Mpro_final.csv

SMILES,affinity,target,top_2p,top_5p
B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2)C#N,7.00436480540245,Mpro,False,False
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[Au])O)O)O)O,7.00436480540245,Mpro,False,False
C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CCS=C2,9.314782808408731,Mpro,False,False
C=CC(=O)N(c1ccc(cc1)C(F)(F)F)C(c2cc(cnc2)C#N)C(=O)NCCc3cccc(c3)F,8.521096932731906,Mpro,False,False
C=CC(=O)N(c1ccc(cc1)C(F)(F)F)C(c2cc(cnc2)Cl)C(=O)NCCc3cccc(c3)F,8.314929708403117,Mpro,False,False
C=CC(=O)N(c1ccc(cc1)C(F)(F)F)C(c2cc(cnc2)O)C(=O)NCCc3cccc(c3)F,7.761046488562637,Mpro,False,False
C=CC(=O)N(c1ccc(cc1)C(F)(F)F)C(c2cccnc2)C(=O)NCCc3cccc(c3)F,8.213464227803739,Mpro,False,False
C=CC(=O)N(c1ccc(cc1)I)C(c2cncnc2)C(=O)Nc3ccc(cc3)Cl,8.560289809854556,Mpro,False,False
C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl,9.125525131805192,Mpro,False,False
C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl,8.821650682171224,Mpro,False,False
C=CC(=O)NCC(=O)N(CCN1CCOCC1)Cc2c(ccs2)Br,7.00436480540245,Mpro,False,False
C=CC(=O)NCC(=O)N(Cc1ccccc1)C[C@@H](c2cccs2)O,7.00436480540245,Mpro,False,False
C=CC(=O)NCC(=O)N(Cc1ccccc1)C[C@]2(CN3CCC2CC3)O,7.00436480540245,Mpro,False,False
C=CC(=O)NCC(=O)N(Cc1ccccc1O)C[C@@H]2CCCO2,7.00436480540245,Mpro,False,False
C=CC(=O)NCCC(=O)N(Cc1ccccc1)Cc2[nH]c(=O)c3ccccc3n2,7.00436480540245,Mpro,False,False
C=CC(=O)NCc1ccc(cc1)C(=O)N[C@H](CO)c2ccc(c(c2)F)Br,7.00436480540245,Mpro,False,False
C=CC(=O)Nc1cc(ccc1O)C(=O)NC[C@H](Cc2ccccc2)c3ccccn3,7.00436480540245,Mpro,False,False
C=CC(=O)Nc1ccc(c(c1)C(=O)NC[C@H](c2ccc3ccccc3c2)O)O,7.00436480540245,Mpro,False,False
CC(=O)N(CC(=O)Nc1ccc(c(c1)Cl)F)c2cccc(c2)C#N,7.00436480540245,Mpro,False,False
CC(=O)N(CC(=O)Nc1ccc(c(c1)Cl)F)c2cccc(c2)C(F)(F)F,7.00436480540245,Mpro,False,False
CC(=O)N(CC(=O)Nc1ccc(c(c1)Cl)F)c2cccc(c2)Cl,7.00436480540245,Mpro,False,False
CC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,9.05582459473048,Mpro,False,False
CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3,7.139373643263035,Mpro,False,False
CC(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,9.421418370504185,Mpro,False,False
CC(=O)NCCc1c[nH]c2c1cc(cc2)O,7.00436480540245,Mpro,False,False
CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)CCl,7.939046190874318,Mpro,False,False
CC(=O)Nc1ccc(cc1CN2CCN(CC2)C(=O)CCl)C#N,7.7571503172846334,Mpro,False,False
CC(=O)Nc1ccc(cn1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4,9.294210365981092,Mpro,False,False
CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CC(C)(C)N1C=CN(C1[Au]Cl)C(C)(C)C,9.931272854926664,Mpro,True,True
CC(C)(C)NC(=O)C(c1cccnc1)N(Cc2ccccc2Cl)C(=O)C=C,7.00436480540245,Mpro,False,False
CC(C)(C)NC(=O)C(c1cccnc1)N(c2ccc(cc2)CCC#N)C(=O)C=C,7.00436480540245,Mpro,False,False
CC(C)(C)NC(=O)C(c1cncc2c1cccc2)N(Cc3ccccc3Cl)C(=O)C=C,7.00436480540245,Mpro,False,False
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C=C,7.00436480540245,Mpro,False,False
CC(C)(C)c1cc(no1)N(C(c2cc(cnc2)C#N)C(=O)NCCc3cccc(c3)F)C(=O)C=C,7.976689595061736,Mpro,False,False
CC(C)(C)c1cc(no1)N(C(c2cc(cnc2)Cl)C(=O)NCCc3cccc(c3)F)C(=O)C=C,8.320833522301976,Mpro,False,False
CC(C)(C)c1cc(no1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)C=C,7.964102693606546,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cc(cnc2)C#N)C(=O)NCCc3cccc(c3)F)C(=O)C=C,8.607740162732759,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cc(cnc2)Cl)C(=O)NCCc3cccc(c3)F)C(=O)C=C,8.675141431140222,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cc(cnc2)O)C(=O)NCCc3cccc(c3)F)C(=O)C=C,7.581512084806438,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2ccccc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccco4,7.00436480540245,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC)C(=O)C=C,7.770095513701154,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCCSC)C(=O)C=C,7.8636306014234,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCSC)C(=O)C=C,7.184242839673249,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)C=C,8.47381271012418,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4c[nH]cn4,8.978989195374377,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4c[nH]nc4,8.315559791426226,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccc(o4)Cl,9.28843525323754,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4cccnc4,7.00436480540245,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccco4,9.34431624265052,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCc3ccc(cc3)F)C(=O)C=C,7.9785404402107964,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCc3ccccc3)C(=O)C=C,7.844213566835672,Mpro,False,False
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)Nc3ccc4c(c3)OCO4)C(=O)C=C,7.207216483672664,Mpro,False,False
CC(C)(C)c1ccc(cc1)N([C@@H](c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)C=C,8.526399387453877,Mpro,False,False
CC(C)(C)c1ccc(cc1)N([C@@H](c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccco4,9.38258674414759,Mpro,False,False
CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)C=C,7.098308622523987,Mpro,False,False
CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4ccco4,7.839608323059013,Mpro,False,False
CC(C)(C)c1ccc(cc1)c2nnc(o2)Sc3cnc(s3)[N+](=O)[O-],9.784606035386425,Mpro,True,True
CC(C)CCN1c2ccc(cc2C(=O)C1=O)Br,7.61477637101973,Mpro,False,False
CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2,10.587378985240786,Mpro,True,True
CC(C)C[C@@H]1CN(CCN1Cc2cccc(c2)Cl)C(=O)CCl,9.28843337299003,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(C3)c4ccccc4,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCCCC3,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCc4c3cccc4,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC3CCCO3,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCC3=CCCCC3,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3cc(ccc3OC)OC,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl,7.017969089132124,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccc4c(c3)OCO4,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccnc3,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccsc3C(=O)OC,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccc(cc4s3)OC,7.00436480540245,Mpro,False,False
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccccc4s3,7.00436480540245,Mpro,False,False
CC(C)N(C(C)C)C(=O)Cc1c(c2ccccc2[nH]c1=O)O,7.00436480540245,Mpro,False,False
CC(C)OCCCN(Cc1ccco1)C(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CC(C)Oc1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4c[nH]cn4,8.854775904125315,Mpro,False,False
CC(C)Oc1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4cnc[nH]4,8.854775904125315,Mpro,False,False
CC(C)c1ccncc1NC(=O)Cc2cccc(c2)Cl,7.578772256053196,Mpro,False,False
CC(CCc1ccccc1)N2CCN(CC2)C(=O)CCl,7.867003422645561,Mpro,False,False
CC(CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CC(COc1ccccc1OC)NC(=O)c2cc(=O)[nH]c3c2cc(cc3)F,7.561073267357958,Mpro,False,False
CC(Cn1ccnc1C#N)c2cccc(c2)Cl,7.00436480540245,Mpro,False,False
CC(c1cc(cc(c1)Cl)F)NC(=O)CCl,7.678748547704328,Mpro,False,False
CC(c1cc(cc(c1)Cl)c2ccc(cc2)S(=O)(=O)N)NC(=O)CCl,9.279329969132522,Mpro,False,False
CC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3,9.113778690124231,Mpro,False,False
CC1(CC1)c2ccc(cc2)N(C(c3cccnc3)C(=O)Nc4ccc(cc4)Br)C(=O)C=C,7.711513958050558,Mpro,False,False
CC1(CCNC1=O)NC(=O)Cc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
CC1C(CCCN1Cc2ccccc2)O,7.00436480540245,Mpro,False,False
CC1CCN(CC1)CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.0076930805056685,Mpro,False,False
CC1CCNC(=O)C1NC(=O)Cc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
CC1CN(CCN1C(=O)CCl)Cc2cccc(c2)Cl,8.682473929533893,Mpro,False,False
CC1CN(CCN1c2cccc(c2)Cl)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
CC1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC,7.00436480540245,Mpro,False,False
CCC(=O)Nc1ccc(cc1)N(C)C(=O)Cn2c3ccccc3nn2,7.00436480540245,Mpro,False,False
CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3,8.428653261926488,Mpro,False,False
CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)n3c4ccccc4nn3,7.00436480540245,Mpro,False,False
CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,7.900932353149607,Mpro,False,False
CCC(=O)Nc1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3,7.336511900350155,Mpro,False,False
CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C,8.261269226710546,Mpro,False,False
CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3,7.082543010693079,Mpro,False,False
CCCCN(CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3,7.00436480540245,Mpro,False,False
CCCCN1c2c(cc(cc2C(=O)C1=O)Br)C,7.239933440705927,Mpro,False,False
CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl,7.804492592739839,Mpro,False,False
CCCCc1[nH]cc(n1)c2nccn2CC(F)(F)F,7.00436480540245,Mpro,False,False
CCCCc1[nH]cc(n1)c2nccn2CCc3ccccn3,7.00436480540245,Mpro,False,False
CCCOc1c(cc(cc1Cl)C(=O)N2CCC(CC2)C3CCNC3)OCC,7.00436480540245,Mpro,False,False
CCCc1c([nH]c2c(c1=O)c(=O)n([nH]2)c3ccccc3)C,7.00436480540245,Mpro,False,False
CCCc1cc2c(cc1S(=O)(=O)N3CCN(CC3)c4ccccc4)OCO2,7.796710628098526,Mpro,False,False
CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)NC(=O)CCl)OC,8.157603642239074,Mpro,False,False
CCNC(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)C=C,7.712398015221227,Mpro,False,False
CCNc1c(cc(cn1)C#N)CN2CCN(CC2)C(=O)CCl,8.785157736230184,Mpro,False,False
CCOC(=O)Cc1csc(n1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CCOC(=O)c1c(cnc(n1)S(=O)(=O)C)Cl,8.983350113473458,Mpro,False,False
CCOC(=O)c1c(n(c2c1cc(cc2)N(C(=O)c3ccco3)S(=O)(=O)C)S(=O)(=O)C)C,9.832079056723993,Mpro,True,True
CCOC(=O)c1c2ccccc2oc1COc3cc(cc(c3)Cl)CC(=O)Nc4cnccc4C,7.00436480540245,Mpro,False,False
CCOC(=O)c1cc(n[nH]1)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C,7.00436480540245,Mpro,False,False
CCOC(=O)c1cc(sc1NC(=O)Cc2csc(n2)c3ccccc3)c4ccccc4,8.570362645558053,Mpro,False,False
CCOC(=O)c1ccc(cc1)NC(=O)CC2C(=O)N(C(=O)S2)c3ccccc3,9.197281863245417,Mpro,False,False
CCOC(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CCOc1ccccc1CN2c3ccc(cc3C(=O)C2=O)Br,7.906308540852263,Mpro,False,False
CCP(=[Au]S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC,8.906363388924946,Mpro,False,False
CCc1cc(ccc1c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C)F,7.584976400546778,Mpro,False,False
CCc1ccc(cc1C(=O)N2CCC(CC2)C3CCNC3)S(=O)(=O)C,7.00436480540245,Mpro,False,False
CCc1ccc2c(c1)C(=O)C(=O)N2CC(=O)O,7.00436480540245,Mpro,False,False
CCc1cccc(c1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)OC)C(=O)C=C,7.00436480540245,Mpro,False,False
CCc1cccc(c1)NC(=O)C(c2cccnc2)N(c3ccc4c(c3)scn4)C(=O)C=C,7.494434734580738,Mpro,False,False
CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
CCn1c2ccc(cc2nc1CSc3nc(c(n3CC4CCCO4)C)C)S(=O)(=O)N(C)C,7.00436480540245,Mpro,False,False
CN(C)C(=O)C(CNC(=O)[C@@H](c1ccccc1)N2Cc3ccccc3C2=O)c4ccccc4,7.00436480540245,Mpro,False,False
CN(C)C(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,8.723320310943755,Mpro,False,False
CN(C)CCCN(Cc1cccs1)C(=O)Cc2cncc3c2cccc3,7.00436480540245,Mpro,False,False
CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=C,7.00436480540245,Mpro,False,False
CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc2c(nc3n2ccs3)c4ccccc4,7.00436480540245,Mpro,False,False
CN(C)c1cc(cnc1)CN(c2cccc(c2)Cl)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
CN(C)c1ccc(cc1)C(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4,7.00436480540245,Mpro,False,False
CN(C)c1ccc(cc1)C(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4,7.00436480540245,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3,9.407277708588774,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3,8.805481416394077,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2ccn[nH]2)C(=O)Cn3c4ccccc4nn3,7.042117127849492,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4,9.078724310677956,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,8.270120225906924,Mpro,False,False
CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3,7.844755742421664,Mpro,False,False
CN(C)c1ccc(nc1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4,9.472663307053642,Mpro,False,True
CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2,7.00436480540245,Mpro,False,False
CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl,7.317011124311331,Mpro,False,False
CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,9.243987564470553,Mpro,False,False
CN1CCN(CC1)c2ccc(cc2C(=O)N3CCC(CC3)C4CCNC4)F,7.00436480540245,Mpro,False,False
CN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,9.612393551951657,Mpro,False,True
CNC(=O)C(c1cccnc1)N(Cc2ccccc2Cl)C(=O)C=C,7.00436480540245,Mpro,False,False
CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,7.814535457212973,Mpro,False,False
CNCC1CCCN(C1)C(=O)[C@@H](c2ccccc2)N3Cc4ccccc4C3=O,7.00436480540245,Mpro,False,False
CNS(=O)(=O)c1ccccc1CNC(=O)C=C,7.00436480540245,Mpro,False,False
CNc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,7.728695746519753,Mpro,False,False
CNc1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3,7.976349351315585,Mpro,False,False
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl,9.202835927595771,Mpro,False,False
COC(=O)C(c1ccccc1Cl)N2CCC(/C(=C/C(=O)O)/C2)S,7.00436480540245,Mpro,False,False
COC(=O)c1c(c2cc(ccc2[nH]c1=O)F)NCCCc3ccccc3,7.163983128719824,Mpro,False,False
COC(=O)c1cc(cc2c1NC(=O)C2=O)Br,7.373326969873041,Mpro,False,False
COC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3,9.017450464769937,Mpro,False,False
COC1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4,9.127577610910793,Mpro,False,False
COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,9.627721416311104,Mpro,False,True
COCC1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4,7.755477215520436,Mpro,False,False
COCCCNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,7.647579456041038,Mpro,False,False
COCCN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,9.00530282000282,Mpro,False,False
COCCNC(=O)[C@@H](c1ccccc1)N2Cc3ccccc3C2=O,7.00436480540245,Mpro,False,False
COCCOC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3,9.011161657339027,Mpro,False,False
COCCc1ccc(cc1CN2CCN(CC2)C(=O)CCl)Cl,8.616640066851136,Mpro,False,False
COCc1cc(cc(c1)Cl)CN2CCN(CC2)C(=O)CCl,8.883257228787283,Mpro,False,False
CO[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4,9.33464180733379,Mpro,False,False
CO[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4,7.152115274437004,Mpro,False,False
CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,9.75929899967806,Mpro,False,True
COc1c(cccc1Cl)OCCNC(=O)c2cc(=O)[nH]c3c2cccc3,7.781371787795743,Mpro,False,False
COc1cc(cc(c1)Cl)OC(=O)Nc2cccnc2,8.820020572397741,Mpro,False,False
COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl,7.991237122619393,Mpro,False,False
COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl,7.00436480540245,Mpro,False,False
COc1cc(nc(n1)C#N)OC,7.00436480540245,Mpro,False,False
COc1cc2ccccc2c(c1)CN3CCN(CC3)C(=O)CCl,8.790288518283104,Mpro,False,False
COc1ccc(cc1)C(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3,7.00436480540245,Mpro,False,False
COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3,8.247639340241783,Mpro,False,False
COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.019106251547674,Mpro,False,False
COc1ccc(cc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)C(F)(F)F)C(=O)C=C,7.569484999613351,Mpro,False,False
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl,8.870682857486894,Mpro,False,False
COc1ccc(cc1N2C(=O)CN(C2=O)Cc3cc(=O)[nH]c4c3cccc4)Cl,7.00436480540245,Mpro,False,False
COc1ccc(cc1OC)C2CC(=NN2C(=O)CCl)c3ccccc3,9.375675186428737,Mpro,False,False
COc1ccc(cc1OC)C2CC(=NN2C(=O)CCl)c3cccs3,9.013779168572214,Mpro,False,False
COc1ccc(cc1OCCNC(=O)c2cc(=O)[nH]c3c2cccc3)Cl,9.160042367400976,Mpro,False,False
COc1ccc(cc1S(=O)(=O)Nc2cccc3c2nccc3)N4C(=O)CCS4(=O)=O,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)CN(C(C2)c3ccccc3)C(=O)CCl,8.748538819249214,Mpro,False,False
COc1ccc2c(c1)c([nH]n2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)c([nH]n2)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)c(nn2C(=O)Cc3cccc(c3)Cl)N,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)n(nc2N)C(=O)C3CCOc4c3cc(cc4)Cl,7.206977983765476,Mpro,False,False
COc1ccc2c(c1)n(nc2N)C(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)n(nn2)CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5,7.49228181425357,Mpro,False,False
COc1ccc2c(c1)n[nH]c2NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
COc1ccc2c(c1)n[nH]c2NC(=O)Cc3cccc(c3)Cl,7.283584294375222,Mpro,False,False
COc1ccc2c(c1)onc2NC(=O)C3CCOc4c3cc(cc4)Cl,7.272355575070836,Mpro,False,False
COc1ccc2c(c1)onc2NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
COc1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl,9.432341865925,Mpro,False,False
COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl,9.25964215484537,Mpro,False,False
COc1cccc(c1)C(=O)Nc2nc([nH]n2)SCc3ccc(cc3)Cl,9.698580900036175,Mpro,False,True
COc1cccc(c1)CCN(c2cccc(c2)Cl)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1cccc(c1)CN2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1cccc(c1)N2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.7055388805105745,Mpro,False,False
COc1cccc(n1)Oc2cc(cc(c2)Cl)NC(=O)Cc3cncc4c3cccc4,8.998308187336004,Mpro,False,False
COc1cccc2c1c(cc(=O)[nH]2)C(=O)N3CCN(CC3)c4cccc(c4)Cl,8.734114781690977,Mpro,False,False
COc1cccc2c1c(cc(=O)[nH]2)C(=O)NCCOc3cc(ccc3OC)Cl,9.72118817338359,Mpro,False,True
COc1ccccc1NC2CN(C2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1ccccc1NCCNC(=O)c2cc(=O)[nH]c3c2cccc3,7.00436480540245,Mpro,False,False
COc1ccccc1OC2CCN(C2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1ccccc1OC2CN(C2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
COc1ccccc1OCCC(=O)Nc2cncc3c2cccc3,7.068485730130441,Mpro,False,False
COc1ccccc1OCCNC(=O)c2cc(=O)[nH]c3c2c(ccc3)F,8.738106895480522,Mpro,False,False
COc1ccccc1OCCNC(=O)c2cc(=O)[nH]c3c2c(ccc3)OC,8.682607887978275,Mpro,False,False
COc1ccccc1OCCNC(=O)c2cc(=O)[nH]c3c2cccc3,8.46072374213718,Mpro,False,False
COc1ccccc1OCCNC(=O)c2cc(=O)cc[nH]2,7.00436480540245,Mpro,False,False
COc1ccccc1OCCNC(=O)c2cncc3c2cccc3,8.23802115193884,Mpro,False,False
COc1cnc(nc1)C#N,7.00436480540245,Mpro,False,False
CS(=O)(=O)N(CCc1ccccc1)CC2CCN(CC2)C(=O)CCl,7.00436480540245,Mpro,False,False
CS(=O)(=O)N1CCN(CC1c2ccccc2)C(=O)CCl,8.480357927388074,Mpro,False,False
CS(=O)(=O)N1CCc2ccc(cc2C1)CN3CCN(CC3)C(=O)CCl,7.415677575204123,Mpro,False,False
CS(=O)(=O)Nc1ccc(cc1C(=O)N2CCC(CC2)C3CCNC3)Cl,7.00436480540245,Mpro,False,False
CS(=O)(=O)c1ccc(cc1)N2CCNCC2,7.0768801799058245,Mpro,False,False
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl,8.790722034717206,Mpro,False,False
CS(=O)(=O)c1ccccc1C(=O)N2CCC(CC2)C3CCNC3,7.00436480540245,Mpro,False,False
CS(=O)(=O)c1ncc(c(n1)C(=O)Nc2ccccc2Cc3ccccc3)Cl,9.08299826539316,Mpro,False,False
CSC1=C(C2(CCCCC2)C(=C(N1)NC(=O)CCl)C#N)C#N,8.817438617342319,Mpro,False,False
C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl,8.737617902822809,Mpro,False,False
C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl,7.454366888368392,Mpro,False,False
C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4,8.57592478743282,Mpro,False,False
C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4,9.280908792436888,Mpro,False,False
C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,7.620219175631922,Mpro,False,False
C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl,9.785582767990666,Mpro,True,True
C[C@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl,7.099252500969047,Mpro,False,False
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4,7.00436480540245,Mpro,False,False
C[C@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4,7.34291284317595,Mpro,False,False
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,10.041953123008296,Mpro,True,True
C[n+]1c(cc(nc1C#N)OC)OC,7.00436480540245,Mpro,False,False
C[n+]1ccn(c1C#N)CCCc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1[nH]nc(n1)c2cccc(c2)CNC(=O)Nc3cccc(c3)CN4CCCC4=O,7.00436480540245,Mpro,False,False
Cc1c([nH]c2c1c(ncn2)NC(=O)C3CCN(CC3)c4ccc(cn4)Cl)C,7.00436480540245,Mpro,False,False
Cc1c([nH]c2c1c(ncn2)NC(=O)c3cc4ccccc4c(=O)o3)C,7.00436480540245,Mpro,False,False
Cc1c(c(n(n1)C(=O)c2cccs2)c3c(nns3)C)C(=O)OC,9.28256257178661,Mpro,False,False
Cc1c(c(on1)C)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
Cc1c(c2cc(ccc2n1S(=O)(=O)C)N(C(=O)c3ccco3)S(=O)(=O)C)C(=O)OC,9.475508320578276,Mpro,False,True
Cc1c(c2ccccn2c1C(=O)c3ccc(cc3)F)C(=O)CCl,9.150894662902452,Mpro,False,False
Cc1c(cccc1C(=O)N2CCC(CC2)C3CCNC3)c4ccccn4,7.00436480540245,Mpro,False,False
Cc1c(cn[nH]1)CC(=O)Nc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1c(cn[nH]1)NC(=O)Cc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1c(cncc1NC(=O)Cc2cccc(c2)C#N)N,7.491860124176105,Mpro,False,False
Cc1c(cncc1NC(=O)Cc2cccc(c2)Cl)N,8.086096223038158,Mpro,False,False
Cc1c(n(nn1)NC(=O)Cc2cccc(c2)Cl)C,7.134562498814556,Mpro,False,False
Cc1c2c([nH]nc2NC(=O)Cc3cccc(c3)Cl)n(n1)C,7.00436480540245,Mpro,False,False
Cc1cc([n+](c(n1)C#N)C)C,7.00436480540245,Mpro,False,False
Cc1cc(c(c(c1C)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4)C)C,8.425893083727681,Mpro,False,False
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)C,7.00436480540245,Mpro,False,False
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
Cc1cc(c(n1CC2COc3ccccc3O2)C)C(=O)CCl,8.381637758301185,Mpro,False,False
Cc1cc(c2c(c1)c(c([nH]2)C)C)CNC(=O)c3ccc(cc3)CNC(=O)C=C,7.00436480540245,Mpro,False,False
Cc1cc(cc(c1)Cl)CC2CCN(CC2)C(=O)CCl,8.908141958935005,Mpro,False,False
Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)N2CCC(CC2)C3CCNC3,7.00436480540245,Mpro,False,False
Cc1cc(cc(c1OC(F)F)C)C(=O)N2CCC(CC2)C3CCNC3,7.00436480540245,Mpro,False,False
Cc1cc(cc2c1N(C(=O)C2=O)CCBr)Br,7.77694683105665,Mpro,False,False
Cc1cc(cc2c1N(C(=O)C2=O)Cc3ccc(c(c3)OC)OC)Br,8.90988419256001,Mpro,False,False
Cc1cc(cnc1)C(C(=O)NCCc2cccc(c2)F)N(c3ccc(cc3)C(C)(C)C)C(=O)C=C,7.00436480540245,Mpro,False,False
Cc1cc(cnc1)C(C(=O)NCCc2cccc(c2)F)N(c3ccc(cc3)C(F)(F)F)C(=O)C=C,8.112351082574762,Mpro,False,False
Cc1cc(nc(c1C#N)Sc2c3c(ncn2)n(nn3)Cc4ccccc4)C,9.592770109187532,Mpro,False,True
Cc1cc(nc(n1)C#N)C,7.00436480540245,Mpro,False,False
Cc1cc(nc(n1)NC2CCN(CC2)C(=O)CCl)C,7.710547365521834,Mpro,False,False
Cc1cc(nc2c1c([nH]n2)NC(=O)C3CCOc4c3cc(cc4)Cl)C(F)(F)F,7.008381381616053,Mpro,False,False
Cc1cc(nc2c1c([nH]n2)NC(=O)Cc3cccc(c3)Cl)C(F)(F)F,7.086303022564132,Mpro,False,False
Cc1cc(nc2c1c(nn2C(=O)C3CCOc4c3cc(cc4)Cl)N)C(F)(F)F,7.238177481385393,Mpro,False,False
Cc1cc(nc2c1c(nn2C(=O)Cc3cccc(c3)Cl)N)C(F)(F)F,7.00436480540245,Mpro,False,False
Cc1cc(ncc1NC(=O)Cc2cccc(c2)Cl)N,7.00436480540245,Mpro,False,False
Cc1cc(no1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
Cc1cc(no1)c2c(c(nn2c3ccccc3)C)C(=O)OC,7.00436480540245,Mpro,False,False
Cc1cc2c(c(c1)O)C(=O)C3CC2(C4=C3C(=O)c5cccc(c5C4=O)O)O,7.235408492007872,Mpro,False,False
Cc1cc2c(c(c1c3c(cc(c4c3C(=O)C=CC4=O)O)C)O)C(=O)C=CC2=O,8.075011476754895,Mpro,False,False
Cc1cc2c(cc1C)OCC2C(=O)N3CCCCC3c4c[nH]nc4,7.00436480540245,Mpro,False,False
Cc1cc2c(nc(=O)n(c2s1)CC(=O)Nc3cccc(c3)Cl)N,7.00436480540245,Mpro,False,False
Cc1ccc(c(c1)Br)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
Cc1ccc(c(c1)C)NC2=C(C(=O)N(C2=O)Cc3cccnc3)c4ccccc4,7.262853018855186,Mpro,False,False
Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl)C,8.789582777567665,Mpro,False,False
Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C,7.250414538791113,Mpro,False,False
Cc1ccc(cc1)C(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3,7.00436480540245,Mpro,False,False
Cc1ccc(cc1)CN2CCC(C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C,7.034634546263158,Mpro,False,False
Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3,8.481184925708272,Mpro,False,False
Cc1ccc(cc1)N(Cc2cscn2)C(=O)Cc3cncc4c3cccc4,7.865229628740243,Mpro,False,False
Cc1ccc(cc1)Nc2ccccc2C(=O)N3CCC(CC3)C4CCNC4,7.00436480540245,Mpro,False,False
Cc1ccc(cc1)OCCN2c3c(cccc3Cl)C(=O)C2=O,8.668309157574413,Mpro,False,False
Cc1ccc(cc1)S(=O)(=O)NC2CCN(CC2)C(=O)CCl,7.733334289992036,Mpro,False,False
Cc1ccc(cc1C)NC2=C(C(=O)N(C2=O)Cc3cccnc3)c4ccccc4,7.361350908499002,Mpro,False,False
Cc1ccc(cc1C)n2c3c(cn2)c(=O)n(cn3)CC(=O)N,7.00436480540245,Mpro,False,False
Cc1ccc(cc1Cl)CC(=O)Nc2cncc3c2cccc3,9.012749730873558,Mpro,False,False
Cc1ccc(cc1Cl)NC2=C(C(=O)N(C2=O)Cc3cccnc3)c4ccccc4,7.491558694196877,Mpro,False,False
Cc1cccc(c1)C2CN(Cc3c2cccc3)C(=O)CCl,9.376967288157136,Mpro,False,False
Cc1cccc(c1)CC2CCN(CC2)C(=O)CCl,8.34738754240837,Mpro,False,False
Cc1cccc(c1)COC(=O)c2cccc3c2NC(=O)C3=O,7.7622651015241075,Mpro,False,False
Cc1cccc(c1)NC(=O)CN2c3ccccc3C(=O)C2=O,7.373010164582444,Mpro,False,False
Cc1cccc(n1)NC(=O)[C@@H](c2ccccc2)N3Cc4ccccc4C3=O,7.00436480540245,Mpro,False,False
Cc1cccc2c1c(cc(=O)[nH]2)C(=O)NCCOc3ccccc3OC,8.584775592114276,Mpro,False,False
Cc1ccccc1NC(=O)CC2C(=O)N(C(=O)S2)c3ccccc3,9.181698954034347,Mpro,False,False
Cc1cccnc1NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C,7.00436480540245,Mpro,False,False
Cc1ccn2c(c1)nc(c2c3ccc4c(c3)cn[nH]4)c5ccc(cc5)F,7.00436480540245,Mpro,False,False
Cc1ccn2cnnc2c1NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
Cc1ccn2cnnc2c1NC(=O)Cc3cccc(c3)Cl,7.078947840500814,Mpro,False,False
Cc1ccnc2c1nc([nH]2)CC3CCN(CC3)C(=O)CCl,7.526985798715483,Mpro,False,False
Cc1ccncc1C(C(=O)NCCc2cccc(c2)F)N(Cc3cccc(c3)Cl)C(=O)C=C,7.00436480540245,Mpro,False,False
Cc1ccncc1CC(=O)Nc2cccc(c2)Cl,7.579019571813597,Mpro,False,False
Cc1ccncc1CC(=O)Nc2cccc3c2CNCC3,7.00436480540245,Mpro,False,False
Cc1ccncc1N2CCC(C2=O)c3cccc(c3)Cl,7.889605536803153,Mpro,False,False
Cc1ccncc1N2CCC(S2(=O)=O)c3cccc(c3)Cl,7.165930654794915,Mpro,False,False
Cc1ccncc1N2CCN(C2=O)c3cccc(c3)Cl,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl,7.610429786938469,Mpro,False,False
Cc1ccncc1NC(=O)C(C)c2cc(cc(c2)Cl)OC3CC(=O)N3,7.055061902891723,Mpro,False,False
Cc1ccncc1NC(=O)C(C)c2cccc(c2)C#N,7.34378750227385,Mpro,False,False
Cc1ccncc1NC(=O)C(C)c2cccc(c2)Cl,7.887137275988868,Mpro,False,False
Cc1ccncc1NC(=O)C(CO)c2cccc(c2)Cl,7.324966737223271,Mpro,False,False
Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=O)OC,7.767222439458898,Mpro,False,False
Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=O)c3cc(=O)[nH]c4c3cccc4,7.64068802222211,Mpro,False,False
Cc1ccncc1NC(=O)CCc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)CCc2cccc(c2)F,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)CCc2ccn[nH]2,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)CN2CCCCC2,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)CN2CCN(CC2)C(=O)C,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl,7.40974585142893,Mpro,False,False
Cc1ccncc1NC(=O)C[C@H](c2ccccc2)N3CCC(CC3)O,7.170872903740302,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)/C=C(/c3ccccc3)\C(F)(F)F,7.814671726646795,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)C(=O)NC,7.357605532049587,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)C3COC3,7.244862263817556,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C,7.255542911798444,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNS(=O)(=O)C,7.491990341335441,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3(CCC(CC3)(F)F)C,7.342138011064155,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CC3C(F)(F)F,7.704991313739416,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CCC(C3O)(F)F,7.589977018908519,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CCCC3O,7.410542721903445,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C#N,7.483094575842344,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O)(=O)N,7.839477205112082,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC,7.360485576431701,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC3CC(=O)N3,9.026526337254674,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC3COC3,7.81582888918113,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3[nH]ccn3,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3[nH]ncn3,7.091432691817205,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3c4ccccc4n(n3)C(=O)OC(C)(C)C,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3cc(no3)c4ccc(cc4)Cl,7.311839377581718,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3cc(no3)c4ccc(cc4)OC,7.860494524755307,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3ccc(c(c3)OC)OC(F)F,8.1311050660048,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3ccc(cc3)OCc4ccccc4F,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C,7.615137179217594,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nnc(o3)C4CCCCC4,7.875091918782722,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)S(=O)(=O)N,7.882992022626299,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3[nH]ccn3,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3ccc(cc3)C4(CCO4)C,7.816211769268475,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3ccc(cc3)C4CC4(F)F,8.5479067797609,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3ccc(cc3Cl)S(=O)(=O)C,7.708898217411159,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3ccc(cc3OC)C(=O)OC,7.921252318836003,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)c3cnn(c3C(F)F)C,7.795760136439952,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cc(c2)OC3CC(=O)N3)C#N,8.063957778881955,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2ccc3c(c2)cn[nH]3,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cccc(c2)Br,7.797430603543905,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cccc(c2)C#N,7.358059610543538,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cccc(c2)Cl,7.857136294212543,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cccc(c2)I,7.160572900545203,Mpro,False,False
Cc1ccncc1NC(=O)Cc2cccc(c2)c3c[nH]nc3,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)Cl,7.699661451765237,Mpro,False,False
Cc1ccncc1NC(=O)N(C)c2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)N(CCC2CCCCC2)c3cc(cc(c3)Cl)OC(C)C,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)Nc2cccc(c2)C#N,7.306895812751572,Mpro,False,False
Cc1ccncc1NC(=O)Nc2cccc(c2)Cl,7.340185849396493,Mpro,False,False
Cc1ccncc1NC(=O)[C@@H](C)OC(F)F,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl,7.00436480540245,Mpro,False,False
Cc1ccncc1NC(=O)[C@H]2CCOc3c2cc(cc3)Cl,8.195234821787913,Mpro,False,False
Cc1ccncc1OCCNC(=O)C(C)(C)c2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
Cc1ccsc1/C=C/2\C(=O)OC(=N2)c3cccc(c3)OC,8.294891610785283,Mpro,False,False
Cc1nc(cs1)CN2c3ccc(cc3C(=O)C2=O)Br,7.744142147175997,Mpro,False,False
Cn1c(=O)c-2nc(nn(c2nc1=O)C)c3ccc(cc3)C(F)(F)F,7.00436480540245,Mpro,False,False
Cn1c(=O)ccn(c1=O)CC(=O)NC(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4,7.802115351363456,Mpro,False,False
Cn1c2c(cn1)c(=O)n(cn2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5,7.00436480540245,Mpro,False,False
Cn1c2ccccc2nc1C(c3cccc(c3)Cl)NC(=O)Cc4cc5ccccc5[nH]4,7.503635471570283,Mpro,False,False
Cn1c2ccccc2nc1c3ccc(cc3)NC(=O)C4CCCCC(=O)N4,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)CC4CCCO4,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCc4ccccc4C3,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(c(c3)OC)OC,7.00436480540245,Mpro,False,False
Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(cc3OC)OC,7.00436480540245,Mpro,False,False
Cn1cc(cn1)CC(c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4,7.00436480540245,Mpro,False,False
Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4c5ccccc5nn4,7.00436480540245,Mpro,False,False
Cn1cc(nc1)CN(c2ccc(cc2)OCc3ccccc3)C(=O)c4cnnn4c5ccccc5,7.00436480540245,Mpro,False,False
Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2,7.00436480540245,Mpro,False,False
Cn1ccc(n1)CN(c2ccc(cc2)c3ccccn3)C(=O)Cc4cccnc4,7.00436480540245,Mpro,False,False
Cn1cncc1NC(=O)Cc2cccc(c2)Cl,7.00436480540245,Mpro,False,False
[2H]C([2H])([2H])O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4,9.75929899967806,Mpro,False,True
c1c(cc(cc1Cl)Cl)CN2CCN(CC2)C(=O)CCl,9.322879088914654,Mpro,False,False
c1c(cc(cc1O)Cl)CN2CCN(CC2)C(=O)CCl,8.804397499038291,Mpro,False,False
c1c(cnc(n1)C#N)Br,7.00436480540245,Mpro,False,False
c1c(cnc(n1)C#N)Cl,7.00436480540245,Mpro,False,False
c1c(cnc(n1)C#N)F,7.00436480540245,Mpro,False,False
c1c2c(c(n[nH]2)N)c(nc1O)O,7.00436480540245,Mpro,False,False
c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)C(=O)CCl)F,8.58116632979757,Mpro,False,False
c1cc(c(cc1Br)Cl)NC(=O)Cn2cnc(n2)C#N,8.542259475397206,Mpro,False,False
c1cc(c(cc1Cl)CN2CCN(CC2)C(=O)CCl)CNC(=O)N3CCOCC3,8.255573549671789,Mpro,False,False
c1cc(c(cc1Cl)CN2CCN(CC2)C(=O)CCl)CNC(=O)[C@@H]3CCCOC3,7.696096638678481,Mpro,False,False
c1cc(c(cc1O)CN2CCN(CC2)C(=O)CCl)O,8.032304621079733,Mpro,False,False
c1cc(c(cc1c2nc[nH]n2)F)NC(=O)C3CCCCC(=O)N3,7.00436480540245,Mpro,False,False
c1cc(c2cc[nH]c2c1)C(=O)Oc3cc(cnc3)Cl,10.25394396226882,Mpro,True,True
c1cc(cc(c1)C#N)CN2CCN(CC2)C(=O)CCl,7.911997702989911,Mpro,False,False
c1cc(cc(c1)C#N)CN2c3c(cccc3Br)C(=O)C2=O,10.769216066691143,Mpro,True,True
c1cc(cc(c1)C(=O)N2CCC(CC2)C3CCNC3)CN4CCCC4=O,7.00436480540245,Mpro,False,False
c1cc(cc(c1)CN2CCN(CC2)C(=O)CCl)CNC(=O)N3CCOCC3,7.298280764608207,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N,7.265788713005075,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2=O,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)NC2CCCNC2=O,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)N[C@H]2CCNC2=O,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3c(cccc3F)n[nH]2,7.087478795662057,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3c(cccn3)n[nH]2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3c(ccnc3Br)[nH]n2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3cc(ccc3[nH]n2)F,7.052644643155996,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3ccc(cc3n[nH]2)F,7.038632452965352,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c3cnccc3[nH]n2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2[nH]nc3,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3,7.627034448357264,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCC3,8.332648406822617,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCC3,8.734734025239023,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCN3,8.39367160214145,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2OCCC3,8.006305745097036,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3,8.098708820720123,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3Cl,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccn3,7.237118890427688,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccnc3,8.430751257697263,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3,8.671518296488243,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3,8.206261772405188,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3,8.130887195357168,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)n2c3cc(ccc3c(n2)N)F,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)n2c3ccc(cc3c(n2)N)F,7.025943491890401,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)n2c3cccc(c3c(n2)N)F,7.278635807031864,Mpro,False,False
c1cc(cc(c1)Cl)CC(=O)n2c3cccnc3c(n2)N,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CC(Cn2cncn2)O,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CCCn2ccnc2C#N,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CCn2ccnc2C#N,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)CN2CC3CC2CN3C(=O)CCl,9.18345634718646,Mpro,False,False
c1cc(cc(c1)Cl)CN2CCN(C2=O)c3c4cn[nH]c4ccn3,8.536462781561836,Mpro,False,False
c1cc(cc(c1)Cl)CN2CCN(CC2)C(=O)CCl,9.263246359093277,Mpro,False,False
c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3,8.481439127226158,Mpro,False,False
c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3,7.00436480540245,Mpro,False,False
c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3,7.237708474777066,Mpro,False,False
c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)c3cc(=O)cc[nH]3,7.229668317901562,Mpro,False,False
c1cc(cc(c1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cc(cc4)F,7.00436480540245,Mpro,False,False
c1cc(cc(c1)N2CCCC2=O)NC(=O)CCl,7.00436480540245,Mpro,False,False
c1cc(cc(c1)N2CCCNC2=O)C(=O)N3CCC(CC3)C4CCNC4,7.00436480540245,Mpro,False,False
c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl)F,8.693883761489538,Mpro,False,False
c1cc(ccc1/C(=C(\C#N)/C(=O)Nc2ccc(cc2)F)/O)Cl,9.631521230484212,Mpro,False,True
c1cc(ccc1CN2CCC(CC2)C3CCNC3)C#N,8.866264310613598,Mpro,False,False
c1cc(ccc1N2CCC(CC2)N3CCCCCC3)S(=O)(=O)N,7.802497301200972,Mpro,False,False
c1cc(ccc1N2CCC(CC2)[C@@H]3CCCO3)S(=O)(=O)N,7.00436480540245,Mpro,False,False
c1cc(ccc1NC2CCN(CC2)c3ccc(cc3)S(=O)(=O)N)F,7.4065100535980655,Mpro,False,False
c1cc(ccc1c2nnc(o2)Sc3ncc(s3)[N+](=O)[O-])Cl,9.49611840987547,Mpro,False,True
c1cc(ccc1n2cnnc2)N(Cc3ccsc3)C(=O)Cn4cc(nn4)CN,7.00436480540245,Mpro,False,False
c1cc(cnc1)NC(=O)NC2(CC2)C#Cc3c[nH]cn3,7.351296752211994,Mpro,False,False
c1cc(cnc1)c2ccnc(n2)Sc3ncc(s3)[N+](=O)[O-],8.842556138203204,Mpro,False,False
c1cc(sc1)C(=O)n2c(c(cn2)C#N)C3CC3,9.439879187707378,Mpro,False,False
c1cc(sc1)C2=N/C(=C\c3ccc(s3)N4CCOCC4)/C(=O)O2,9.15108549586765,Mpro,False,False
c1cc(sc1)CN2CCN(CC2)C(=O)CCl,8.47933525956051,Mpro,False,False
c1cc(sc1)S(=O)(=O)N2CCN(CC2)C(=O)CCl,9.254500617165023,Mpro,False,False
c1cc(sc1)c2cc([nH]n2)N3CCN(CC3)C(=O)Cc4ccsc4,7.106745802692798,Mpro,False,False
c1cc2c(c([nH]n2)NC(=O)C3CCOc4c3cc(cc4)Cl)nc1,7.00436480540245,Mpro,False,False
c1cc2c(c(c1)Br)N(C(=O)C2=O)Cc3ccc(cc3)Br,9.314486963845384,Mpro,False,False
c1cc2c(c(c1)Br)N(C(=O)C2=O)Cc3ccc(cc3F)C#N,7.844953007820698,Mpro,False,False
c1cc2c(c(c1)Br)NC(=O)C2=O,7.365384895185761,Mpro,False,False
c1cc2c(c(c1)F)OCCC2C(=O)Nc3nncn3C4CC4,7.00436480540245,Mpro,False,False
c1cc2c(c(c1)F)c([nH]n2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1cc2c(cc1Br)C(=O)C(=O)N2,7.518805463137568,Mpro,False,False
c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ncon3,8.420846322745742,Mpro,False,False
c1cc2c(cc1C(=O)N3CCC(CC3)C4CCNC4)CCC(=O)N2,7.00436480540245,Mpro,False,False
c1cc2c(cc1C(=O)N3CCC(CC3)C4CCNC4)nc([nH]2)C(F)F,7.00436480540245,Mpro,False,False
c1cc2c(cc1CC(=O)NC3(CC3)CNC(=O)c4cnc[nH]4)[nH]c(=O)[nH]2,7.563875158246788,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)NC3CCNC(=O)C3,7.00436480540245,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3c4c(ccnc4Br)[nH]n3,7.129755046904615,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cc[nH]c(=O)c3,7.00436480540245,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cnccc3CO,7.178153793038874,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4,7.00436480540245,Mpro,False,False
c1cc2c(cc1Cl)C(CCO2)C(=O)n3c4ccncc4c(n3)N,7.021164616879572,Mpro,False,False
c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3nncn3C4CC4,7.00436480540245,Mpro,False,False
c1cc2c(cc1Cl)[C@@H](CO2)C(=O)Nc3cnccc3CO,7.735466367502777,Mpro,False,False
c1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3cncc4c3ccnc4,8.889052607095097,Mpro,False,False
c1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3cncc4c3cncc4,9.11507073840193,Mpro,False,False
c1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3nncn3C4CC4,7.00436480540245,Mpro,False,False
c1cc2c(cc1F)n(nc2N)C(=O)C3CCOc4c3cc(cc4)Cl,7.273667413045183,Mpro,False,False
c1cc2c(cc1F)n[nH]c2NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1cc2c(cc1OCCF)C(=O)C(=O)N2,7.344502517251163,Mpro,False,False
c1cc2c(cc1S(=O)(=O)N)CN(CC2)CC3CCN(CC3)C(=O)CCl,7.505293327335103,Mpro,False,False
c1cc2c(cc1[N+](=O)[O-])C(=O)C(=O)N2CC(=O)O,7.00436480540245,Mpro,False,False
c1cc2cn[nH]c2c(c1)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl,9.328602041045182,Mpro,False,False
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl,9.577174832479129,Mpro,False,True
c1ccc(c(c1)CCS(=O)(=O)N)CN2CCN(CC2)C(=O)CCl,9.078973843403777,Mpro,False,False
c1ccc(c(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Sc3ncc(s3)[N+](=O)[O-],9.66040626648102,Mpro,False,True
c1ccc(c(c1)NS(=O)(=O)c2cc(sc2Cl)Cl)SCc3cccc(c3F)Cl,8.716911562513202,Mpro,False,False
c1ccc(c(c1)OCC(=O)Nc2c3c([nH]cn3)ncn2)F,7.00436480540245,Mpro,False,False
c1ccc(cc1)C(C2CCCCC2)N3CCN(CC3)C(=O)CCl,9.19140879748054,Mpro,False,False
c1ccc(cc1)C(C2CCOCC2)N3CCN(CC3)C(=O)CCl,8.7726275565884,Mpro,False,False
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CCl,9.413596422413756,Mpro,False,False
c1ccc(cc1)C2C3(CC(C3)(O2)CNCc4ccc5c(c4)OCC5)C(=O)O,7.00436480540245,Mpro,False,False
c1ccc(cc1)CCNC(=O)[C@@H](c2ccccc2)N3Cc4ccccc4C3=O,7.00436480540245,Mpro,False,False
c1ccc(cc1)CCNS(=O)(=O)c2cccc3c2nc(s3)NC(=O)CCl,8.068154729656165,Mpro,False,False
c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4c5ccccc5nn4,7.740715273970121,Mpro,False,False
c1ccc(cc1)CN2CCC(C2=O)Nc3c4c([nH]cn4)ncn3,7.00436480540245,Mpro,False,False
c1ccc(cc1)CN2CCC(c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5,8.807668092167093,Mpro,False,False
c1ccc(cc1)CN2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.726823942665064,Mpro,False,False
c1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)[N+](=O)[O-],7.570127960213542,Mpro,False,False
c1ccc(cc1)COc2ccc(cc2)n3c(nnc3Sc4ncc(s4)[N+](=O)[O-])c5ccco5,9.180771989853994,Mpro,False,False
c1ccc(cc1)CS(=O)(=O)c2ncc(c(n2)C(=O)NCc3ccc4c(c3)OCO4)Cl,9.293150304146543,Mpro,False,False
c1ccc(cc1)C[C@H]2CN(CCN2C(=O)CCl)Cc3cccc(c3)Cl,7.724672172229308,Mpro,False,False
c1ccc(cc1)Cc2ncc(s2)CN3CCN(CC3)C(=O)CCl,7.461292172872575,Mpro,False,False
c1ccc(cc1)N2CCN(CC2)C(=O)c3cc(=O)[nH]c4c3cccc4,7.982852994736412,Mpro,False,False
c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4,8.139440632232985,Mpro,False,False
c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3,7.3460404746272285,Mpro,False,False
c1ccc(cc1)Nc2nc3ccccc3c(=O)o2,9.440293926619026,Mpro,False,False
c1ccc(cc1)S(=O)(=O)c2c(oc(n2)c3ccc(cc3)F)S(=O)(=O)Cc4ccccc4F,10.003436885303342,Mpro,True,True
c1ccc(cc1)[C@H](C(=O)NCC2=SC=CC2)N3Cc4ccccc4C3=O,7.086266388363283,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)NCc2cccs2)N3Cc4ccccc4C3=O,7.086266388363283,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)Cl)N3Cc4ccccc4C3=O,7.1869528674819465,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)N3Cc4ccccc4C3=O,7.00436480540245,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2cccc(c2)F)N3Cc4ccccc4C3=O,7.222445123109489,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2ccccc2)N3Cc4ccccc4C3=O,7.000862190243663,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2ccccc2C#N)N3Cc4ccccc4C3=O,7.237679169811981,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2cccnc2)N3Cc4ccccc4C3=O,7.22479420449711,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)Nc2ccncc2)N3Cc4ccccc4C3=O,7.00436480540245,Mpro,False,False
c1ccc(cc1)[C@H](C(=O)O)N2Cc3ccccc3C2=O,8.93682201366674,Mpro,False,False
c1ccc(cc1)c2cc(n3c(n2)ncn3)Sc4nnc(o4)c5cccs5,9.816778331182627,Mpro,True,True
c1ccc(cc1)c2ccc(cc2)N(CC(=O)N3CCNCC3)C(=O)Cn4c5ccccc5nn4,7.00436480540245,Mpro,False,False
c1ccc(cc1)c2ccc(cc2)N(CC(=O)N3CCNCC3)C(=O)Cn4cc(nn4)CN,7.00436480540245,Mpro,False,False
c1ccc(cc1)c2ccc(cn2)N(Cc3cscn3)C(=O)Cn4cc(nn4)CN,7.00436480540245,Mpro,False,False
c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl,7.599742168935629,Mpro,False,False
c1ccc(cc1)c2ncc(cn2)N(Cc3ccccn3)C(=O)Cn4c5ccccc5nn4,7.00436480540245,Mpro,False,False
c1ccc(cc1)c2nnn(n2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5,7.45851594110784,Mpro,False,False
c1ccc2c(c1)C(=O)C(=O)N2Cc3ccc(cc3)Br,9.126424021009797,Mpro,False,False
c1ccc2c(c1)C(C(=O)N2)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)C(CCO2)C(=O)Nc3nncn3C4CC4,7.00436480540245,Mpro,False,False
c1ccc2c(c1)C(CCS2(=O)=O)C(=O)Nc3nncn3C4CC4,7.571156746622936,Mpro,False,False
c1ccc2c(c1)C(N=N2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)CN(CC2c3cccc(c3)C#N)C(=O)CCl,8.841329945122208,Mpro,False,False
c1ccc2c(c1)CN(CC2c3cccc(c3)N)C(=O)CCl,7.942537896250752,Mpro,False,False
c1ccc2c(c1)c(=O)n(cn2)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(=O)n(cn2)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c([nH]n2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(c[nH]c2=O)NC(=O)C3CCOc4c3cc(cc4)Cl,7.077156608561131,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl,8.017128706073548,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)N3CCN(CC3)c4ccc(cc4)F,7.278338349332568,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F,8.248222597054557,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)N3CCN(CC3)c4cccc(c4)Cl,8.659651821815473,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)NCCOc3cc(cc(c3)Cl)OC4CC(=O)N4,8.928067789460352,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.318594271505225,Mpro,False,False
c1ccc2c(c1)c(cc(=O)[nH]2)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(cnn2)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(co2)CNC(=O)C3CCc4nnc(n4C3)c5ccc(cc5)O,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(n[nH]2)NC(=O)C3CCOc4c3cc(cc4)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(n[nH]2)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)c(nc(n2)c3cccnc3)C4CCN(CC4)C(=O)CCl,7.828185191308784,Mpro,False,False
c1ccc2c(c1)c(nn2C(=O)Cc3cccc(c3)Cl)N,7.00436480540245,Mpro,False,False
c1ccc2c(c1)cc(cc2CN3CCN(CC3)C(=O)CCl)C#N,8.934653966745215,Mpro,False,False
c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCl,9.045590877136537,Mpro,False,False
c1ccc2c(c1)cccc2Cc3ccc(cc3)S(=O)(=O)N4CCN(CC4)C(=O)CCl,7.818210231155266,Mpro,False,False
c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl,8.257066277461032,Mpro,False,False
c1ccc2c(c1)cncc2C(=O)N3CCN(CC3)c4cccc(c4)Cl,9.079235265781223,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cccs4,8.519776078062565,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)c4cccc(c4)Cl,8.990937043653394,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)N3CCOc4c3cc(cc4)Cl,8.437021604364402,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)OC4CCC(=O)N4,7.712996700375761,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)C#N,7.834426567369379,Mpro,False,False
c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)Cl,8.142611368808867,Mpro,False,False
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O,9.438334002964863,Mpro,False,False
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O,9.187957673850535,Mpro,False,False
c1ccc2c(c1)cncc2N3CCC(C3=O)c4cccc(c4)Cl,9.062628459290448,Mpro,False,False
c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(cc4)Cl,7.781555998606519,Mpro,False,False
c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4)Cl,9.13570582671148,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C(C#N)c3ccc(c(c3)Cl)Cl,9.28724537474742,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N,7.608699037299989,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCC5CC5,7.0272263869454505,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CO,8.93002792059296,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3=CCCc4c3cc(cc4)Cl,10.091154627560336,Mpro,True,True
c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc4)Br,8.95000948752497,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc4)Cl,9.306177527898734,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCCc4c3cc(cc4)Cl,9.538362057717196,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)C(=O)N,9.175895314157422,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ccn5,8.916303723550952,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ncn5,8.952301740835345,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5ccn[nH]5,9.01871060339591,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5,8.810293741061342,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4)Cl,9.142424209065256,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4O)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)Cl,9.509568500688289,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)F)Cl,9.346996020759844,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Br,8.840790983742265,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl,9.37267550326404,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4Cl)Cl,9.525829064758916,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4O)Cl,9.27539907711848,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl,8.553587595492212,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)Cl,9.293232286103102,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)C3COc4c3cccc4Cl,8.270889108481724,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)CCc3cccc(c3)Cl,7.713924706117682,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)COc3cccc(c3)Cl,8.220673103902852,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C#N,9.395298868752135,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CC4CC(=O)N4,8.354497181077198,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Cc4ccn[nH]4,8.027287539669256,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Cl,9.101828840483382,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)F,9.360974933156164,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4,9.803391209069728,Mpro,True,True
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cccnc4,8.831035458839853,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)F)F,9.098757123782953,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3OCC4)Cl,9.308123035180175,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3Cl)Cl,9.059721810983705,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)Cl,9.119187686570903,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccn3)Cl,7.943831440389347,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)Cl,9.88071767828312,Mpro,True,True
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)F,9.492079833552197,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl,8.976040695179854,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)OC5CC(=O)N5,8.802633357758687,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCCC3)c4cccc(c4)Cl,9.00837225741409,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl,9.742487399966116,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl,9.609919523652197,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl,9.56392466238403,Mpro,False,True
c1ccc2c(c1)cncc2NC(=O)[C@@H]3Cc4cc(ccc4OC3)Cl,7.423419081020101,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F,8.033490132853197,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCCO,7.713040802308351,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O,8.880887073331294,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl,7.230664778148157,Mpro,False,False
c1ccc2c(c1)cncc2NC(=O)[C@H]3Cc4cc(ccc4OC3)Cl,8.449032080706777,Mpro,False,False
c1ccc2c(c1)nc(o2)SCc3nc4ccc(cc4n3CCO)Cl,7.00436480540245,Mpro,False,False
c1ccc2c(c1)ncn2NC(=O)C(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5,7.00436480540245,Mpro,False,False
c1ccc2c(c1)ncn2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4,7.00436480540245,Mpro,False,False
c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl,8.370060803767451,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5,8.220436478340194,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5,8.421693543829837,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccccn3)c4ccc(cc4)n5cnnc5,7.00436480540245,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5,8.201516015057223,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5,7.671264859635021,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5,7.547397100122097,Mpro,False,False
c1ccc2c(c1)nnn2CC(=O)Nc3cccc(c3)Cl,7.531210187738148,Mpro,False,False
c1ccc2c(c1)nnn2NC(=O)C(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O,7.087118228799179,Mpro,False,False
c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl,7.508035828081344,Mpro,False,False
c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl,7.0275095316394,Mpro,False,False
c1ccn2cnc(c2c1)NC(=O)Cc3cccc(c3)Cl,7.00436480540245,Mpro,False,False
c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3cccc4n3ccn4,7.00436480540245,Mpro,False,False
c1cnc(nc1Cl)C#N,7.00436480540245,Mpro,False,False
c1cscc1CN2CCN(CC2)C(=O)CCl,8.944124117760536,Mpro,False,False
c1cscc1S(=O)(=O)N2CCN(CC2)C(=O)CCl,9.314782808408731,Mpro,False,False