Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
NNC(=O)c1cc(O)c(O)c(O)c1
Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
[H]C12CCCC([H])(CC(C1)NC(=S)NCc1ccccc1)N2Cc1ccc(C)cc1
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1
CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O |w:6.6|
CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
OCCC(=O)c1ccc(O)cc1
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O
OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Nc1cc2nc3ccccc3oc2cc1=O
CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
C[N+](C)(C)C(Cc1ccccc1)C([O-])=O
COc1cc(ccc1O)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
c1cc(c(cc1CC(=O)O)O)O
Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|
Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
CCOC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc12
OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|
Oc1ccc(cc1O)C(=O)CN1CCN(CC1)c1ccccc1F
Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1 |w:7.6|
Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1 |w:18.18|
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1
Cc1c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cnn1C
CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 |c:5,10|
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10|
Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
S=C(NCc1ccccc1)NC1CCSc2ccccc12
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
c1cc2c(cc1O)OC(=O)S2
CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
[O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
[H][C@@]12[C@@H](O)[C@@]3([H])[C@]4([H])[C@H](O)[C@@]([H])(C(=O)C5=C(O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(O)=C1C2=O |wU:1.0,wD:2.2,8.8,6.6,4.4,28.28,29.34,10.10,c:14,48,TLB:9:8:4.29:28.14.12,30:29:6.28:2,26:28:2:29.43.44,41:43:6.28:2,THB:10:29:6.28:2,8:6:2:29.43.44,45:44:6.28:2,14:28:2:29.43.44,(10.29,-2.42,;9.31,-1.56,;9.97,-.18,;11.5,-.06,;9.1,1.08,;7.86,.67,;8.62,-.39,;9.63,.45,;7.08,-.39,;6.92,-1.92,;6.61,1.08,;5.36,1.48,;5.66,-.12,;4.14,.08,;6.26,-1.52,;5.33,-2.8,;3.8,-2.65,;5.98,-4.25,;5.15,-5.49,;3.62,-5.38,;5.79,-6.84,;7.28,-6.97,;7.92,-8.37,;8.16,-5.76,;9.69,-5.93,;7.56,-4.39,;8.47,-3.09,;9.74,-3.96,;7.78,-1.66,;7.85,1.98,;9.19,2.75,;10.52,1.98,;9.19,4.29,;10.59,5.07,;11.91,4.29,;10.6,6.67,;11.94,7.44,;9.21,7.48,;7.83,6.66,;6.49,7.42,;7.85,5.06,;6.52,4.29,;5.19,5.06,;6.52,2.75,;6.67,-.21,;5.38,-1.04,)|
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1 |w:11.11|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(C)c1)N2Cc1ccc(OC)cc1
O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N1CCCCC1
Cc1cccnc1Nc1nc(cs1)-c1ccc(O)c(O)c1
CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Clc1ccc(NC(=O)NC2CCCCC2Cc2ccco2)cc1
CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
[H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1
Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Clc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
CC1NON=C1C(=O)NN=CC1=CC(=O)C(=O)C=C1 |w:9.9,c:4,18,t:12|
CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2ccccc2)c1
CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2cccc(OC)c2)c1
Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
Oc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)c(O)c1
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:11.12|
[H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(F)c1)N2Cc1ccc(C)cc1
NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
Cc1ccc(NC(N)=Nc2nc(C)cc(n2)N2CCCCC2)c(C)c1 |w:8.8|
Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
Oc1ccc(cc1-c1ccc(\C=C2/C(=O)NN(C2=O)c2cccc(Br)c2)o1)[N+]([O-])=O
NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O
FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1
CN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:12.13,1.0|
Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
COc1cc(OC)c2C(=O)CC(Oc2c1O)c1ccccc1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NNC1=c2ccccc2=NC1=O |c:16,23|
Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Oc1ccc(CCN2C(=O)CNC2=S)cc1O
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-c3cc(-[#8])c(-[#8])cc3-c2c1-[#8]
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cccc(c3O)[N+]([O-])=O)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
CC(C)(C)c1ccc(O)c(c1)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
OC(=O)CNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
Oc1cc(cc(O)c1O)C(=O)NN=Cc1cccnc1
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Cc1nn(CC=C)cc1CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Clc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
CCn1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c(C)n1
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1
COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
CCCn1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
FC(F)Oc1ccc(NC(=S)NC2CCSc3ccccc23)cc1
Cc1ccc(CNC(=S)NC2CCC(CC2)C(C)(C)C)cc1 |(4.41,-8.47,;4.41,-6.93,;3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,6.93,;7.08,8.47,;8.62,6.93,;5.54,6.93,;5.75,-4.62,;5.75,-6.16,)|
COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
COc1cc(C=NNC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1
Cc1cc(Cn2nc(cc2C(=O)NCc2cccc(c2)C(F)(F)F)-c2ccccc2)on1
CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
Cc1cc(O)c(Sc2nnc[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1
CCCCCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccncc1
COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
Oc1ccc(cc1O)C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c2c2CCCCCn12
[O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1
Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
CCc1cc(Cn2nc(cc2C(=O)NCc2cccc(Br)c2)-c2ccccc2)on1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
[O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccccc2)s1
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1
O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
c1ccc(nc1)-c1cccc(n1)-c1ccccn1
CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1 |w:7.7|
Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O |w:13.15|
Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|
O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O |w:10.10|
CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1 |w:8.8|
CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O |w:3.2|
Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O |w:15.16|
CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1 |w:8.8|
COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|
COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1 |w:15.14|
CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O |w:7.7,14.13|
Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1 |w:9.9|
Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:15.16|
COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O |w:14.15|
COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1 |w:9.10|
CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1 |(3.08,-2.31,;4.41,-3.08,;5.75,-2.31,;5.75,-.77,;4.41,,;7.08,,;7.08,1.54,;5.75,2.31,;5.75,3.85,;7.08,4.62,;8.41,3.85,;8.41,2.31,;7.08,6.16,;7.08,7.7,;8.62,6.16,;5.54,6.16,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;5.75,-6.93,;5.75,-5.39,)|
Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1 |w:10.10|
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
[#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]
CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|
Oc1ccccc1\C=C\C(=O)c1ccco1
CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |w:3.3|
CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
OC(=O)CCCCCP(O)(O)=O
CCCP(O)(O)=O
CP(=O)(O)O
OC(=O)CCCCCP(O)(O)=S
OP(O)(=S)CSc1ccccc1
OP(O)(=S)Cc1ccccc1
COC(=O)CCCCCP(O)(O)=S
CSCP(O)(O)=S
CCCCP(O)(O)=S
OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
CP(O)(O)=S
OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
c1ccc(cc1)CP(=O)(O)O
Oc1ccc2nc(O)cc(C(=O)Nc3nc4ccccc4s3)c2c1
COc1cc2c(cc(O)nc2cc1Cl)C(=O)Nc1nc2ccccc2s1
Cc1cc2nc(O)cc(C(=O)Nc3nc4ccccc4s3)c2cc1C
Cc1cc2c(cc(O)nc2cc1Cl)C(=O)Nc1nc2ccccc2s1
OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O
CCCCc1cc2c(O)cc(nc2c2c(O)cc(nc12)C(O)=O)C(O)=O
COc1ccc2nc3ccc(cn3c(=O)c2c1)C(O)=O
OC(=O)C1=CN2CC3=C(CCCC3)N=C2C=C1 |c:14,17,t:3,7|
COc1cc2nc3ccc(cn3c(=O)c2cc1OC)C(O)=O
O=c1c2cc3ccccc3cc2nc2ccc(cn12)-c1nnn[nH]1
OC(=O)c1ccc2nc3cc(O)c(O)cc3c(=O)n2c1
Cc1ccc2nc3ccc(cn3c(=O)c2c1)C(O)=O
Cc1ccc2nc3ccc(cn3c(=O)c2c1)-c1nnn[nH]1
OC(=O)c1ccc2nccc(=O)n2c1
CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
OC(=O)c1ccc2nc3cc4ccccc4cc3c(=O)n2c1
OC(=O)c1ccc2nc3ccc(O)cc3c(=O)n2c1
O=c1c2cc3OCOc3cc2nc2ccc(cn12)-c1nnn[nH]1
OC(=O)c1ccc2nc3ccccc3c(=O)n2c1
OC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
COc1ccc2c(c1)nc1ccc(cn1c2=O)-c1nnn[nH]1
O=c1c2ccccc2nc2ccc(cn12)-c1nnn[nH]1
OC(=O)c1cccn2c1nc1ccccc1c2=O
COc1ccc2nc3ccc(cn3c(=O)c2c1)-c1nnn[nH]1
COc1cc2nc3ccc(cn3c(=O)c2cc1OC)-c1nnn[nH]1
OC(=O)c1ccn2c(c1)nc1ccccc1c2=O
Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1