smiles
stringlengths 15
246
| p1
stringlengths 3
183
| p2
stringlengths 3
174
|
|---|---|---|
CCc1ccsc1C(=O)N(C)c1ccc2nc(C)[nH]c2c1 | CCc1ccsc1 | Cc1nc2ccccc2[nH]1 |
Cn1cc(C(=O)N2CCCC[C@H]2c2csc(N)n2)cn1 | Cn1cccn1 | Nc1nccs1 |
CC(NCC1CNc2ccnn2C1)c1c(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc(N2CCOCC2)cc1[N+](=O)[O-] | C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc([N+](=O)[O-])c1 | C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 |
Cc1noc(C)c1COC(=O)/C=C/c1ccc2c(OC(=O)c3ccco3)c(N3C(=O)C4CCC(C)CC4C3=O)ccc2n1 | Cc1noc(C)c1COC(=O)/C=C/c1ccc2ccccc2n1 | C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccco3)C(=O)[C@@H]2C1 |
COC[C@@H]1CCCN(C(=O)N[C@H]2c3cc(C4(CNC(C)=O)CCC(O)C(N(C)C(=O)CC5CCCCC5)CC4)ccc3CC23CCOCC3)C1 | COC[C@@H]1CCCN(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)C1 | CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CC2CCCCC2)CC1 |
Cc1nc(O)cc(C2CCN(C(=O)Nc3ccc4scnc4c3)CC2)n1 | O=C(Nc1ccc2scnc2c1)N1CCCCC1 | Cc1nc(O)cc(C2CCN(C(N)=O)CC2)n1 |
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 | CCN(CC)[SH](=O)=O | O=C1c2ccccc2S(=O)(=O)c2ccccc21 |
Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)c2cccc(C)c2n1 | O=CN1CCC(Oc2cccnc2)CC1 | Cc1cc(C(=O)N2CCCCC2)c2cccc(C)c2n1 |
O=S1(=O)CCN(Cc2ccccc2C(F)(F)F)CC1 | O=S1(=O)CCNCC1 | FC(F)F |
Cc1ccc(NC2CCN(C(=O)c3cnc(C4CC4)s3)CC2)nn1 | Cc1ccc(N)nn1 | c1csc(C2CC2)n1 |
Cc1ccc(NC(=O)CO/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1F | Cc1ccc(NC(=O)CON)cc1F | O=[NH+][O-] |
CN(C)c1ccc(/C=C2\SC(=O)N(C[C@H](O)Cn3c4ccccc4c4ccccc43)C2=O)cc1 | O=C1CSC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 | CN(C)c1ccc(/C=C2\SC(=O)N(CCO)C2=O)cc1 |
COc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)OC3)cc1 | O=C1OCC2=C1CCC(=O)N2c1ccc(C(F)(F)F)cc1 | COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3)cc1 |
Cc1cc(C(=O)CN2CCn3c(nnc3C3CC3)C2)c(C)[nH]1 | Cc1ccc(C)[nH]1 | C1CC1 |
CCOC(=O)CC(NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cc(OC)cc2c1OC[C@H](CN(C)C(=O)CCn1cnnn1)O2 | CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cnnn1 | CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(OC)c1 |
CC(C)c1nccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 | O=C(Nc1ccc(N2CCNCC2)cn1)C1CC1 | CC(C)c1nccc(N2CCN(c3cccnc3)CC2)n1 |
Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 | NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 | Cc1cc(C)c(NC(=O)c2ccccc2)c(C)c1 |
Cc1cccc(COCC[C@H]2CCOC23CN(S(=O)(=O)C(C)C)C3)n1 | CC(C)S(=O)(=O)N1CC2(CCCO2)C1 | Cc1cccc(COCC[C@H]2CCOC23CNC3)n1 |
COC(=O)c1ccc(CNc2cnn(-c3ccccn3)c2)cc1 | CNc1cnn(-c2ccccn2)c1 | COC(=O)c1ccc(CNc2cn[nH]c2)cc1 |
COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)oc12 | O=CNc1ccccc1C(=O)NCCc1ccccc1 | COc1cccc2cc(C(=O)Nc3ccccc3)oc12 |
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)c1csnn1 | O=C(c1csnn1)N(Cc1ccccc1)Cc1ccco1 | O=C(NC1CCCCC1)[C@H](NCc1ccco1)c1ccccc1 |
CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C(C)C)no1)CC2 | CNc1ncc2c(n1)CCN(Cc1cc(C(C)C)no1)C2 | CNc1nc2c(c(C(=O)N3CCCC3)n1)CNCC2 |
C=CC(CCCO)N(C(=O)c1ccc2nc(Br)nn2c1)[C@H]1CCc2c(sc3ncn(Cc4cc5ccccc5s4)c(=O)c23)C1 | C=CCN[C@H]1CCc2c(sc3ncn(Cc4cc5ccccc5s4)c(=O)c23)C1 | C[C@@H](CCCO)NC(=O)c1ccc2nc(Br)nn2c1 |
CCN1CCN(S(=O)(=O)c2cnccc2NNc2c(C(=O)c3ccc(OC)cc3)sc3sc(C(=O)c4ccc(OC)cc4)c(N)c23)CC1 | COc1ccc(C(=O)c2sc3sc(C(=O)c4ccc(OC)cc4)c(N)c3c2N)cc1 | CCN1CCN(S(=O)(=O)c2cnccc2NN)CC1 |
C=CCn1c(SCc2ncccc2OC)nnc1C1CCNCC1 | COc1cccnc1CS | C1CCNCC1 |
Cc1ccc(NC(=O)COc2ccccc2C(C)C)c([N+](=O)[O-])c1 | Cc1ccc(NC=O)c([N+](=O)[O-])c1 | Cc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 |
N#Cc1cccnc1N1CCC(NC(=O)[C@H]2Cc3ccccc3O2)CC1 | O=C(NC1CCNCC1)[C@H]1Cc2ccccc2O1 | N#Cc1cccnc1N1CCC(NC=O)CC1 |
CCc1cc(CN(C)C(=O)c2cnn(-c3c(NC(=O)OCC(F)(F)F)cc(NC(=O)c4ccco4)cc3OC)c2)on1 | O=C(Nc1cccc(NC(=O)c2ccco2)c1)OCC(F)(F)F | CCc1cc(CN(C)C(=O)c2cnn(-c3ccccc3OC)c2)on1 |
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 | COC(=O)c1ccc(C)c(N)c1 | Cc1ccc([N+](=O)[O-])cc1 |
CCCc1nc(C(=O)N2CC[C@@H]2c2ccc(F)c(NC3=NC(=O)C(=Cc4ccccc4C)S3)c2C)cs1 | CCCc1nc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)cs1 | Cc1ccccc1/C=C1\SC(Nc2ccccc2C)=NC1=O |
CC(C)n1c([C@H](O)c2nc3ccccc3n2C)nc2c(-c3cnc(Cn4ccnc4)s3)c(C(=O)O)ccc21 | CC(C)n1c([C@H](O)c2nc3ccccc3n2C)nc2ccccc21 | O=C(O)c1ccccc1-c1cnc(Cn2ccnc2)s1 |
CCc1n[nH]c(SCC(=O)Nc2ccccc2C)n1 | Cc1ccccc1NC(=O)CS | CCc1n[nH]c(SCC(N)=O)n1 |
COCCN(Cc1ccc(NC(=O)C[C@H](C)NC[C@@](C)(O)c2cc(C)oc2C)c(C)c1)c1ccc(C#N)nc1 | Cc1ccc(NC(=O)C[C@H](C)NC[C@@](C)(O)c2cc(C)oc2C)c(C)c1 | COCCN(Cc1ccccc1)c1ccc(C#N)nc1 |
O=C(c1ccc[nH]1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 | O=Cc1ccc[nH]1 | c1ccc2[nH]ccc2c1 |
CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3c(C(N)=O)sc4ncccc34)C2)cc1 | NC(=O)c1sc2ncccc2c1[C@@H]1CCN(C=O)C1 | CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 |
CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)cc2C)C1=O | Nc1ccccc1 | COc1ccc(C)c(C)c1 |
Fc1cc(CNCc2cc(-c3ccccn3)on2)c2occc2c1 | Fc1ccc2occc2c1 | c1ccncc1 |
CC1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 | CC1CCNCC1 | O=C[C@H]1CCCO1 |
CCOC(=O)C1(O)CCN(C(C)C(=O)Nc2c(Cl)cc([N+](=O)[O-])c3c2CN(C(=O)[C@@H](C)NC(=O)c2cnn(C)c2)[C@H](CN(C)C)CO3)CC1 | C[C@@H](NC(=O)c1cnn(C)c1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C | CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 |
CN1N=C(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)CCC1=O | O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCCCCC1 | CN1N=C(C(=O)Nc2ccccc2OCC(F)(F)F)CCC1=O |
Cc1ccc(Sc2ccc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(C)c1 | Cc1ccc(S)c(C)c1 | NC(=O)c1ccc(N)cc1 |
CC(C)N1CCO[C@@H](CC(=O)NCc2nc(Cc3ccccc3)no2)C1 | CC(=O)NCc1nc(Cc2ccccc2)no1 | CC(C)N1CCO[C@@H](CC(=O)NCc2ncno2)C1 |
COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC | C[C@H](NC(N)=O)c1ccc(F)cc1 | CCNC(=O)Nc1ccc(OC)c(OC)c1 |
CCCO[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2OCC(=O)NCC2=CCCN(C3C=CCCC3)C2)C1 | CCCO[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1 | O=C(COc1ccccc1)NCC1=CCCN([C@H]2C=CCCC2)C1 |
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 | CC(C)(C)C=O | NC(=O)CN1CCNCC1 |
Cc1c(C(=O)NCC(N)C2CC2)nnn1-c1cc2c(c(O)c1/C=N/N=C\c1cc(I)cc(I)c1O)OCCO2 | Oc1ccccc1/C=N/N=C\c1cc(I)cc(I)c1O | Cc1c(C(=O)NC[C@@H](N)C2CC2)nnn1-c1ccc2c(c1)OCCO2 |
CS(=O)(=O)c1cnn(CC(=O)Nc2nc3ccc(Cl)cn3n2)c1 | C[SH](=O)=O | Clc1ccc2ncnn2c1 |
Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)o1 | CCc1ccc(C)o1 | C1CC[C@]2(CCSC2)OC1 |
CSc1ccccc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 | O=CN1CCCC[C@@H]1CN1CCOCC1 | CSc1ccccc1C(=O)N1CCCCC1 |
Cc1cc(C)n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2n1 | Cc1cc(C)n2nccc2n1 | C1C2CC3CC1CC(C2)C3 |
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c(C)c1 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)[nH]c3C)C2=O)c1 | COC(=O)c1ccc(-n2c(C)cc(C)c2C)c(C)c1 |
CN(Cc1ccccc1)C(=O)c1ccc(-n2cnnn2)cc1 | O=Cc1ccc(-n2cnnn2)cc1 | CN(Cc1ccccc1)C(=O)c1ccccc1 |
O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 | c1ccc(-n2ncnc2C2CC2)cc1 | O=S1(=O)CCCC1 |
O=C(NCCn1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2cccnc21)C1CC1 | CCNC(=O)C1CC1 | Cc1cccc(F)c1F |
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 | C[C@H](C=O)N1CCN(S(=O)(=O)c2cccs2)CC1 | C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCNCC1 |
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1Br | CCOc1ccccc1Br | Cc1ccccc1C(=O)O |
CC(C)c1noc([C@H](Nc2ccc(C#N)nn2)C2CCOCC2)n1 | CC(C)c1ncon1 | N#Cc1cccnn1 |
COc1c(-c2cncnc2)cc(C)c(-c2c(-c3ccccc3)ncn2C(C)C(N)=O)c1CC(=O)N1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 | COc1ccc(C)cc1CC(=O)N1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 | C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1-c1ccc(-c2cncnc2)cc1 |
COc1ccccc1OCCNC(=O)c1cc(F)c(CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOC(c2c(CNC(C)=O)cnc3cc(C)nn23)C1 | COc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 | CC(=O)NCc1cnc2cc(C)nn2c1[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCO1 |
Cc1ccc(OCCC(=O)Nc2ccc(C#N)cc2)c(C)c1 | Cc1cccc(C)c1 | N#Cc1ccccc1 |
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2-c2cc(Cl)c(Cl)cc2CN2CCC3(CC2)CC(C)(O)C(O)CO3)ncn1 | Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)ncn1 | C[C@]1(O)CC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)OC[C@@H]1O |
CCc1onc(C)c1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 | CCc1cc(C)no1 | c1nc(C2CC2)no1 |
CC(=O)NC1CN(c2nccc(N)n2)CC1c1ccc([C@H](O)CC(=O)NC[C@H]2CCCN2)cc1F | O=C(C[C@@H](O)c1cccc(F)c1)NC[C@H]1CCCN1 | CC(=O)N[C@@H]1CN(c2nccc(N)n2)C[C@H]1c1ccc(C)cc1 |
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 | CC(C)c1ccccc1 | c1ccc2c(c1)OCCO2 |
CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O | O=C1NC(=O)[C@]2(CCOc3ccccc32)N1 | C[SH](=O)=O |
COc1ccc(OCCSCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 | O=C(CS)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 | COc1ccc(OCCSCC(=O)N2CCNCC2)cc1 |
CCC#CCN1C[C@H]2CN(C(=O)COCC)C[C@]2(CCc2ccccc2)C1 | CCC#CCN1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 | CCC#CCN1C[C@H]2CN(C(=O)COCC)C[C@@H]2C1 |
COc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1 | Cc1ccccc1-c1nnn(CC(N)=O)n1 | COc1ccc(Cl)cc1NC(=O)Cn1ncnn1 |
CNC(=O)NC1CN(C(=O)c2ccccc2-c2cc(F)ccc2CC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)C1 | CNC(=O)NC1CN(C(=O)c2ccccc2-c2ccccc2C)C1 | Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1 |
CCCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O | CCCCCCCCCCCCO | CC(N)=O |
COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cn2nc(C)nc2C)cc1OC | Cc1nc(C)n(CC(=O)N2CCO[C@@H](CO)C2)n1 | COc1ccc([C@@H]2NCCO[C@H]2CO)cc1OC |
CCCOc1c2c(c([C@H]3C(C(=O)OCC)=C(C)N=C4SCCC(=O)N43)c(CC(=O)NCCC(=O)N3CCCC3)c1OCC)CCCC2 | CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OCC | O=C(Cc1ccc2c(c1)CCCC2)NCCC(=O)N1CCCC1 |
CCNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(C)n1 | CCNc1ccnc(C)n1 | O=Cc1ccc(F)cc1 |
O=C(Nc1ccccn1)c1cccs1 | c1ccncc1 | c1ccsc1 |
Cc1cnc(C)c(-c2cc(C(C(=O)N3CCCC[C@H]3C(=O)O)N3CC=C(c4ccc(F)cc4)CC3)c(O)c3c2OCO3)n1 | O=C(O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 | Cc1cnc(C)c(-c2ccc(O)c(CN3CC=C(c4ccc(F)cc4)CC3)c2)n1 |
CCOc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc(OCC)c1OCC | CCOc1cccc(OCC)c1OCC | Cc1cc(C)cc(C)c1 |
Cc1nc(-c2c(C)ccc(C(=O)OCCC(=O)N(C)C)c2N[C@@H](C(=O)N2CCOCC2)c2ccccc2)cs1 | Cc1ccc(C)c(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 | Cc1nc(-c2cccc(C(=O)OCCC(=O)N(C)C)c2)cs1 |
CS(=O)(=O)Nc1cc(NC(=O)NCc2ccccc2)ccc1F | O=C(NCc1ccccc1)Nc1ccc(F)cc1 | CS(=O)(=O)Nc1cc(N)ccc1F |
Cc1cccc(CN2CCc3ncc(Cn4cccn4)n3CC2)n1 | CN1CCc2ncc(Cn3cccn3)n2CC1 | Cc1cccc(CN2CCc3nccn3CC2)n1 |
C[C@H](C(=O)Nc1ncccn1)N1CCS[C@H](c2ccccc2)C1 | CCN1CCS[C@H](c2ccccc2)C1 | C[C@H](C(=O)Nc1ncccn1)N1CCSCC1 |
COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 | COc1ccccc1 | NS(=O)(=O)c1ccccc1 |
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 | CNS(=O)(=O)c1ccc(C)cc1 | Nc1c(F)c(F)c(F)c(F)c1F |
CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H](C#N)c1cccc2ccccc12 | O=C(Nc1nccs1)c1cccs1 | c1ccc2ccccc2c1 |
CN(CC[C@H](O)c1ccccc1)CCC1(O)CCCC1 | CCN(C)CCC1(O)CCCC1 | CCN(C)CC[C@H](O)c1ccccc1 |
CCOCCCNC(=O)c1nc(C)ns1 | CCOCC | Cc1ncsn1 |
Cc1nn(C)cc1C(=O)N1c2ccc(N(C)CC(C)NS(=O)(=O)Cc3ccon3)cc2N(C)CC[C@H]1C | Cc1nn(C)cc1C(=O)N1c2ccccc2N(C)CC[C@H]1C | C[C@@H](CN(C)c1ccccc1)NS(=O)(=O)Cc1ccon1 |
COc1ccc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)c(OC)c1 | COc1cccc(OC)c1 | Cn1cc(Cl)cn1 |
CCOc1cc(N2CCCC2=O)c(C(=O)NC2CS(=O)(=O)CC2N2CCCCC2)cc1OCC(=O)Nc1cccnc1 | O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccnc1 | CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1OCC |
CC(C)NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1 | CC(=O)NC(C)C | Fc1ccccc1 |
CC[C@](C)(CCO)NC(=O)c1ccc2c(c1O)C(=O)c1cc(N(C)C)cc(N(C)C)c1C2=O | CC[C@](C)(CCO)NC(=O)c1ccccc1O | CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O |
Cc1csc([C@@H]2CCCCN2C(=O)c2ccco2)n1 | O=C(c1ccco1)N1CCCCC1 | Cc1csc([C@@H]2CCCCN2)n1 |
CCC(Oc1ccc(/N=N\c2c(N)nc(N)nc2O)cc1OC)C(=O)NCc1ccccc1C | Nc1nc(N)c(/N=N\c2ccccc2)c(O)n1 | CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C |
COc1ccc(C(CNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)SCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC | COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC | CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1 |
CN(C(=O)CSc1ccccc1C(=O)NCC(=O)C(C)(C)C)c1ccccc1 | CN(C=O)c1ccccc1 | CC(C)(C)C(=O)CN |
O=C(Cc1csc(-c2ccccn2)n1)N1CCC[C@H]2CCCC[C@H]21 | O=C(Cc1cscn1)N1CCC[C@H]2CCCC[C@H]21 | O=CCc1csc(-c2ccccn2)n1 |
Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 | Cc1ccn(C(F)F)n1 | Cc1ccccc1 |
CC[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cc(-c2cnn(C)c2)c(Br)cc1OCC(=O)NC1CCCCC1 | CC[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(Br)cc1 | Cn1cc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cn1 |
COCCNC(=O)c1c(F)c(F)c(F)c(F)c1F | CCOC | Fc1cc(F)c(F)c(F)c1F |
Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NS(=O)(=O)c1ccccc1 | Cc1cc(C=O)ccc1NS(=O)(=O)c1ccccc1 | Cc1cc(C(=O)Nc2cccc(F)c2)ccc1N |
CN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccc(Cl)c(C(C2CCOCC2)N2CCOC[C@@H]2c2ccn[nH]2)c1 | c1cc([C@H]2COCCN2CC2CCOCC2)[nH]n1 | Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)ccc1Cl |
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