536 SMILES Strings for Eukaryotic translation initiation factor 4 gamma 1

Compound Name
SMILES String
COc1ccc(CCNC(=O)Cn2cnc3n(ncc3c2=O)-c2ccccc2Cl)cc1OC
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc12
Oc1ccc(Cl)cc1CN1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1
Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
COc1cc2cc(C(N(C)C3CCCCC3)c3nnnn3C3CCCC3)c(=O)[nH]c2cc1OC
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
Nc1nnc(CC(=O)N2CCCCC2)s1
CC1=CC(=O)NP(=O)(N1)Oc1ccc2ccccc2c1 |t:1|
CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1
Cc1nnc(=O)[nH]c1NCc1ccco1
CCc1ccc(cc1)C(=O)CSc1nnc[nH]1
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1
Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCC1CCCO1)C1CCCC1
CCNCC(O)COCC(O)CNCC
OC(=O)C1CC(=NO1)c1ccccc1F |c:5|
CCOc1ccccc1NC(=O)N1CCC(CC1)NC(=O)c1cccc(C)c1
COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1
COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
CCc1nnc(NC(=O)Cn2nc(ccc2=O)-c2ccccc2OC)s1
OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
OC(=O)CSc1ccccn1
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccc(OC)c1
O=C(NC1CCCCC1)C1CCN(CC1)c1cnccn1
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
O=c1n([se]c2ccccc12)-c1ccccc1
CC(=O)OC1=C(Cn2ccc3cccc1c23)C#N |t:4|
COC(=O)n1c2ccc(Cl)cc2oc1=S
Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Cc1nc(n(n1)-c1ccccc1)C(C)(C)O
CCOc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
COC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1C
Cc1ccc(cc1)-n1c(N)c(sc1=S)C(N)=O
Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccnc1
Fc1ccc(NC(=O)CN=O)cc1
c1ccc(cc1)-n1nnc2cnccc12
CC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:2.2|
CC(C)(C)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:4|
CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(C)cc1
Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCCC1
CCCCOCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
CC1(C)c2ccccc2N2CC(=O)NC12\C=C\c1ccco1
COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
CC1(C)Cc2c(CO1)sc1nc(NCCN3CCOCC3)n3ncnc3c21
Cc1nn2c(cc(C)nc2c1-c1ccccc1)N1CCOCC1
O=C1NC(Oc2ccccc12)c1ccc2OCOc2c1
COc1ccc2ccccc2c1C1CC(=O)N2CN(C)CSC2=C1C#N |c:25|
COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
COCC(C)n1c(SCc2ccc(o2)C(=O)OC)nc2ccccc2c1=O
CN(C)c1ccc2c(c1)N=C(OP2(=S)N1CCOCC1)c1ccco1 |c:10|
CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
Cc1cccc(Nc2nnc(S)s2)c1C
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
Cc1cnc(NC(=O)c2ccc(o2)-c2nc3ccccc3s2)s1
Oc1ccc(-c2n[nH]cc2-c2cccc3cccnc23)c(O)c1
Brc1ccc(cc1)C(=O)OCC1CC(=NO1)c1ccccn1 |c:14|
NC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
O=C(N1CC(=O)Nc2ccccc12)c1cccs1
Cc1c(NS(=O)(=O)c2ccc(C)c(c2)C(=O)NCc2ccccn2)c(=O)n(-c2ccccc2)n1C
CCCN1CCN(CC1)C(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O
CCCOC(=O)c1ccc(OCC(O)CN2CCN(CC2)C(=O)c2ccccc2)cc1
C1CN(CCO1)Sc1nc2ccccc2[nH]1
O=C(NC1CCCCCCC1)C1CCN(CC1)S(=O)(=O)N1CCCC1
Brc1cccc(c1)C1CC(c2ccccc2)n2nnnc2N1
Oc1cc(nc2ccccc12)-c1ccccc1
O=C(CCS(=O)(=O)c1cccs1)N1CCCC1
CCSc1ccc2nnc(-c3cccc(F)c3)n2n1
FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCN1CCOCC1)c1ccccc1
c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O
Brc1ccc(cc1)C1C2C(=O)CCCC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:16|
OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1C(O)=O
COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
COC(=O)Sc1nnc(o1)-c1ccc(Br)cc1
CC(C)c1cc(no1)C(=O)Nc1cccc(Cl)c1
Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)|
COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O
CC(C)(C)c1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)c2ccco2)cc1
C=CCn1c(n[nH]c1=S)-c1ccoc1
CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(C)C1=O |t:13|
CN(C)C=Nc1nc(nc(C)c1C(C)=O)-c1ccc(Cl)cc1 |w:4.4|
OC1C(Sc2ccccc2NC1=O)c1ccccc1
Clc1ccc2nc3c(cccn3c(=O)c2c1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Cc1oc(nc1CN1CCC(CC1)C(=O)NCc1ccco1)-c1ccc(Cl)cc1
Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
COc1ccc(cc1F)C1=CSC2=NCCN12 |t:10,13|
O=c1n2CCCc2nc2ccccc12
COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
OCCN1CCN(CC1)C(c1cccs1)c1ccc2cccnc2c1O
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
CCOC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
CCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O
CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1
COC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccc2OCOc2c1
N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O
[H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)Nc2ccccn2)C1=O |c:5,TLB:23:7:2:6.5,THB:9:8:2:6.5|
CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
O=C1N(Cc2nc3ccccc3c(=O)n2-c2ccccn2)C(=O)c2ccccc12
C(c1nnc2sc(nn12)-c1cccs1)n1cnc2ccccc12
CN(C)c1nc(Nc2ccc(C)cc2)nc(Oc2ccc(=O)[nH]n2)n1
O=C(NC1CCCCCCC1)c1ccc2OCOc2c1
CCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)C(=O)c1ccco1
CSc1nsc(SCC(=O)N2CCc3ccccc23)n1
O=C(CC1CCCCC1)NCC1CCCO1
Clc1ccccc1CSCc1n[nH]c(=O)[nH]1
O=C(CSc1ncn(n1)-c1ccccc1)N1CCc2ccccc12
CC1CCN(CC1)C(=S)c1ccccc1O
COc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccccc2)cc1OC
CCOc1ccccc1OCc1nn2c(COc3ccccc3)nnc2s1
Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
O=C1CC(=O)N(Cc2ccco2)C(=O)N1
COc1ccc(-c2nc(no2)-c2ccc(Br)cc2)c(OC)c1
Clc1ccc(OCCCn2cncn2)cc1Cl
COC(=O)C1=C(C)NC(=O)C1(Nc1ccc(Cl)cn1)C(F)(F)F |c:4|
c1ccc(c(c1)C(=O)NCCc2ccncc2)F
Clc1ccc(Cl)c(c1)-c1nn2c(COc3ccccc3)nnc2s1
CCn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1-c1cccs1
Oc1cccc(c1)\N=C1/SCC(=O)N1CC=C
Fc1cccc(Cl)c1CC(=O)NCCCN1CCCC1=O
COc1ccccc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1Cl
COc1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
COc1ccccc1-c1noc(n1)-c1ccccc1
COc1ccc(cc1OC)-c1noc(CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)n1
COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1CC=C
[H]C12CC([H])(C=C1)C1C2C(=O)N(CCCCN2C(=O)C3C(C2=O)C2([H])CC3([H])C=C2)C1=O |c:5,32,TLB:9:8:2:6.5,17:19:25:28.29,THB:30:7:2:6.5,21:20:25:28.29|
Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:14|
COc1cccc(NC(=O)COc2ccc(cc2)N2CC(CC2=O)C(=O)NCC(C)C)c1
COCCSc1ccccc1C(=O)Nc1cc(C)on1
Cc1ccccc1CSc1nncn1N
Nc1nnc(SCc2ccccc2Cl)s1
CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N
OC1N(Cc2ccccc2Cl)C(=O)c2ccccc12
COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC1)c1c(C)cccc1C
CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCc1cccs1
OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
CCOc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
CC1CCc2nn(CC(=O)N3CCCCCC3)cc2C1
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)n(n1)-c1ccccc1
CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)COc1ccccc1
COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc(F)c1
CC(=O)Nc1c(nc2ncccn12)-c1ccccc1
Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C
CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
Cc1ccc(cc1)N1C(=O)c2ccccc2C1(O)c1ncc[nH]1
Brc1ccc(o1)C(=O)Nc1cccc2ccccc12
Fc1c(F)c(c(F)c(F)c1N1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F)C(F)(F)F
O=C(Nc1cccnc1)c1cc2c(ccc3ccccc23)o1
[H]C12CC(C)(CN1C(=O)COc1ccc(OC)cc1)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
Nc1ccccc1-c1nnc(SCc2ccccc2F)[nH]c1=O
COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O
CCOc1cccc(OCCCCn2ccnc2)c1
COc1ccc(CN2CCN(CC2)C(=O)CC(C)C)c(OC)c1OC
CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12
CCOc1cc(ccc1O)C(=S)N1CCOCC1
C=CCn1c(n[nH]c1=S)-c1ccco1
Cc1cc(C)n2nc(cc2n1)C(=O)NCc1ccccc1
Nc1c(sc(=S)n1-c1ccccc1)C(=O)NCc1cccnc1
CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C(C)C)C(=O)NC1=NCCS1 |t:26,TLB:5:3:11:6.9.8,8:6:12:1.11.2,THB:5:6:11:3.12.2|
COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c(OC)c1
CCc1c(C)sc(NC(=O)C2CCCCC2C(O)=O)c1C(N)=O
O=S(=O)(N1CCN(CC1)c1ccccc1)c1ccc2OCCOc2c1
CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
OC(=O)CCCCC1CCSS1
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1
CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
COc1ccc(cc1)\N=c1\ssnc1Cl
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13|
CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Nc1ccc(cc1)N(c1ccccc1)c1ccc(N)cc1
CCCCCC(=O)NC(NC(=S)NC1CCS(=O)(=O)C1)C(Cl)(Cl)Cl
CCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O
Cc1ccc(cc1)C(=O)CSc1ncnc2sc3CCCCc3c12
Oc1cc(N2CCN(Cc3ccc4OCOc4c3)CC2)c(O)n1-c1cccc(Cl)c1
CN1CCN(CC1)C1=CC(=O)OC11CCCCC1 |t:8|
COc1ccc(cc1)N=C1NCC(=O)N1Cc1cccs1 |w:8.8|
CC(C)c1ccc(CN2CCC(CC2)C(=O)NCc2cccnc2)cc1
Clc1nss\c1=N\c1ccc(Cl)cc1
CCN(CC)S(=O)(=O)c1cc(F)ccc1OC
Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1
C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(I)c2NCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O
Cc1cc(nc(NCc2ccccc2)n1)N1CCCCC1
Clc1cc(Cl)cc(NC=C2C(=O)CC(CC2=O)c2ccco2)c1 |(8.41,-6.89,;7.08,-6.12,;5.75,-6.89,;4.41,-6.12,;3.08,-6.89,;4.41,-4.58,;5.75,-3.81,;5.75,-2.27,;7.08,-1.5,;7.08,.04,;8.41,.81,;9.75,.04,;8.41,2.35,;7.08,3.12,;5.75,2.35,;5.75,.81,;4.41,.04,;7.85,4.45,;7.22,5.86,;8.37,6.89,;9.7,6.12,;9.38,4.61,;7.08,-4.58,)|
CC(C)CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
CCn1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1
Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C(Cc1ccccc1)n1cccc1
Clc1ccccc1CNC(=O)CCS(=O)(=O)c1cccc2nsnc12
Nc1cc(=O)nc(SCC(=O)Nc2cccc3ccccc23)n1CC=C
[H]C12CC(C)(Oc3ccccc13)N(C)C(O)=C2C(=O)\C=C\c1ccc(C)cc1 |c:17,TLB:13:12:2:5.11.6,THB:10:11:2:12.16.14,17:16:2:5.11.6|
Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc(C)cc1
OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
CC(C)Cc1cc(no1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Cc1[nH]c2ccc(cc2c1C)-c1n[nH]c(=S)n1CC=C
CC(=O)Oc1ccc2c(OC(CC22CC(C)(C)NC(=S)N2)c2ccccc2)c1
Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1c(OC(=O)c2ccc(cc2)[N+]([O-])=O)c2COC(C)(C)OCc2c[n+]1C
CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Cc1ccc(cc1)\N=c1\ssnc1Cl
COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
CC(NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C)c1ccccc1
CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
CC(=O)Nc1ccc(N2CCCCC2)c(c1)C(=O)Nc1cccc(C)c1
O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
COc1ccc(C=Nn2cnc3c4cc(Br)ccc4[nH]c3c2=O)cc1CN1CCOCC1 |w:7.7|
Fc1ccc(cc1)N=Nc1c(CSc2ccccn2)[nH]n(-c2ccccc2)c1=O |w:8.9|
CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
COc1ccc2nc(NC(=S)N(C)C)sc2c1
CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1
Cc1ccc(OCc2nnc([nH]2)-c2ccccn2)cc1
O=C(NCc1ccc2OCOc2c1)c1ccc2OCCOc2c1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cccc(C(O)=O)c3C)C2=O)cc1C
c1ccc2[nH]c(nc2c1)-c1cc[nH+]c2ccccc12
Cc1cc(N)ccc1N1CCCC1
CC1(NC(=O)NC1=O)C1CC1
CCOC(=O)N1CCN(CC1)C(c1cccnc1)c1ccc2cccnc2c1O
CCOC(=O)c1ccc2n(CC)c(SCC(=O)c3cc4ccccc4o3)nc2c1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1C
COc1ccccc1CN1CCN(CC1)C(=O)c1ccncc1
[O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
COc1ccc(cc1OC)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(C)cc1
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1
COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
COC(=O)c1ccc(CSc2nnc(S)s2)o1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
Oc1c(ccc2cccnc12)C(N1CCN(CC1)c1ccccc1)c1cccs1
CN(C)c1ccc(cc1)\N=c1/sc2ccccc2n1C
OC(=O)c1ccccc1C(=O)Nc1nccs1
O=c1[nH]c2ccccc2n2c(nnc12)-c1ccccc1
O=c1n(sc2ccccc12)-c1ccccc1
Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
CCCCCCCCCC(=O)NN=Cc1ccc(C)s1 |w:12.11|
CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccc(Cl)cc23)cc1
Cc1ccc(cc1-c1ccc2cccc(C)c2n1)[N+]([O-])=O
CC(C)OC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc(cc1C)C(F)(F)F
CC1=C(C#N)C(=O)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C |c:1|
Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
COc1ccc(NC(C)C(=O)Nc2ccc(cc2)C#N)cc1Cl
Clc1c(Cl)c2nnc(-c3ccc(Br)cc3)n2c(Cl)c1C#N
Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(C)cc1 |w:5.4|
CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
Cc1cccc(n1)-n1cnc(c1)C(=O)NC1CCCCCC1
Cc1cc(C)cc(NC(=O)c2ccccc2CC[N+]([O-])=O)c1
COc1ccc(C=Nn2c(n[nH]c2=S)-c2cccs2)cc1 |w:7.7|
Clc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
CC(NC(=O)c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)c1ccccc1
ClC1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1Cl
NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1
COc1cc(C=NNC(=O)C2c3ccccc3Oc3ccccc23)ccc1O |w:6.6|
CON=CC(C#N)c1ncc(cc1Cl)C(F)(F)F |w:2.1|
CN1CCN(CC1)C(=O)Nc1ccc2OCCOc2c1
Clc1cccc(c1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-c1ccc(Br)o1
Cc1ccccc1NC(=O)Cn1nnc2n(ncc2c1=O)-c1ccc(F)cc1
COc1ccccc1\C=C\C(=O)c1c2CCCCc2c(C)[nH]c1=O
CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2nc3CCCCc3cc2c1=O
Cc1ccc(SCc2cc(=O)[nH]c(NC(N)=Nc3ccc(C)c(C)c3)n2)cc1 |w:16.16|
Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)c(Cl)c1 |w:6.6|
Brc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)s1 |w:6.6|
Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:7.8|
[#6]-[#6](-[#6])-[#6]-[#7](-[#6]-[#6](-[#6])-[#6])-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|
Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(c1)[N+]([O-])=O
NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]n2c(n[nH]c2=S)-c2ccccc2)o1
O=C(NN=Cc1c[nH]c2ccccc12)C1COc2ccccc2O1 |w:3.2|
CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)scc1-c1cccc(c1)[N+]([O-])=O
CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12
Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Cc1ccc(cc1)-n1sc2ccccc2c1=O
COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccc(F)cc2)cc1 |t:8|
Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC=C)cc1
CCCCOC(=O)Nc1nnc(SCCOc2ccc(C)cc2)s1
Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
O=C(CSc1ccccc1)Nc1ccccc1-c1ccccc1
COc1cc(CNc2ccc(cc2)N2CCCC2)ccc1OCc1ccccc1F
Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
COc1ccc(OC)c(c1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(6.68,5.12,;6.68,3.58,;8.01,2.81,;9.34,3.58,;10.68,2.81,;10.68,1.27,;12.01,.5,;13.35,1.27,;9.34,.5,;8.01,1.27,;9.34,-1.04,;10.68,-1.81,;12.06,-.99,;13.45,-1.78,;14.78,-1.01,;13.45,-3.39,;14.78,-4.16,;12.06,-4.18,;10.68,-3.35,;9.34,-4.12,;8.01,-3.35,;6.63,-4.18,;5.24,-3.39,;3.91,-4.16,;5.24,-1.78,;3.91,-1.01,;6.63,-.99,;8.01,-1.81,)|
CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Clc1c(sc2cc(Cl)ccc12)C(=O)NN=Cc1ccc2OCOc2c1 |w:14.15|
Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
COc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1
COc1ccc(cc1)[C@H]1[C@@H](N2N=Cc3ccccc3C2C11C(=O)OC(C)(C)OC1=O)C(C)=O |c:12|
CC(C)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1
ClC(Cl)(Cl)C(NC(=O)c1ccccc1)Sc1ccncn1
CN1c2ccccc2N(C)C1(C)c1ccccc1
Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
CCN1c2ccccc2N(C)C1(C)c1ccccc1
Cc1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)c(C)n1-c1ccccc1
[O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Cc1ccc(CNC(=O)c2ccc(N3CCc4ccccc34)c(c2)[N+]([O-])=O)cc1
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC
Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
C\C(C=NNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)=C/c1ccccc1 |w:3.3|
COc1ccc(O)c(\C=C(/C#N)C(=O)Nc2cccnc2)c1
CC(=O)C1=C(OC(=N)C(C#N)C1c1ccc(O)cc1)c1ccccc1 |t:3|
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Oc1cccc(c1)C(=O)OCC(=O)c1c[nH]c2ccccc12
FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3ccccc3)c2c1
CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
CCOC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
C[N+](C)(C)c1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 |w:9.8|
COc1ccc2nc(sc2c1)N1C(=S)NC(C1=O)=C1C(=O)Nc2ccccc12 |w:18.30|
N#Cc1ccc(cc1)-c1csc(NC2=NCCCCC2)n1 |t:14|
Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
O=C(Nc1cccc(c1)-c1nc2cccnc2s1)C1c2ccccc2Oc2ccccc12
COc1cc(cc(OC)c1OC)C(=O)NNC(=O)C1CC=CCC1C(O)=O |c:21|
Cc1cccc(c1)-c1nnc(SCC2CNC(=O)O2)n1-c1ccc(Cl)cc1
COc1ccc(NC(=S)NC2CCS(=O)(=O)C2)cc1
COC(=O)\C=C\C(=O)N1CCN(CC1)c1ccccc1C
CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
Brc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1
CC(C)C1CCC(C)CC1OC(=O)COC(=O)c1ccc(N)cc1
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
[#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
[#6]-[#8]-c1ccccc1-[#7]S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(c1)-[#7+](-[#8-])=O
COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1OC
COc1ccc(OC)c(Nc2ncnc3sc(cc23)-c2ccccc2)c1
CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3CCCc3s2)cc1
CCn1cc(C(=O)OCC(=O)c2cc(C)n(c2C)-c2ccc(OC(F)F)cc2)c(=O)c2ccc(C)nc12
Brc1ccc(cc1)-c1cc(C(=O)NN2CCOCC2)c2ccccc2n1
Cc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccccc1Cl
OC(=O)CCSc1nnc(SCC(=O)NCC(F)(F)F)s1
CC(N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1
CCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(C)c1ccccc1
CC(=O)C1=C(C)N=C(SCc2ccc(cc2)C#N)C(C#N)C1c1ccco1 |c:3,t:6|
Fc1ccc(CSc2nnc(NC(=O)c3ccc4ncsc4c3)s2)cc1
COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
Cc1ccc(Oc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
CCN(CC)c1ccc(cc1)N=Cc1c(C)[nH]c2ccccc12 |w:11.11|
Cn1c(nc2ccccc12)C(C)(O)C(O)c1ccccc1
CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
CNCc1ccccc1Sc1cc(O)ccc1O
CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N
COc1ccc(cc1OC)-c1c(C)nn2c(N)c(cnc12)C#N
CCCCCCCCCCCCCCCCn1cc[n+](CC(C)=O)c1
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C |w:14.16|
Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
[#6]C([#6])([#6])[#7]-[#6](=O)-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
COc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1
Cc1c(nn(-c2ccc(Cl)cc2)c(=O)c1C#N)C(=O)N1CCCCC1
CSc1cccc(NC(=S)N(Cc2ccc(C)cc2)Cc2cccnc2)c1
Oc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc32)c(O)c1
CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O |w:15.16|
COc1ccc(cc1)C(=O)OCC[N+]1(C)CCOCC1
Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|
COC(CNC(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)OC
CCN1CCN(CCNC(=O)c2ccc3S\C(=C/c4ccccc4)C(=O)N(Cc4ccc(F)cc4)c3c2)CC1
NC1=NC(=O)C(S1)=Cc1ccsc1 |w:7.8,t:1|
COc1cc(cc(OC)c1OC)-c1n[nH]cc1CN1CCN(Cc2cccs2)CC1
CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
NC(NC(=O)c1ccccc1)=NCc1ccc2OCOc2c1 |w:11.12|
CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2s1
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2n1CCc1ccccc1
O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccccc1-n1sc2cc(F)ccc2c1=O
CCc1ccc(cc1)C(=O)NNC(=O)OC
CC1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2)c1=O
OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
CSc1ccccc1NC(=O)c1ccccc1C
COc1ccc(cc1OC)C1N(CCc2cc(OC)c(OC)cc12)S(C)(=O)=O
NC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)\C=C\c2ccccc2)c1
COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
Fc1ccc(cc1)C1CCCN1Cc1nc(Cc2ccccc2)no1
Cn1cccc1-c1cc([nH]n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
Clc1c(cn[nH]c1=O)N1CCCC1
CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1
O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
COc1cccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)c1
CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
O=C1NC(=S)N(Cc2ccco2)C(=O)\C1=C/c1cccs1
COCc1c(N)c(C)nc(Cl)c1C#N
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1
Oc1c(cc(CN2CCOCC2)c2cccnc12)[N+]([O-])=O
OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(c1)[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O
COc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1
COc1ccc(cc1)-c1nc(SCC=C)n(CC=C)c(=O)c1C#N
Cc1ccc(C)c(NC(=S)NCCN(C2CCCC2)C2CCCCC2)c1
Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCC1
CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
O=C(Nc1nnc(SCc2ccc(cc2)C#N)s1)c1ccc2ncsc2c1
OC(=O)c1cccc(c1)-c1ccc(\C=C2\N=C(OC2=O)c2cccs2)o1 |c:16|
OC(=O)CSc1nnc(COc2cccc3cccnc23)n1-c1cccc(c1)C(F)(F)F
Clc1cccc(NC(=S)N2CCC3(CC2)OCCO3)c1Cl
Clc1ccc(-c2ccc(o2)C(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)c1
Clc1ccc(CC(=O)OCc2nnc(o2)-c2ccccc2)cc1
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1
CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
Fc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1
Oc1ccccc1C(=O)\C=C\c1ccco1
CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O
COc1cc(ccc1O)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccccn1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(O)c(c3)[N+]([O-])=O)C2=O)cc1C
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cccc(c3)C(O)=O)C2=O)cc1
O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1
COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
Cc1ccc(cc1NC(=O)Cc1cccs1)[N+]([O-])=O
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)o1
Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
Oc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.22,t:6|
Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(cc1)C(O)=O |w:5.4|
CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1
COc1ccc(CC(=O)Nc2nnc(s2)C(C)C)cc1
OCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CC1=CC2=NC(=O)CC(C)(N2C=C1)C(=O)N(CC(=O)NC1CCCC1)c1cc(C)cc(C)c1 |c:12,t:1,3|
O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
COCC(=O)Oc1c(Sc2ccccc2[N+]([O-])=O)c(C)nn1C(C)(C)C
CCN(CC)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1
CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(=O)NC(=S)N1CCCC1 |TLB:13:10:2:6.8.5,13:10:8:3.2.5,7:6:2:10.11.12,12:10:8:3.2.5,THB:12:3:8:10.11.9,9:10:2:6.8.5,4:3:8:10.11.9|
Clc1nss\c1=N\c1ccccc1
Clc1nss\c1=N/c1ccc(Br)cc1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
Cc1ccc(CN(Cc2ccccc2)C(=S)NCC(=O)N2CCC3(CC2)OCCO3)o1
CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1
COc1ccc(cc1)N1CCN(CC1)C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O
CC1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
Cc1ccc(CNC(=O)c2ccc(cc2)-n2cccc2)cc1
Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccccc1F |c:11,17,(7.82,-3.33,;8.44,-1.92,;9.95,-1.6,;10.11,-.07,;11.45,.7,;12.78,-.07,;14.11,.7,;14.11,2.24,;15.45,-.07,;15.45,-1.61,;16.9,-2.08,;17.8,-.84,;16.9,.4,;17.38,1.86,;17.86,3.33,;18.85,1.39,;15.92,2.34,;14.11,-2.38,;12.78,-1.61,;11.45,-2.38,;8.71,.56,;8.39,2.06,;7.67,-.59,;6.14,-.43,;5.52,.98,;3.99,1.14,;3.08,-.1,;3.71,-1.51,;5.24,-1.67,;5.86,-3.08,)|
COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
Cc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:21,t:18|
O=C(N(Nc1ccccc1)c1ccccc1)c1ccccc1
Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O
Cc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:7.7|
[H]C12CC3([H])CC(CN)(C1)CC(C2)(C3)c1ccc(C)cc1 |TLB:13:11:9:3.5.2,14:11:9:3.5.2,THB:13:3:9:11.10.12,2:3:10:1.9.12|
Cc1c(cccc1[N+]([O-])=O)-n1cccc1C=O
COc1ccc(Cc2nnc(S)s2)cc1
Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Br)cc1
Cc1cc(O)c(C=NOCc2ccc(Cl)cc2Cl)c(=O)o1 |w:7.7|
Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Cl)c(Cl)c1
Fc1ccc(\N=c2/ssnc2Cl)c(F)c1
CCNC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O |c:5|
Clc1nss\c1=N\c1cccc(c1)C#N
CCOc1ccc(Cc2nnc(S)s2)cc1
Cc1cc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(cc1C)[N+]([O-])=O
CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
Nc1ccc(N)c(c1)C(O)=O
Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O
CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
COc1cc(OC)c(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br |w:9.9|
COc1ccc(cc1)-c1cnnc(N=NCc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 |w:13.13|
Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O
OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O
OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
COc1ccc(cc1)N1C(=S)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O |w:15.16,17.18|
OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
CC(=O)Nc1ccc(cc1)N=Cc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1 |w:10.10|
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|
CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
[O-][N+](=O)c1sccc1SCC(=O)Nc1cc(F)ccc1F
Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
[O-][N+](=O)c1sccc1SCC(=O)Nc1cccc(F)c1
Cc1cccc(CCN2[C@@H](CCCNC(=O)C3CCC3)CN3[C@@H](Cc4ccc(O)cc4)CN=C23)c1 |t:34|
CCC(C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN=C2N1CCc1ccc(C)cc1)c1ccccc1 |c:23|
OC1CCC(CC1)NC(=O)c1cc(nc2ccccc12)-c1ccco1 |(6.85,-6.46,;6.85,-4.92,;5.52,-4.15,;5.52,-2.61,;6.85,-1.84,;8.18,-2.61,;8.18,-4.15,;6.85,-.3,;8.18,.47,;9.52,-.3,;8.18,2.01,;6.85,2.78,;6.85,4.32,;8.18,5.09,;9.52,4.32,;10.9,5.14,;12.29,4.35,;12.29,2.75,;10.9,1.95,;9.52,2.78,;5.52,5.09,;5.36,6.62,;3.85,6.94,;3.08,5.61,;4.11,4.46,)|
Clc1ccccc1OCC(=O)c1ccc[nH]1
CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1
COc1ccccc1CNc1nc(cs1)-c1cc(C)n(C)c1C
Fc1ccc2c(c1)C(CCS2(=O)=O)=NNc1ccc(cn1)C(F)(F)F |w:13.15|
O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
Fc1ccc(CNC(=O)c2c3CCCc3nc3ccccc23)cc1
COc1ccc(OC)c(c1)-c1csc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1
O=c1n(sc2ccccc12)-c1nccs1
CC(=O)c1cccc(NC(=O)c2nc(oc2C)-c2ccccc2)c1
CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(C)cc2)nc2ccccc2c1=O
CC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C
CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
CN(Cc1ccccc1)C(=O)COC(=O)\C=C\c1ccco1
COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Cc1ccc(c(C)c1)-n1nc(cc1C(O)=O)-c1ccco1
OC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1
CSc1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:8.8|
CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|
ClCc1cc(=O)n2c(n1)sc1ccccc21
COc1cc(\C=C(/C#N)C(=O)N2CCc3ccccc23)ccc1O
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/C=C(OC2=O)c2ccccc2)o1 |c:16|
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C