smiles
stringlengths 15
246
| p1
stringlengths 3
183
| p2
stringlengths 3
174
|
|---|---|---|
O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 | O=CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 | O=C(c1ccc(OC(F)F)cc1)N1CCCC1 |
CCCn1nc2c(c1C)[C@H](c1ccc(OCC(N)=O)c(Cl)c1)CC(=O)N2 | NC(=O)COc1ccccc1Cl | CCCn1nc2c(c1C)[C@H](c1cccc(Cl)c1)CC(=O)N2 |
CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(C)c1 | Cc1cccc(NC(=O)Cn2nnc(-c3ccc(C)o3)n2)c1 | CC[C@H](C(=O)NC(C)(C)C)N(C(C)=O)c1cccc(C)c1 |
C[C@@H](CNC(=O)c1cccc(Nc2ncccn2)c1)N1CCOCC1 | CNC(=O)c1cccc(Nc2ncccn2)c1 | C[C@@H](CNC(=O)c1ccccc1)N1CCOCC1 |
CCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 | CCCNC=O | O=Cc1ccccc1F |
COC(=O)c1c(N)sc(C)c1-c1cc(NS(=O)(=O)N(C)C)c(C(C)C)c(OC)c1Br | COc1cc(NS(=O)(=O)N(C)C)ccc1Br | COC(=O)c1c(N)sc(C)c1-c1ccc(C(C)C)cc1 |
Cc1cccc(C)c1-n1nnnc1CN1CCOC[C@H]1c1nc[nH]n1 | c1nc([C@@H]2COCCN2Cc2nnn[nH]2)n[nH]1 | Cc1cccc(C)c1-n1nnnc1C |
CCCCc1ncc(CN(C)C[C@@H]2CCOC2)[nH]1 | CCCCc1ncc[nH]1 | C1CCOC1 |
COc1ccc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)cn1 | O=CN1CCCN(CC2CCCCC2)CC1 | COc1ccc(CNC(=O)N2CCCNCC2)cn1 |
Cc1nn(Cc2c(C(=O)Nc3ccc(F)cc3F)noc2C)c(C)c1[N+](=O)[O-] | O=CNc1ccc(F)cc1F | O=[NH+][O-] |
NCCN1C(=O)CC[C@@H]2CN(Cc3cccn3-c3ccccn3)CC[C@@H]21 | Cc1cccn1-c1ccccn1 | NCCN1C(=O)CC[C@@H]2CN(Cc3ccc[nH]3)CC[C@@H]21 |
Cc1cc(C)c(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c(OCC(=O)NCC(c2ccco2)N2CCCCC2)c1 | Cc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 |
COCC[C@@H](O)CN1CCc2ccc(S(C)(=O)=O)cc2CC1 | COCC[C@H](C)O | C[SH](=O)=O |
CCN(CC)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 | O=S(=O)(c1ccccc1)N1CCc2ccccc21 | CCN(CC)CCC[C@H](C)NC(=O)c1cccc([SH](=O)=O)c1 |
C[C@H](c1nnnn1C)N1CCC(n2ccc(C(F)(F)F)n2)CC1 | CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 | C[C@H](c1nnnn1C)N1CCCCC1 |
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 | Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1 | CC[C@@H](C)NC(=O)c1cccc(CNC=O)c1 |
CCOc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2N)cc1 | CCOc1ccc(N)cc1 | Clc1cccc(N2CCNCC2)c1 |
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 | O=CNc1ccccc1 | O=[N+]([O-])c1ccccc1 |
O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 | C1CCN(C[C@H]2CCOC2)C1 | O=[SH](=O)C1CCCC1 |
CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 | CCC(=O)NCCC(C)C | C[C@@H](N)c1ccccc1 |
CCCN(CC(=O)NC)S(=O)(=O)c1cc(NC(=O)c2cncnc2CC2CCNCC2)c(C(=O)OCC)cc1F | CCCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)OCC)cc1 | O=C(Nc1ccc(F)cc1)c1cncnc1CC1CCNCC1 |
Cc1cn2c(=O)cc(COC(=O)Cc3cc4c5ccccc5c5c(c([C@@H](C(=O)O)N6CCN(C/C=C/c7ccccc7)CC6)c(C(=O)O)n5C)c4o3)nc2s1 | Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | Cc1cn2c(=O)cc(COC(=O)Cc3cc4c(ccc5ccccc54)o3)nc2s1 |
O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 | O=C[C@@H]1C[C@@H]1c1cccc(Cl)c1 | O=C(O)[C@@H]1CCCN1C(=O)C1CC1 |
Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1C[C@H]1CCCO1 | O=CCN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O | Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1C[C@H]1CCCO1 |
CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 | NC(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 | CCOc1ccccc1NC(=O)N1CCNCC1 |
Cc1cc(Cl)ccc1NC(=O)CNC(=O)c1ccoc1 | Cc1cccc(Cl)c1 | O=Cc1ccoc1 |
CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)N[C@H]1c1cc(OC)c(OC)c(OC)c1 | CCOC(=O)C1=C(C)N=CN[C@H]1c1cc(OC)c(OC)c(OC)c1 | CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)NC1 |
CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cn2nccc2nc1C | CN1CCNCC1 | Cc1ccn2nccc2n1 |
Cc1cc(CS(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)no1 | Cc1cc(C)on1 | NC(=O)C1CC1 |
CCn1nnnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C | CCn1nnnc1S | CC1CCCCC1 |
CN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2cc(Cl)c(Br)cc2N2C(=O)NC(NS(=O)(=O)c3ccccc3)(C(F)(F)F)C2=O)CC1 | CN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)CC1 | O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 |
COCCn1nc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2C3CCC(C3)[C@H]2N)n(C)c1=O | COCCn1nc(C[C@H]2CCCC[C@H]2N)n(C)c1=O | O=[N+]([O-])c1ccc(N/N=C/[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 |
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCN(CCc2ccccc2)C1 | CN[C@@H]1CCCN(CCc2ccccc2)C1 | CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCNC1 |
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 | NC(=O)c1nsc(C(=O)N[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N | Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C=O)c1ccco1 |
COc1ccc(CC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 | Cc1ccc(NC=O)cc1N1CCCCC1=O | COc1ccc(CC(=O)Nc2ccc(C)cc2)cc1 |
COc1ccc(-c2csc(NC(=O)[C@H](c3c(F)cccc3F)N(C)C)n2)cc1OC | CN(C)[C@H](C(=O)Nc1nccs1)c1c(F)cccc1F | COc1ccc(-c2csc(NC(=O)CN(C)C)n2)cc1OC |
COc1cc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2ccccc2F)cc(O)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 | COc1cccc(O)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 | Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2ccccc2F)cc1 |
COc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 | COc1ccc(O)cc1 | O=[NH+][O-] |
COCC(NC(=O)C(C)(C)OCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1)c1ccccn1 | CCOCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1 | CCOC(C)(C)C(=O)N[C@@H](COC)c1ccccn1 |
CC1=C(C(N)=O)[C@@H](c2cccc(F)c2)N2NC(SCc3ccccc3)=NC2=N1 | CC1=C(C(N)=O)CN2NC(SCc3ccccc3)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2cccc(F)c2)N2NC=NC2=N1 |
CN(Cc1cccc(C(F)(F)F)c1C1CC1S(=O)(=O)N1CCC=C(c2cnn(C)c2)C1)c1nccc(N)n1 | CN(Cc1cccc(C(F)(F)F)c1)c1nccc(N)n1 | Cn1cc(C2=CCCN(S(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)C2)cn1 |
Cc1cc(C)cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](CC(C)C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 | CC(C)C[C@H](OC(=O)[C@H]1[C@H]2C=C[C@@]3(CNC(=O)[C@@H]13)O2)C(=O)NC1CCCC1 | Cc1cc(C)cc(N2C[C@@]34C=C[C@H](C[C@@H]3C2=O)O4)c1 |
C[C@@H]1CN(C(=O)CCCc2nc3ccccc3s2)[C@@H](C)CO1 | O=CCCCc1nc2ccccc2s1 | CCCC(=O)N1C[C@@H](C)OC[C@@H]1C |
Cc1cnn(C[C@@H]2CCCN2C(=O)COCc2ccccc2Cl)c1 | Cc1cn[nH]c1 | Cc1ccccc1Cl |
Cc1ccc(CN2CCC3(CC2)CCN(C(=O)N(C)C)C3)cc1 | Cc1ccc(C)cc1 | CN(C)C=O |
NC(=O)CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 | O=C1CSC(=S)N1C[C@@H]1CCCO1 | NC(=O)CN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21 |
O=C(NC[C@@H]1CCCN1c1cccnn1)c1ccnn1C1CCCC1 | O=C(NC[C@@H]1CCCN1)c1ccnn1C1CCCC1 | O=CNC[C@@H]1CCCN1c1cccnn1 |
Cn1cnc2c1CCN(Cc1cnn(-c3ccc(C=CC(=O)OCC(=O)N4CCCCCC4)cc3[N+](=O)[O-])n1)C2 | Cn1cnc2c1CCN(Cc1cnn(-c3ccccc3)n1)C2 | O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCCCCC1 |
O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 | CCCc1nc(-c2cccnc2)no1 | Cc1ccncc1 |
O=S(=O)(NCCN[C@H]1CCCC12CCOCC2)c1ccccc1 | NCCNS(=O)(=O)c1ccccc1 | O=[SH](=O)NCCN[C@H]1CCCC12CCOCC2 |
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1 | Clc1nc(Nc2ccccc2)c2nc[nH]c2n1 | Nc1cccc([N+](=O)[O-])c1 |
O=[N+]([O-])c1cc2c(cc1Nc1cnn([C@@H]3CCS(=O)(=O)C3)c1)OCC2 | O=S1(=O)CC[C@@H](n2cc(Nc3ccc4c(c3)OCC4)cn2)C1 | O=[N+]([O-])c1cc2c(cc1Nc1cn[nH]c1)OCC2 |
COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C3 | COc1ccc2[nH]c3c(c2c1)CCNC3 | Clc1ccccc1 |
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 | CC(=O)Nc1cc(Cl)ccc1C | O=[SH](=O)NCc1ccco1 |
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F | O=C(CO)Nc1cc([N+](=O)[O-])ccc1F | C[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1F |
CC(=O)Nc1ccc2c(c1[C@H]1C[C@H](C)N(C(=O)c3nc4ccccc4c(=O)[nH]3)C1)N(CC(C)C)C(=O)C(C)(C)CO2 | C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 | CC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 |
COc1ccccc1CNC(=O)c1cnc(-c2cccnc2)nc1O | CNC(=O)c1cnc(-c2cccnc2)nc1O | COc1ccccc1CNC(=O)c1cncnc1O |
COc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 | NS(=O)(=O)c1cccc(C(F)(F)F)c1 | COc1cccc(N[SH](=O)=O)c1 |
CCCC(SCc1cccc(Cl)c1)C(CCCCCCCOC(=N)N1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 | CCCCCCCCCCCCOC(=N)N1CCOCC1 | Cc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1[N+](=O)[O-] |
Cn1cc([C@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)cn1 | Cn1cccn1 | C[C@H](C#N)C1CC1 |
CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C | CC(N)=O | Cc1ccc(C)cc1 |
CC(=O)c1ccc(S(=O)(=O)CCCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c(F)c1 | O=C(CCCSc1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 | CC(=O)c1ccc(S(C)(=O)=O)c(F)c1 |
CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1c(OC)cc([N+](=O)[O-])c(OC)c1CN1CCCC(C(=O)N(CC)CC)C1 | CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1 | CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 |
CC(C)c1ccc(C(=O)N2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 | N#CCC[C@H](C#N)CN1CCNCC1 | CC(C)c1ccc(C(=O)N2CCNCC2)cc1 |
Cc1noc(CNC(=O)c2ccc(F)c(F)c2)n1 | Cc1ncon1 | Fc1ccccc1F |
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O | C[C@H]1NC(=O)N(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O | C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC=O)C1=O |
O=C(Cc1cccc(O)c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 | CC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 | O=C(Cc1cccc(O)c1)NCCO |
C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N1CCc2ccccc2C1 | CCN1CCc2ccccc2C1 | Cc1ccncc1 |
COc1ccc(C(=O)NCC(Cc2ccc3c(c2)CCN(S(=O)(=O)c2cc4cc(Br)ccc4oc2=O)C3)C(=O)O)nn1 | O=c1oc2ccc(Br)cc2cc1S(=O)(=O)N1CCc2ccccc2C1 | COc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)nn1 |
COc1c(F)c(NC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc2c1CCC2NC(=O)CCCNc1ncccn1 | COc1cccc(NC(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 | O=C(CCCNc1ncccn1)N[C@@H]1CCc2cc(F)ccc21 |
COc1ccc(Cl)cc1NC(=O)c1cc2c(c3c1C(O)CN(Cc1ccc(CC(C)C)s1)C3)N1CCCCCC1=NS2(=O)=O | COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 | CC(C)Cc1ccc(CN2Cc3ccccc3[C@@H](O)C2)s1 |
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccco2)C1=O | NC(=O)CN1C(=O)N/C(=C/c2ccco2)C1=O | CCc1ccccc1NC(=O)CN1C(=O)CNC1=O |
CC(=O)Nc1ccc(OC[C@H](O)COc2ccc3ccccc3c2)cc1 | CC(=O)Nc1ccccc1 | c1ccc2ccccc2c1 |
COc1ccc(C2Nc3nonc3NC3=C2C(=O)CC(c2ccccc2)C3)c(OCc2ccoc2C(=O)Nc2cc(-c3cccs3)n[nH]2)c1 | Cc1ccoc1C(=O)Nc1cc(-c2cccs2)n[nH]1 | COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 |
Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1F | Cc1ccccc1F | Fc1ccc2c(Cl)csc2c1 |
CC1(C)C[C@H](NC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)CCO1 | NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F | CC1(C)C[C@H](NC(=O)C[C@H](O)C(F)(F)F)CCO1 |
COc1ccc(OCC(=O)N2CCN(c3cc(Cl)c4ncccc4c3C(=O)NCC3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 | COc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 | CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc2ncccc12 |
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1 | Cc1cccc(CO[C@@H]2CN(C)Cc3cccn3C2)n1 | CCS(=O)(=O)CCN1CCCn2cccc2C1 |
COC[C@H]1CC2(CCN(Cc3cc(OC)c4c(c3N3CC(C(=O)NCCCn5cncn5)CC3=O)OCO4)CC2)CN1C | COC[C@H]1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)CN1C | COc1ccc(N2C[C@@H](C(=O)NCCCn3cncn3)CC2=O)cc1 |
Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 | Cc1ncc2ccccc2n1 | c1ccc2c(c1)CCCC2 |
O=C1[C@H](NC(=O)N2CCC[C@H]3CCC[C@@H]32)CCN1CC(F)(F)F | C1CN[C@H]2CCC[C@@H]2C1 | CC(F)(F)F |
COC(=O)c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 | O=[SH](=O)NCc1cccc(F)c1 | COC(=O)c1cccc(S(N)(=O)=O)c1 |
CCS(=O)(=O)N1CCC(C(=O)Nc2cc3c(c(Br)c2S(=O)(=O)NCc2nccc(N(C)C)n2)OCCO3)CC1 | CN(C)c1ccnc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 | CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 |
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1 | N#Cc1cccc([N+](=O)[O-])c1 | C=C1C(=O)NC(=S)N=C1O |
C[C@@H](Nc1ccc2nnnn2n1)c1noc(-c2ccc(Cl)cc2)n1 | CCc1noc(-c2ccc(Cl)cc2)n1 | C[C@@H](Nc1ccc2nnnn2n1)c1ncon1 |
COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1OC | COc1ccc(C=O)cc1OC | Clc1ccccc1 |
CCN(CCN(C)CC(F)(F)F)C(=O)c1cc(CN2CCCC2=O)ccc1S(=O)(=O)N1CCCCC1C(=O)Nc1cccc2ncccc12 | CCN(CCN(C)CC(F)(F)F)C(=O)c1cccc(CN2CCCC2=O)c1 | O=C(Nc1cccc2ncccc12)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 |
C[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(F)c(F)c1)S(C)(=O)=O | C[C@@H](NC=O)c1ccc2c(c1)OCCO2 | Fc1ccccc1F |
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(=O)N3CCCC3)cc12 | Cc1n[nH]c2sc(C(=O)NCC(=O)N3CCCC3)cc12 | Cc1nn(-c2ccccc2)c2sccc12 |
COc1ccc2c(c1)OC[C@H](CNC(=O)N1CCCC1)C2 | COc1ccc2c(c1)OCCC2 | C1CCNC1 |
COCc1cc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)ccc1OC | CN1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 | CC[C@H]1CCCN(Cc2ccc(OC)c(COC)c2)C1 |
Cc1cc(C)c(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)c(C)c1 | Cc1cc(C)cc(C)c1 | c1ccc2[nH]nnc2c1 |
Cc1c(NC(=O)CCc2ccncc2)cccc1C(=O)N(C)C | O=CCCc1ccncc1 | CN(C)C=O |
Cc1c([C@H](C)NC(=O)NCCc2ccc3c(c2)OCCO3)cnn1-c1ccc(F)cc1 | CCNC(=O)NCCc1ccc2c(c1)OCCO2 | CCNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C |
NCCCC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O | NC(=O)CNC(=O)Cc1ccccc1 | NCCCC[C@@H](NC(=O)CNC=O)C(=O)O |
COc1cc(C(=O)OCC(=O)N[C@H](C)C(C)C)c(NC(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)c(Cl)c1OC | COc1cc(C(=O)OCC(=O)N[C@H](C)C(C)C)cc(Cl)c1OC | CC(=O)N1CCc2ccc(NC(=O)Nc3ccccc3Cl)cc21 |
Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 | NC(=O)CN(Cc1ccco1)Cc1cccs1 | Cc1cccc(NC(=O)CNCc2cccs2)c1 |
CN1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 | CN1CC[C@@H](C(N)=O)C1 | c1ccc2c(c1)OCCO2 |
CCOCCC(=O)Nc1cc(C(C)C)c2nc(C3CC3)oc2c1C(C(=O)NCC1CCCO1)N(C(=O)Cn1nnc2ccccc21)C1CC1 | CCOCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 | CC(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1 |
CC(C)c1cc(C(=O)N2CCC(CCN3CCCC3=O)CC2)n(C)n1 | CC(C)c1ccn(C)n1 | CCN1CCCC1=O |
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