smiles
stringlengths 15
246
| p1
stringlengths 3
183
| p2
stringlengths 3
174
|
|---|---|---|
Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c(Cl)c(Cl)c1CN(C(=O)CCc1ccc2c(c1)OCCO2)C(C)C(=O)NC(C)(C)C | O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl | Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)[C@H](C)C(=O)NC(C)(C)C |
CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)=NN1c1ccccc1 | O=C(C1=NN(c2ccccc2)CC1)N1CCC(c2nc(O)n[nH]2)CC1 | CC(C)(C)OC(=O)[C@@H]1CC(C=O)=NN1c1ccccc1 |
Cc1nc2c(-c3ccccc3)cnn2c(NCC(C)C)c1C | Cc1nc2ccnn2c(NCC(C)C)c1C | Cc1cn2ncc(-c3ccccc3)c2nc1C |
CCC(Cn1ccnc1CN1CCC(c2nnc3ccccn23)CC1)(NC(=O)Cc1coc2cc(C)ccc12)OC | COCCn1ccnc1CN1CCC(c2nnc3ccccn23)CC1 | CC[C@H](C)NC(=O)Cc1coc2cc(C)ccc12 |
O=C(Nc1cccc(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 | NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 | O=CNc1cccc(F)c1 |
O=Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 | O=Cc1ccccc1 | Fc1cccc(F)c1 |
COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC | COc1ccccc1OC | Fc1ccc(-c2ncon2)cc1 |
Cc1onc(CC(=O)N2CCOC[C@@H]2c2ccccc2)c1C#N | Cc1oncc1C#N | c1ccccc1 |
O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 | O=C1CSc2ccccc2N1 | c1ccc2[nH]cnc2c1 |
Cc1ccc(C(=O)Nc2nnc(C(C(N(C)C)N3CCN(c4cc([C@H]5C[C@@H](O)C5)ncn4)CC3)S(C)(=O)=O)s2)cc1C | CS(=O)(=O)CCN1CCN(c2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 | Cc1ccc(C(=O)Nc2nnc(CCN(C)C)s2)cc1C |
C[C@H](Oc1ccccc1)C(=O)N1CC(n2c(C3CC3)nc3cc(NC(=S)NNc4ncc(C(F)(F)F)cc4Cl)cc(S(=O)(=O)N(C)C)c32)C1 | C[C@H](Oc1ccccc1)C(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 | CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 |
Cc1cc(C[S@@](=O)CCCC(=O)N(C)C)c2ccc(-c3cc(C(F)F)nc(SC4CC(=NO)C5OCC4O5)n3)cc2n1 | Cc1cc(C[S@@](=O)CCCC(=O)N(C)C)c2ccccc2n1 | O/N=C1/C[C@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@H]2CO[C@H]1O2 |
O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccccc1 | Nc1cccc(OC(=O)c2ccco2)c1 | O=C(Nc1cccc(O)c1)c1ccccc1 |
Cc1cc(CCNc2ccc3nnnn3n2)c(C)n1-c1ccccc1 | CCNc1ccc2nnnn2n1 | c1ccccc1 |
CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc(F)cc1 | C/C=C\C(=O)OCC | Fc1ccccc1 |
CCc1nc(N[C@H](C)C(=O)O)c2c3c(sc2n1)CCC3 | CCc1ncc2c3c(sc2n1)CCC3 | O=CO |
CN(C)S(=O)(=O)c1cc(Nc2ncccn2)c2c(c1NC(=O)c1c[nH]nc1I)CCN2C(=O)C=Cc1ccccc1 | O=C(Nc1ccc(Nc2ncccn2)cc1)c1c[nH]nc1I | CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccccc1 |
CC[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)c1ccccc1 | C[C@@H]1CCN[C@H]1CO | c1ccccc1 |
Cc1ccc(CCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 | CS(=O)(=O)N(CCCC=O)c1ccc2c(c1)OCCO2 | Cc1ccc(CCCNC(=O)CCCNS(C)(=O)=O)cc1 |
CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 | c1ccc2c(c1)CCCC2 | c1ccncc1 |
Cc1nn(CCC(=O)NCc2csc(C3CC3)n2)c2ccccc12 | Cc1n[nH]c2ccccc12 | c1csc(C2CC2)n1 |
O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)C1CCC(F)(F)CC1 | Fc1ccccc1Cl | FC1(F)CCCCC1 |
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 | C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 | CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN([SH](=O)=O)CC2)c1 |
O=C(CC1CCNCC1)N1Cc2ccccc2C1 | C1CCNCC1 | c1ccc2c(c1)CNC2 |
CCN(CC)C(=O)C(Sc1nnnn1-c1c(C)cccc1C)c1cc(-c2csnn2)ccc1NS(=O)(=O)c1cn(C(C)C)cn1 | CC(C)n1cnc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c1 | CCN(CC)C(=O)[C@@H](Sc1nnnn1-c1c(C)cccc1C)c1ccccc1 |
CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c(C)c1 | CC[C@@H](C(N)=O)N(c1cccc(C)c1)S(C)(=O)=O | CCCC(=O)Nc1ccc(C(=O)OCC)cc1C |
Cn1cc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)cn1 | Cc1cnn(C)c1 | c1cnn2cnnc2c1 |
COc1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] | Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC=O | COc1ccc(C(=O)O[C@H](C)C=O)cc1[N+](=O)[O-] |
CCn1c(=O)c(C2=NNC(=O)C2=CNc2nccs2)c(O)c2cc(CN(CCO)CCOCCO)cc(C(=O)NCC(C)C)c21 | CC(C)CNC(=O)c1cccc(CN(CCO)CCOCCO)c1 | CCn1c(=O)c(C2=NNC(=O)/C2=C\Nc2nccs2)c(O)c2ccccc21 |
CC(C)c1noc(CCNC(=O)CCNS(C)(=O)=O)n1 | CCNC(=O)CCNS(C)(=O)=O | CC(C)c1noc(CCNC(=O)CCN)n1 |
C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 | CCc1cccnc1 | c1cc(N2CCOCC2)ccn1 |
CCOc1cc(C(=O)C2C3C(=O)N(c4cccc(F)c4)C(=O)C3C3c4ccccc4C=CN23)c(-c2nnc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)o2)c([N+](=O)[O-])c1 | CCOc1ccc(-c2nnc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)o2)cc1 | O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 |
CC(C)(C(N)=O)N1CCN(c2ccc(F)cc2)CC1 | Fc1ccc(N2CCNCC2)cc1 | CC(C)(C(N)=O)N1CCNCC1 |
Cn1c(CCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 | O=CNc1ccc2c(c1)CCC2 | O=[SH](=O)N1CCCCC1 |
COC[C@@H](C)S(=O)(=O)N[C@H]1CCCNC1 | O=[SH](=O)N[C@H]1CCCNC1 | COC[C@@H](C)S(N)(=O)=O |
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc2ccccn12 | CCc1nnc2ccccn12 | O=[NH+][O-] |
CCOC(=O)c1c(-c2ccc(OC)c(CNC(=O)c3cnn(CC)c3C)c2)csc1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 | CCn1ncc(C(=O)NCc2ccccc2OC)c1C | CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 |
CCS(=O)(=O)N1C[C@@H](C(=O)NCCSC2CCCC2)Oc2cc(C3=NOC(CC4(C(=O)NCCCC5CCOC5)CCOCC4)C3)cc(F)c21 | CCS(=O)(=O)N1C[C@@H](C(=O)NCCSC2CCCC2)Oc2ccccc21 | O=C(NCCC[C@@H]1CCOC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 |
COc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc1 | COc1ccccc1 | CN(C)c1ccccc1 |
CC1=C(C(N)=O)[C@H](c2ccccc2[N+](=O)[O-])N2NC(c3cc(Cl)ccc3OCC(=O)NC3CCCOC3c3ccncc3)=NC2=N1 | CC1=C(C(N)=O)[C@H](c2ccccc2[N+](=O)[O-])N2NC(c3cccc(Cl)c3)=NC2=N1 | O=C(COc1ccccc1)N[C@H]1CCCO[C@@H]1c1ccncc1 |
Cc1cc(C(=O)NS(C)(=O)=O)c(C)n1Cc1ccco1 | CS(=O)(=O)NC=O | Cc1ccco1 |
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(O)/C=C/c1ccccc1 | O=[N+]([O-])c1ccccc1 | OC/C=C/c1ccccc1 |
CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1O | CCOc1cccc(Cl)c1O | CN(C)c1ccccc1 |
CS(=O)(=O)N1CCN(CCc2ccc(F)cc2)C[C@@H](C(N)=O)C1 | C[SH](=O)=O | CCc1ccc(F)cc1 |
O=C(Cc1ccccc1C(F)(F)F)OCc1ccoc1 | Cc1ccccc1C(F)(F)F | O=C(Cc1ccccc1)OCc1ccoc1 |
Cc1nc(NC[C@@H](O)COc2c(C)cccc2C)c2cnn(C)c2n1 | Cc1cccc(C)c1OC[C@H](O)CN | Cc1nc(NC[C@@H](O)CO)c2cnn(C)c2n1 |
Cc1noc([C@H]2CN(C(=O)c3cccs3)C[C@H]2c2ccccc2)n1 | O=C(c1cccs1)N1CC[C@H](c2ccccc2)C1 | Cc1noc([C@@H]2CCN(C(=O)c3cccs3)C2)n1 |
O=C(/C=C/c1ccccc1Cl)NCc1ccc(-n2ccnc2)cc1 | O=CNCc1ccc(-n2ccnc2)cc1 | O=C(/C=C/c1ccccc1Cl)NCc1ccccc1 |
O=C(NCCOc1ccccc1Cl)c1cccc(N2CCCCS2(=O)=O)c1 | NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 | O=C(NCCOc1ccccc1Cl)c1ccccc1 |
CSc1ncc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cn1 | CN1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 | CSc1ncc(CN2CCC[C@H](CNC=O)C2)cn1 |
CCOc1cc2c(cc1/C=C1\SC(=O)N(C)C1=O)OCO2 | CCO | CN1C(=O)CSC1=O |
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1 | O=S(=O)(c1ccccc1)N1CCCC1 | O=C(NCCOc1ccccc1)c1cccnc1 |
CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)N(C)C1 | CO[C@H]1CCN(C)C1 | c1c[nH]cn1 |
Cc1cccnc1Nc1cc(C2CCCN2C(=O)c2cnccn2)nc(/C(=C2/SC(=S)NC2=O)c2ccc(OC(F)(F)F)cc2)n1 | O=C1NC(=S)S/C1=C\c1ccc(OC(F)(F)F)cc1 | Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 |
CCN(Cc1noc(C)n1)[C@H]1CCCN(C[C@H]2CC=CCC2)CC1 | CCN[C@H]1CCCN(C[C@H]2CC=CCC2)CC1 | CCN(Cc1noc(C)n1)[C@H]1CCCNCC1 |
CCCO[C@@H]1CCCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C1 | Cc1cc(C)n(-c2ccc(F)cc2C)n1 | CCCO[C@@H]1CCCN(Cc2cccc(F)c2)C1 |
CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O | O=[SH](=O)C(F)(F)F | O=C1[C@H]2CCC[C@@H]1CCC2 |
COC(=O)c1cc2c(c3c1CCC(C)N3S(=O)(=O)c1cc(Cl)ccc1OC)NC(=O)[C@@H](NCc1cnn(C)c1C)CC2 | COC(=O)c1ccc2c(c1)CC[C@H](NCc1cnn(C)c1C)C(=O)N2 | COc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2CC[C@@H]1C |
Cc1cc2nc(C3CCN(C(=O)c4cc(C(C)C)no4)CC3)cc(C(F)(F)F)n2n1 | CC(C)c1cc(C(=O)N2CCCCC2)on1 | Cc1cc2nc(C3CCNCC3)cc(C(F)(F)F)n2n1 |
Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccccc1 | O=CNCc1cccnc1 | c1ccccc1 |
NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 | N[SH](=O)=O | O=CC1CCCCC1 |
Cc1cc(C(=O)O)c2[nH]cc(CC(=O)N[C@H](C)c3ccccn3)c2c1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O | C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccn1 | Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O |
CC1=NC(=O)C2(CCN(c3nc(-c4ccc(F)cc4[C@H](CNC(=O)c4sc(NC(=O)C5CC5)cc4C)N(C)C)nc4c3CCC4)CC2)N1 | Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C | CC1=NC(=O)C2(CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)N1 |
Cc1cc(Br)cc(C(=O)NCCOC(N)=O)c1 | NC(=O)OCCNC=O | CCNC(=O)c1cc(C)cc(Br)c1 |
CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C1 | O=C(Nc1cccc(F)c1)N1CCCC1 | CS(=O)(=O)[C@@H]1CCN(C=O)C1 |
C[C@H]1C[C@H](C)CN(Cc2nc(-c3cc(Br)cs3)no2)C1 | C[C@@H]1CNC[C@@H](C)C1 | Brc1ccsc1 |
O=C(CCCn1cncn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 | O=CCCCn1cncn1 | c1ccc2scnc2c1 |
COCCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1c(S(=O)(=O)N(C)CC(=O)N[C@H](CO)[C@@H](C)OC)c(C)c(C)c2ccccc12 | CO[C@H](C)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 | COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 |
Cc1noc(C)c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccc(C(C)C)cc1 | CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N)cc1 | Cc1noc(C)c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(N)=O |
O=C(NCCCn1cncn1)c1ccc([C@H]2CCCNC2)cc1 | NCCCn1cncn1 | C1CCNCC1 |
CCn1cc(C2OCCC2CNCc2cc3cc(F)c(CN(OC)S(=O)(=O)N4CCC(C(=O)O)CC4)cc3o2)cn1 | CON(Cc1ccccc1)S(=O)(=O)N1CCC(C(=O)O)CC1 | CCn1cc([C@@H]2OCC[C@@H]2CNCc2cc3cc(F)ccc3o2)cn1 |
CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC2 | CN1C(=O)CCC12CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC2 | CN1C(=O)C[C@H](C(=O)O)C12CCNCC2 |
COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cc(Cl)cc5c4nc4c(C#N)c(C)cc(SCC(=O)N6CCCC(C)C6)n45)C(=O)[C@@H]32)cc1 | COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 | Cc1cc(SCC(=O)N2CCC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N |
CCc1nnsc1C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1 | CCc1nnsc1C=O | Cc1nc[nH]n1 |
O=C(N[C@H](CC(=O)N1CCOc2cc(F)ccc21)c1ccccc1)c1ccccc1Cl | NC(=O)c1ccccc1Cl | Fc1ccc2c(c1)OCCN2 |
Cc1nccn1-c1ccc(CNC(=O)/C=C/c2cccnc2)cc1F | Cc1ncc[nH]1 | O=C/C=C/c1cccnc1 |
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 | CSCC[C@@H](N[SH](=O)=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 | CSCC[C@H](C=O)NS(=O)(=O)c1ccccc1F |
CCOCc1c(C(=O)NC2CCCCNC2=O)oc2cc(Cl)c(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)cc12 | O=C(c1ccccc1Cl)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 | CCOCc1c(C(=O)N[C@H]2CCCCNC2=O)oc2ccccc12 |
CC(C)(C)n1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 | CC(C)(C)n1cccn1 | O=CN1CCOCC1 |
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(N(C)C)cc1 | CC1=C[C@H](c2ccc(N(C)C)cc2)NC(=O)N1C | COC(=O)C1=C(C)N(C)C(=O)NC1 |
Oc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)c(O)c1 | c1cn2c(NC[C@H]3CCCO3)cnc2cn1 | Nc1c(-c2ccc(O)cc2O)nc2cnccn12 |
c1ccc(Cn2cncc2-c2nc3c(cnn3Cc3cccnc3)[nH]2)cc1 | c1cncc(Cn2ncc3[nH]cnc32)c1 | c1ccc(Cn2cncc2-c2nc3[nH]ncc3[nH]2)cc1 |
COc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OC | COc1ccccc1OC | O=C1CCC(=O)N1 |
Cc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1cscn1)C2=O | O=C1[C@@H]2CC[C@@H](CNC2)N1Cc1cscn1 | Cc1nonc1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2 |
COc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)ccc1OCc1ccccc1 | COc1ccccc1OCc1ccccc1 | COc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 |
C[C@@H](COc1cccc(F)c1)NC(=O)c1nccn2ccnc12 | Fc1ccccc1 | c1cn2ccnc2cn1 |
COc1cccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1 | CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C=O)n1 | COc1cccc(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)n2)c1 |
CCN1CC(c2cc(C[C@H]3CN(C(=O)Cc4noc5ccccc45)CCO3)ccc2OC)CC2(CCN(C(=O)CN(C)C(N)=O)CC2)C1 | COc1ccc(C[C@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1 | CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN(C)C(N)=O)CC2)C1 |
COc1cc(C(=O)N(c2nc3c(C)cc(C)cc3s2)S(=O)(=O)c2cnc3onc(C)c3c2)cc(-c2ccccc2)c1OC | COc1ccc(C(=O)NS(=O)(=O)c2cnc3onc(C)c3c2)cc1-c1ccccc1 | COc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 |
Cc1oc(-c2cnn(C)c2)nc1/C(O)=N/CCN1CCOC[C@@H]1C | Cn1cccn1 | CCN1CCOC[C@@H]1C |
O=C(Nc1ccc(F)cc1)[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 | O=S(=O)(c1ccc(SCc2ccccc2)nc1)N1CCOCC1 | O=C(Nc1ccc(F)cc1)[C@H](Sc1ccccn1)c1ccccc1 |
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 | CC1=C(C)C[C@@H](C(=O)O)CC1 | Cc1ccc2c(c1)OCO2 |
C[C@H]1CCCCN1C(=O)[C@@H](Cc1cccc(-n2ncc(I)c2C=O)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O | C[C@H]1CCCCN1C(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O | O=Cc1c(I)cnn1-c1ccccc1 |
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 | CCCC(=O)NC1CCCC1 | COc1ccc(Cl)cc1 |
CO[C@@](C)(C(=O)O)C(=O)N1CCN(c2c(F)cc(F)cc2F)CC1 | CO[C@@H](C)C(=O)O | Fc1cc(F)cc(F)c1 |
COc1ccccc1-c1ncc(CN2CCCC[C@H]2CCn2ccnc2C)s1 | COc1ccccc1-c1nccs1 | Cc1ncc[nH]1 |
C=CCN(CC=C)C(=O)c1cnn(-c2ncc3c(n2)-c2c(C)c(OC)cc(CCNC(=O)C4CCCOC4C)c2CCC3)c1C | C=CCN(CC=C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C | COc1cc(CCNC(=O)[C@H]2CCCO[C@H]2C)ccc1C |
COc1cc(CCC(=O)Nc2cccc(I)c2)c(-n2c(CC3CCNCC3)nn(Cc3cccnc3)c2=O)cc1OC | COc1ccc(CCC(=O)Nc2cccc(I)c2)cc1OC | O=c1n(Cc2cccnc2)nc(CC2CCNCC2)n1-c1ccccc1 |
CC1(C)CC[C@@H]2C[C@H](NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)c3cccc1c32 | C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)NC1=O | CC1(C)CC[C@@H]2C[C@H](NC(=O)c3ccccc3)c3cccc1c32 |
CC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C)s2)cc1 | Cc1ccc(CN(CCN(C)C)C(N)=O)s1 | CC(=O)c1ccc(NC(=O)NCCN(C)C)cc1 |
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