p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C(F)(F)F | Cc1cc(C)cc(CCC(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)c1 | 0.412865 |
COc1cc2c(cc1OC)[C@@H](C)N(c1ncnc(N)c1[N+](=O)[O-])CC2 | CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 | 0.570064 |
CC[C@H](CSC)N(C)CCCCCn1nnc(-c2ccccc2)n1 | COc1cccc(/C=N/OC(=O)c2ccccc2)c1 | 0.196694 |
COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2F)OC)c1 | O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCCCC1 | 0.339674 |
O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc2c(c1)OCO2 | Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)no1 | 0.63745 |
O=[N+]([O-])N=C1N[C@@H]2Nc3nonc3N[C@H]2N1 | Cc1noc(CN2CCC(c3c[nH]c4ccccc34)CC2)n1 | 0.394314 |
Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)c(C)c4)c(=O)c23)s1 | CN1CC[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2C1 | 0.48 |
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)NC(=O)N1 | N#Cc1csc(CNCCCN2CCC(O)CC2)c1 | 0.307134 |
CO[C@@]1(C)C[C@H](N(C)C(=O)CCC2CCNCC2)C1(C)C | Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)O)c1 | 0.328632 |
CCSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O | O=C(NCc1ccon1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 | 0.424658 |
c1ccc2c(OCCNC3CC3)cccc2c1 | O=C(Nc1ccc(-n2cccn2)nc1)N1CC[C@@H](c2ccccc2)C1 | 0.218707 |
C=CCNS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 | CC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 | 0.352941 |
CN(C)CC(=O)Nc1ccccc1NC(=O)Cn1nc2ccccc2n1 | OCC1(Cc2ccccc2)CCN(Cc2c[nH]nc2C2CCCCC2)CC1 | 0.365435 |
COc1ccc(C)cc1NC(=O)COc1c(C)cc(Br)cc1Cl | O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C(F)F)cc1F | 0.454971 |
COC[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 | Cc1nnc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)o1 | 0.541711 |
CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1OC(C)=O | CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c1C | 0.597062 |
COc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1 | O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN1C(=O)c1cccs1 | 0.491972 |
CCCCCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F | O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)c1ccc(Cl)cc1 | 0.429229 |
CN(C(=O)c1ccc(N2CCCCS2(=O)=O)cc1)[C@H]1CCCC[C@H]1O | O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1c(F)cc(F)cc1F | 0.480552 |
Cc1cc(O)c(C(=O)N2CCC[C@H]2CNC(=O)C2CC2)nn1 | COc1ccc(OC)c2c1nc1n2[C@@H](O)C=C(c2ccccc2)S1 | 0.543094 |
Cc1nccc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 | Cc1cnccc1N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 | 0.435096 |
COCC1(NC2CCC3(CCNCC3)CC2)CCCC1 | COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 | 0.265931 |
CC/C(NCCCO)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O | COCc1nc(N(C)Cc2sccc2C)cc([C@H]2C[C@H](N)C2)n1 | 0.505507 |
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C | NC(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2CO)cc1 | 0.343639 |
NC(=O)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 | Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(C#N)c3)cc2)cc1 | 0.42362 |
O=C1CC[C@@H](N2Cc3cc(NC(=O)N4Cc5cccc(F)c5C4)ccc3C2=O)C(=O)N1 | O=C([C@@H]1CCCCN1C(=O)c1ccco1)N1CC[C@H](n2cc(Cl)cn2)C1 | 0.660999 |
CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 | COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc12 | 0.424315 |
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2Cc2cccnc2)c1)[C@H]1Cc2ccccc2O1 | O=c1c2ccccc2nc(O)n1N=Cc1cc(Br)ccc1OCc1ccc(F)cc1 | 0.625133 |
CCOC(=O)/C=C/C(=O)OCc1cc(=O)oc2cc(OC)ccc12 | CCCC(=O)N1CCC(Cc2nc(CC)no2)CC1 | 0.286472 |
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] | O=C(COc1ccc(N2CCCC2)nn1)NCC[C@H]1COc2ccccc2O1 | 0.509534 |
Cc1nn(C)c(Cl)c1CN(C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 | Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cn4cncn4)c3)CC2=O)c(C)c1 | 0.47669 |
COc1ccc(CCC(=O)Nc2ccccc2C(C)=O)cc1 | Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1C | 0.380336 |
COc1ccccc1CN1CC[C@H](c2nnc(-c3ccncc3)o2)C1 | C=CC(=O)N1CCC(C(=O)NCC2(C)OCCO2)CC1 | 0.286067 |
Cc1ccc2cnn(CCCNC(=O)[C@@H]3CSCCC(=O)N3)c2c1 | NC(=O)c1nccnc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 | 0.517241 |
Cc1nonc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 | COc1cc2c(c(OC)c1OC)[C@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 | 0.536876 |
C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2C#N)C1 | COc1cccc(CN2CCN(CCCc3ccccc3)C[C@@H]2CCO)c1 | 0.400222 |
COC[C@H](C)NC(=O)c1c(CC2CCCC2)n(Cc2cccnc2)c(C)cc1=O | CCc1cnc(C)nc1N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C | 0.542497 |
CC[C@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 | C[C@@H]1C[C@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1 | 0.400243 |
COc1ccccc1OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 | c1ccc(COc2cccc3cn[nH]c23)cc1 | 0.362944 |
Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 | CC[C@H](C)c1ccc([C@@H](NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1 | 0.5054 |
O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCCS1 | CCCOCc1cc(C(=O)CC)ccc1OC[C@H](O)CNC(C)(C)C | 0.354659 |
Nc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 | Cc1c(F)cccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 | 0.456938 |
C=CC(=O)N[C@@H]1C[C@H](O)C12CCOCC2 | Cc1c(C(=O)NCCCN2CCCCCC2=O)cnn1-c1ccc(Br)cc1 | 0.321795 |
Cc1ccc(C(=O)N2CCC(n3cnc(C(=N)O)c3N)CC2)c(Cl)c1 | COc1ccc(OC)c(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)c1 | 0.553611 |
O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1 | CCN1CCN(c2ccc(N[C@H](C)c3nc(C(C)(C)C)no3)c(C)c2)CC1 | 0.442055 |
CN1[C@@H](C(=O)O)C[C@@H](C(=O)N2CCc3ncccc3C2)[C@H]1c1ccccc1F | CC[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1N1CCOCC1 | 0.589529 |
Cc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1C | Cc1cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)ccc1Cl | 0.526498 |
CN(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)cc1 | C[C@@H]1CCSCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C | 0.499394 |
CSc1ncc(CNC(=O)C2(N3CCOCC3)CCCCC2)n1C | O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1F | 0.467204 |
COc1ccc(-n2ccn(CCC(C)C)c(=O)c2=O)cc1 | CC(C)C[C@@](C)(NCCc1ccc2c(c1)CCO2)C(N)=O | 0.358799 |
CCOC(=O)c1sc(C)c2c(=O)n(CC(=O)c3ccc(Br)cc3)nnc12 | CCN(CCCOCc1ccccc1)C[C@H]1CCCCO1 | 0.275109 |
O=C(Nc1ccnn1C1CCCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 | CN(C)[C@H](C(=O)N1CCN(CCCCO)CC1)c1ccccc1F | 0.387136 |
CO[C@H](c1ccccc1)c1noc(CN)n1 | COCCCN1CC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CC1=O | 0.289513 |
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 | C[C@@H](c1nnc(SCC(=O)N2CCCC2)n1-c1ccc(F)cc1)N1CCCCC1 | 0.699799 |
CCn1ncc(C(=O)N2CCC[C@@]2(COC)C(=O)NC)n1 | O=C1CCCC2=C1[C@H](c1ccccc1F)c1c(nn(-c3ccccc3)c1O)N2 | 0.702756 |
Fc1ccc([C@@H]2OCC[C@@H]2Nc2ncnc3[nH]ccc23)cc1F | O/C(=N/Cc1cn2ccsc2n1)[C@@H]1C[C@]12CCOc1ccccc12 | 0.616339 |
O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 | O=[S@](Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1 | 0.445087 |
O=C(CN1CCN(Cc2ccsc2)CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 | Cc1ccc(/N=N\c2c(N)nc(N)nc2N)cc1C | 0.345912 |
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 | COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccc(F)cc1 | 0.377807 |
Cc1noc(C)c1CCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | CN1CC[C@@H](NC(=O)c2csc3ccccc23)C1 | 0.497835 |
CNC(=O)C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2ccnn21 | CC(C)CNC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1 | 0.502114 |
CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)N(C)C1 | Cc1cccc(C)c1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 | 0.444832 |
COCCNC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 | CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2 | 0.520591 |
CC1CCC(=Cc2nc(-c3cncs3)no2)CC1 | COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 | 0.431591 |
C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 | O=C(CCCOc1ccccc1)Nc1ccc(C(=O)O)cc1 | 0.328767 |
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 | CC(C)[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1 | 0.515707 |
C1=Cc2ccccc2[C@@H](CNC[C@H]2COc3ccccc3O2)O1 | CCc1noc(C)c1C(=O)Nc1ccc(-c2nnn[nH]2)cc1 | 0.432941 |
CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 | C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2CCCC2)CC1 | 0.243396 |
Cc1cc(C)cc(CCC(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccc3)C2)c1 | N#Cc1ccccc1OC/C=C/COc1ccccc1C#N | 0.231481 |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(C)n1 | FC(F)c1cc(Nc2ccc3c(c2)CNCC3)n2ncnc2n1 | 0.571739 |
CN1CC[C@@H]1CNC(=O)c1cc2c(F)ccc(F)c2[nH]1 | CC(C)n1ncc2cc(CNc3nc4cc(F)ccc4n3C)cnc21 | 0.556167 |
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cccnc1 | CCOc1ccccc1N(C)Cc1cc(-c2cnn(C)c2)no1 | 0.468227 |
Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncccn3)cc2)n1 | O=C(Cc1ccc(F)cc1)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 | 0.393359 |
Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCCO4)c2cc1C(C)C | O=C(Cn1nccn1)N1CCN(c2ccncc2)C[C@H](O)C1 | 0.422843 |
CCc1ccc2occ(C(=O)N3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)c2c1 | CCN(CC)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)c(C)c1 | 0.573894 |
O=C1NCCC2=C1Cc1ccc(I)cc12 | Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4)nc3C)CCCCC2)no1 | 0.573262 |
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(OC)c3)CC2)cc1 | Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c2)cc1 | 0.568478 |
Cc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c2cc(F)ccc2n1 | Cc1cccc(N2C(=O)S[C@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)c1 | 0.528509 |
CC(=O)NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 | O=C([C@H]1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc2O1)N1CCOCC1 | 0.524013 |
COc1ccccc1N1C[C@H](C(=O)Nc2nnc(COc3ccccc3)s2)CC1=O | Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1ncon1 | 0.581395 |
CCNc1ncc(C(=O)N2CCC[C@H](COc3ccccc3)C2)cn1 | CC(C)Oc1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1 | 0.421671 |
CON(C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3C(F)(F)F)C2)cc1 | CN(C)c1ccc(-c2cccc(C(=O)N[C@@H]3CCNC3)c2)cc1 | 0.437086 |
O=C(NCc1ccco1)C1(n2cnnn2)CCCCC1 | COc1cccc([C@H](C)N(C)C(=O)CSc2ccccc2NC(C)=O)c1 | 0.451119 |
O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1Cl | C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 | 0.335868 |
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1cccc([N+](=O)[O-])c1 | C[C@@H](CCn1cccn1)NCc1cccc2nsnc12 | 0.415385 |
CCC(C)(C)NC(=O)CSc1nc(C)cc(N)n1 | CN1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 | 0.376598 |
Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(F)c1 | CSCC[C@H](N)C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1 | 0.301493 |
CC1=NN[C@H]2N[C@@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@H]12 | Cc1cccc(-n2c(C)nnc2S[C@@H](C)C#N)c1 | 0.48265 |
Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 | COc1cc([C@H](C)O)cc(OC)c1OC[C@@H]1C[N@]1CC1CC1 | 0.443886 |
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)o2)cc1 | CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)NCCN1CCCOCC1 | 0.610224 |
COc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cn1 | O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(CN2CCCC2)o1 | 0.452852 |
O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1c(-n2cnnn2)sc2c1CCC2 | NC(=O)C1CCN(C(=O)CN2CCC[C@H]3CCCC[C@@H]32)CC1 | 0.314374 |
COCCN(CCOC)Cc1c(O)ccc2c(O)c(-c3ccc(OC)cc3)c(=O)oc12 | CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 | 0.374029 |
Cc1nn(C)c(C)c1CCC(=O)Nc1c[nH]ccc1=O | C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCO1 | 0.360164 |
O=c1[nH]c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2scc(-c3ccco3)c12 | COc1cccc(CN2CCC[C@@H](NC(=O)CCN3CCCC3=O)C2)c1 | 0.436147 |
COC(=O)c1c(O)cccc1/C=C/c1ccncc1 | COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 | 0.337224 |
COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)cc(OC)c1 | O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@@H]13)O2 | 0.629553 |
O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 | COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)[nH]c3=O)CC2)cc1 | 0.476788 |
Cc1cnc(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)o1 | CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCCCCCC2)CC1 | 0.302247 |
COC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OC)c(N)oc3cc12 | C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC1=O | 0.451892 |
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