p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
Cc1c(-c2ccccc2)sc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c12 | Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)n1 | 0.679265 |
O=C(CCCOc1ccc(F)cc1F)N1CCC[C@@H](n2ccnc2)C1 | CC(C)N(C)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F | 0.457587 |
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)c1 | Cc1cc(C(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)c(=O)[nH]c1C | 0.538381 |
CCOc1ccccc1C(=O)N1c2ccccc2C[C@H]1C(N)=O | Cc1nc2nc(NC(=O)c3cccc(Cl)c3)nn2c(O)c1C | 0.6149 |
COc1ccccc1CCN(C)C(=O)[C@@H]1Cc2ccccc2CN1 | CC1(C)C(=O)NCCN1Cc1c(C(=O)O)oc2ccccc12 | 0.531395 |
O[C@H](COC[C@H]1C[C@@H]2CC[C@@H]1C2)CN1CCN(c2cccc(Cl)c2)CC1 | CN1C(=O)C(c2ccc(F)cc2)=N[C@@]12CCCNC2 | 0.392689 |
CCc1coc(C(=O)N2C[C@@H]3CC[C@@]4(NC(=O)c5cc(C)ccc5N4)[C@H]3C2)c1C | O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cn1nnc2ccccc2c1=O | 0.825099 |
CCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 | CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(C(=O)O)n[nH]1 | 0.585162 |
Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 | O=C(c1c[nH]nc1-c1ccccc1F)N1CCN2CCOC[C@@H]2C1 | 0.381132 |
O=C(NCCN1CCC(O)CC1)Nc1cscc1Br | CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(C#N)cc1 | 0.386404 |
CCC1=NO[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 | CCCC(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4)sc3C)ccc21 | 0.461707 |
CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 | CN(CCc1cnn(C)c1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 | 0.715447 |
C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(C)C1CCCCCC1)C2=O | Cn1nc(-c2ccccn2)cc1CNC(=O)c1ccc2c(c1)OCO2 | 0.462389 |
Cc1n[nH]c(C)c1CN(C)Cc1ccncc1 | C=CCNCCCOc1ccc(Br)cc1Cl | 0.163561 |
NC(=O)CS(=O)(=O)Cc1ccc(Br)c(Cl)c1 | CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)n2nnnc2N1 | 0.31677 |
CCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccccc2)cc1 | Cc1csc2nc(CN3CCN(C(=O)N4CCOCC4)CC3)cc(=O)n12 | 0.430351 |
Cc1nc([C@H]2CCNC2)nc2c1CC(=O)N2CC1CCCCC1 | COc1ccc(CNC(=O)C2CCN([C@@H](C(=O)O)c3ccc(F)c(C)c3)CC2)cc1 | 0.532311 |
COC(=O)CCNC(=O)Nc1cc(Cl)ccc1Cl | Cc1nn(C)c(C)c1CCC(=O)NCCn1c(C)nc2ccccc21 | 0.285896 |
COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)cc1 | COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 | 0.444575 |
C=C(Cl)CN1CCC(C(=O)N(C)C)CC1 | CC1(C)NC(=O)N(CC(=O)NC2(c3ccc(F)cc3)CCCC2)C1=O | 0.243972 |
O=C1Nc2ccc(Br)cc2/C1=N/N1CCOCC1 | COc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O | 0.485242 |
CCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1 | Cc1ccc(/C=C/C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 | 0.276158 |
Cc1cccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1C | Cc1nc(CN2CCN(Cc3nc(CCc4ccccc4)no3)CC2)cs1 | 0.491718 |
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O | CS(=O)(=O)Nc1cccc2c1CCCN2Cc1nc2ccccc2o1 | 0.650615 |
COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 | CN(Cc1noc(-c2ccsc2)n1)[C@@H]1CCSC1 | 0.493737 |
COc1cccc(CN(C)S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 | C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccs1 | 0.450888 |
COCCCNC(=O)COc1nn(-c2ccccc2)cc1C | CCCCN1C[C@H](C(=O)Nc2cccc(NC(C)=O)c2)CC1=O | 0.31935 |
COC[C@](C)(CC(=O)O)NC(=O)c1ccc(Br)cc1 | O=C(NC[C@@H](O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 | 0.391123 |
CN(C)C[C@]12CN(C(=O)Cc3cccs3)C[C@H]1CN(C(=O)c1cncc(F)c1)C2 | Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] | 0.495556 |
CCn1ncc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C(N)=O | Cc1cc(Cc2ccccc2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1 | 0.558792 |
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCCN1C(=O)c2ccccc2C1=O | NC(=O)CN1CCC(NS(=O)(=O)CCOc2ccccc2)CC1 | 0.317694 |
CCc1ccc(S(=O)(=O)NC(=O)NC[C@@](C)(O)C2CCC2)cc1 | O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Br)C1 | 0.444118 |
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 | COc1ccc(C2(C(=O)N(CCN(C)C)Cc3cnc[nH]3)CCCC2)cc1 | 0.524684 |
CCCN1C(=O)N/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O | O=C(c1cc2ccccc2o1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2 | 0.581296 |
Cc1nc(C(C)(C)NC(=O)CCCNC(=O)C2CC2)sc1C | Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](O)C4(CC4)C3)cc2)n1 | 0.414035 |
C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 | C=CCN(C(=O)Cn1cnc2sccc2c1=O)c1nc(-c2ccccc2)cs1 | 0.536278 |
Cn1cc(C[N@]2C[C@@H]2COc2ccc3c(c2)OC(C)(C)CC3)cn1 | C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1n1ccnc1 | 0.407134 |
Cn1c(=O)[nH]c2c3c(sc2c1=O)CCCC3 | CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1C | 0.714863 |
CCN(CC)C(=S)S[C@H]1CCOC1=O | COc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1OC | 0.260809 |
O=C(O)CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 | CCn1nc(C)cc1S(=O)(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 | 0.69697 |
Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C | COC(=O)c1c(NC(=O)CN2CCN(S(C)(=O)=O)CC2)sc(C(N)=O)c1C | 0.621086 |
Cc1nc(O)ccc1C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 | CCc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O | 0.585576 |
Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 | COC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C | 0.64738 |
N[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1 | Cc1ccc([C@H]2CCN(C(=O)CCc3ccccn3)C2)c(C)c1 | 0.289157 |
Cn1ccnc1CC1CCN(C[C@H](O)Cn2cccn2)CC1 | COc1ccccc1NC(=O)c1nn(-c2ccc(C)cc2)ccc1=O | 0.374262 |
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C | Cc1ccccc1-n1c(S)nnc1-c1cccs1 | 0.413194 |
CN(CCS(=O)(=O)CCC(N)=O)[C@H]1CCCc2ccccc21 | CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc[nH]2)C1(CC)CC | 0.40824 |
COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1 | Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc2c(c1)OCO2 | 0.452459 |
O=C(O)c1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 | Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc([N+](=O)[O-])c1 | 0.468384 |
C[C@H](c1nnnn1-c1ccccc1)N1CCN(c2ncccn2)CC1 | Nc1ccnc(N2CCC[C@](Cc3cccc(Cl)c3)(C(=O)O)C2)n1 | 0.518868 |
O=C(C1CCN(Cn2c(=O)oc3ccccc32)CC1)N1CCCC1 | CC[C@H](NC(=O)N1CCN(c2ccc3nccn3n2)CC1)c1cccc(C)n1 | 0.501608 |
O=C(NCCC(=O)N1CCN(c2nccs2)CC1)NC12CC3CC(CC(C3)C1)C2 | CCOC(=O)[C@H]1O[C@@H]1c1cc([N+](=O)[O-])ccc1Cl | 0.362745 |
CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2c[nH]c3ccccc23)n2c1nc1ccccc12 | Cn1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nn1 | 0.44713 |
CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(C)cc(C)c1 | Cc1cc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1-n1cccn1 | 0.346025 |
Cc1[nH]nc(CCC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)c1C | COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Br)cc1 | 0.396573 |
C=CCOc1ccccc1CN1CC(=O)N(Cc2cccnc2)C[C@H](O)C1 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 0.54259 |
CC(C)N[C@H]1CCCN(C(=O)c2ccc(CSc3nccn3C)o2)C1 | C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 | 0.585774 |
COc1ccc2cc(CN(C)[C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 | O=C(NC[C@@H](O)c1ccccc1)C(=O)NC1CC1 | 0.350626 |
O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(N2CCOCC2)cc1 | CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCOCC2)cc1 | 0.337758 |
CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 | COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)c4ccccc4)nn3cn2)cc1 | 0.540717 |
c1ccc2oc(N3CCC(c4nnc(C5CC5)o4)CC3)nc2c1 | COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C | 0.521978 |
O=C(NCCCn1cc(Cl)cn1)c1cccn1C1CC1 | C[C@H](N(C)C(=O)CCn1cnc2sccc2c1=O)C(C)(C)C | 0.457245 |
Cc1cccc(CCN2CCC([C@H](O)CO)CC2)n1 | O=C(c1ccco1)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O | 0.339764 |
COc1ccc(N2C[C@H](NC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 | CC(C)(c1ccc(O)cc1)c1ccc(O)c(C(=O)O)c1 | 0.315327 |
NC(=O)[C@H]1CCCN1Cc1csnn1 | C[C@H](NC(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1)c1cccs1 | 0.320681 |
CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NC)C1 | C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1cccc2ccccc12 | 0.327044 |
C[C@@H](NC(=O)N[C@@]1(C)CCOC1)[C@@H](C)Oc1ccccc1 | CCc1cc2c(Sc3ncccc3C(=O)O)ncnc2s1 | 0.331002 |
COCC(=O)N1CCN(Cc2ccoc2)C[C@H](C(=O)O)C1 | Cn1ncc(N2CC[C@@H](CNC(=O)c3cc(F)ccc3Cl)C2)cc1=O | 0.390488 |
Cc1cc(CC(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)no1 | CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nnc(O)o2)C1)c1ccc(F)cc1F | 0.627933 |
C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Br)cc1 | O=C(c1cccs1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 | 0.430246 |
O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1Cc2ccccc2O1 | O=C1NCCN(C(=O)c2cccc3cccnc23)[C@@H]1Cc1ccc(-c2cccs2)cc1 | 0.597444 |
O=C(C[C@@H]1N=C(O)N(Cc2ccccc2)C1=O)N[C@@H](CO)c1ccccc1 | Cn1nccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 | 0.444313 |
O=C1CN=C(c2ccc(Br)cc2)c2oc3ccccc3c2N1 | COc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 | 0.508547 |
O=C1NC[C@]2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)Oc2ccccc21 | COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1C | 0.542703 |
O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccnc1 | CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 | 0.623085 |
CCCSCc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 | C=CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(C)c(=O)n2C | 0.674822 |
CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 | CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccn3nnnc23)cc1 | 0.549894 |
O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC=CCC1 | CCc1ccc(NC(=O)C2=C3CCCN3c3cc(Br)ccc3S2(=O)=O)cc1 | 0.511992 |
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1Cl | O=C(O)Cc1cc(OC(F)F)cc(Cl)c1Cl | 0.429621 |
Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCN4CCOCC4)c(C)c3cc2c1C | C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 | 0.663244 |
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCN(C)CC1 | Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C)c1 | 0.315476 |
C[C@H](NC(=O)c1ccc2ccccc2c1)[C@@H]1CCCO1 | CC[C@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CCO1 | 0.410345 |
O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC[C@H]1CCCO1 | O=C(CSc1n[nH]c(=O)n1-c1ccccc1)Nc1ccccc1-c1ccccc1 | 0.376225 |
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(C)c1 | CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc12 | 0.42595 |
C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)n1 | NC(=O)c1ccsc1NC(=O)Cc1ccc(Br)cc1 | 0.461092 |
CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(CN2CCCC2)c1 | CC(=O)OC[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C | 0.325062 |
CCc1ccc(CN2CCO[C@H](c3nncn3CC)C2)o1 | CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@@H]1CCCO1 | 0.543359 |
CCc1noc(CCC(=O)N2CCC(=O)N(C)c3cc(F)ccc32)n1 | C[C@@H]1CN(C(=O)CCc2nncn2-c2ccccc2)CCN1 | 0.435897 |
C[Si](C)(C)[C@@]12[C@H]3[C@@H]4[C@@H]5C[C@H]3[C@]36O[C@]53[C@H](C[C@@H]61)[C@@]42[N+](=O)[O-] | CCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC | 0.533609 |
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1ccccc1F | COc1ccccc1C(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 | 0.514439 |
Cn1c(=O)c2cc(NC(=O)c3ccccc3Cl)c(=O)oc2n(C)c1=O | Cc1ccc(C)c(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)c1 | 0.66359 |
C=C(C)CN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CCOC)C1=O | Cc1ccc(CNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 | 0.494382 |
c1cnc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)cs2)nc1 | COc1ccc(/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 | 0.281768 |
CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 | COc1ccc(CNC(=O)c2c(O)n3ccc(C)cc3nc2=O)cc1OC | 0.661491 |
CCCn1nc(C(=O)N2CCNC(=O)C2)ccc1=O | CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCCSC1 | 0.463134 |
O=C(Nc1cccnc1N1CCSCC1)c1ccccc1[N+](=O)[O-] | COc1ccc(N(CCCC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1 | 0.420746 |
CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)C[C@H]1CCCCO1 | CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 | 0.578288 |
Cc1nc(C)c(F)c(N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)n1 | C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ncccc12 | 0.520833 |
CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 | C[C@H](NC(=O)N[C@@H](C)c1cnn(C)c1)c1cccc(OC(F)F)c1 | 0.441365 |
Cc1ccc(-c2csc(NC(=O)CSc3nnc(NC[C@H]4CCCO4)s3)n2)cc1 | CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl | 0.439625 |
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