,COMPOUND DETAILS,,,,,,,,PHYSICAL PROPERTIES,,,,ANTIBACTERIAL DATA (%-inhibition at 100 uM),,,,,ANTIFUNGAL ACTIVITY (%-inhibition at 100 uM),Mycobacterium (%-inhibition at 10 uM),,Hemolysis,,,,,,,,,
Index,Internal ID,PubChem SID,PubChem CID,Associated researcher,Compound designed for,Github Repository Name,SMILES,Well number,Molecular weight [g/mol],Predicted cLogP,Conc (mM),Solubility (uM),S. aureus ATCC 9144,A. baumannii ATCC 17978,A. baumannii ATCC 17978 + PMBN,E. coli NCTC 12923,E. coli NCTC 12923 + PMBN,C. albicans NCPF 3281,M. avium ATCC 15796,M. abscessus NCTC 14045,Haemolysis (%),SA,AB,AB PBMN ,EC,EC PMBN,CA,Mavi,Mabss,SUM
1,RA-0003145-02,513765995,137945172,Rebecka Isaksson,Dengue RdRp,CNP17,FS(=O)(=O)C=1N=CC(Cl)=CC1Br,A01,274.497,2.165,10,> 100,-14.2,0.6,5.9,-27.7,-23.7,-41.4,0.22,-0.92,0.56,0,0,0,0,0,0,0,0,0
2,RA-0003301-03,513765996,175673066,Rebecka Isaksson,Dengue RdRp,CNP18,OC=1C=CC=C2CN(CC21)C=3N=C4C=CC=CC4=C(C3C#N)C(F)(F)F,A02,355.318,3.154,10,11.5,97.0,23.8,33.9,2.2,35.4,3.7,0.65,-1.26,-0.14,1,0,0,0,0,0,0,0,1
3,RA-0020557-01,513765997,135534909,Rebecka Isaksson,Dengue RdRp,CNP11,CN(C)c1ccc(cc1)C1C2=C(CCCC2=Nc2c1c(nc(n2)SCC=C)O)O,A03,408.525,3.343,10,not tested,-16.3,1.8,1.2,-40.0,-12.3,15.9,0.54,-0.89,-0.05,0,0,0,0,0,0,0,0,0
4,YNW97,513765998,175673067,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)CC4=CC=CC=C4)=O)(=O)=O)=C3)S2)=NC=N1,A04,453.535,-1.702,10,> 100,-16.5,1.5,3.2,-49.3,-18.8,-49.9,11.65,-0.63,0.06,0,0,0,0,0,0,0,0,0
5,RA-0020560-01,513765999,7259211,Rebecka Isaksson,Dengue RdRp,CNP11,CC1C=CN2C(C=1)=NC(=NC2=O)SCC(=O)OCc1ccccc1,A05,341.390,1.679,10,77.1,7.0,0.2,5.2,-34.5,-29.4,-101.8,-0.19,-0.80,-0.01,0,0,0,0,0,0,0,0,0
6,RA-0020562-01,513766000,7185361,Rebecka Isaksson,Dengue RdRp,CNP11,C1Cc2c(C1)nc(nc2SCC(c1ccc(cc1)[Cl])=O)O,A06,320.799,3.220,10,90.1,-14.2,0.0,10.9,-22.0,-20.0,-110.3,0.49,-0.38,0.15,0,0,0,0,0,0,0,0,0
7,RA-0020568-01,513766001,43842286,Rebecka Isaksson,Dengue RdRp,CNP11,Cc1cccc(C)c1OCC(CSc1ccccn1)O,A07,289.398,2.869,10,not tested,-7.9,11.9,51.9,-44.2,59.6,-34.4,-0.79,-0.10,0.21,0,0,0,0,0,0,0,0,0
8,RA-0020574-01,513766002,16004495,Rebecka Isaksson,Dengue RdRp,CNP11,CCCOc1cc(ccc1[Br])S(n1cccn1)(=O)=O,A08,345.216,1.776,10,73.8,-33.2,-7.3,18.4,-38.1,-8.3,-62.6,-1.53,-0.42,0.86,0,0,0,0,0,0,0,0,0
9,RA-0020576-01,513766003,49674633,Rebecka Isaksson,Dengue RdRp,CNP11,CCOc1ccc2c(c1)c(c(C#N)cn2)N1CCC(CC1)C(NCc1ccccc1F)=O,A09,432.498,3.446,10,26.9,-21.2,-5.7,1.0,-44.6,-24.0,-38.3,-1.25,-0.37,0.21,0,0,0,0,0,0,0,0,0
10,RA-0020577-01,513766004,49666140,Rebecka Isaksson,Dengue RdRp,CNP11,C(c1cccc(c1)F)N(c1ccc2c(c1)OCCO2)S(c1ccc2nncn2c1)(=O)=O,A10,440.454,1.914,10,70.4,-8.6,-2.2,11.3,-55.8,-20.9,-82.4,-0.71,-0.20,8.17,0,0,0,0,0,0,0,0,0
11,RA-0020578-01,513766005,49667494,Rebecka Isaksson,Dengue RdRp,CNP11,Cc1ccc(cc1)N1CN(CC(Nc2ccccc2[Cl])=O)S(c2cccnc12)(=O)=O,A11,442.926,3.942,10,64.2,-17.7,-6.7,4.4,-45.3,-25.9,-123.9,-1.53,0.13,0.45,0,0,0,0,0,0,0,0,0
12,RA-0020583-01,513766006,16880442,Rebecka Isaksson,Dengue RdRp,CNP11,CCn1c(c2cn(C)nc2OC)nnc1SCC(N(C)c1ccccc1)=O,A12,386.479,1.657,10,> 100,-11.4,-2.5,4.3,-41.1,-23.5,8.0,-1.26,0.00,0.56,0,0,0,0,0,0,0,0,0
13,RA-0020585-01,513766007,16884333,Rebecka Isaksson,Dengue RdRp,CNP11,CCC(C)NS(CCCOc1ccc(cc1)F)(=O)=O,B01,289.370,2.826,10,> 100,10.3,-4.9,28.8,0.0,-9.5,-63.1,-0.53,-0.90,-0.19,0,0,0,0,0,0,0,0,0
14,RA-0020588-01,513766008,44017038,Rebecka Isaksson,Dengue RdRp,CNP11,CC(C(N1CCC2(CC1)C(N(Cc1ccc(C)cc1)C(N2)=O)=O)=O)Oc1ccccc1,B02,421.495,2.635,10,92.4,8.8,-7.3,22.5,-2.0,22.5,-57.6,-0.61,-1.03,-0.01,0,0,0,0,0,0,0,0,0
15,RA-0020592-01,513766009,25885195,Rebecka Isaksson,Dengue RdRp,CNP11,CCOc1ccc(cc1)C1=CC(N(CC(N2CCC(CC2)Cc2ccccc2)=O)C=N1)=O,B03,431.534,3.640,10,25.5,5.3,-13.5,11.0,-16.4,4.3,-40.2,0.21,-1.03,2.13,0,0,0,0,0,0,0,0,0
16,RA-0020601-01,513766010,72720199,Rebecka Isaksson,Dengue RdRp,CNP11,Cc1cc(ccc1Nc1nc(cs1)c1ccoc1)OC,B04,286.354,3.974,10,23.4,-12.5,-13.9,16.4,-15.0,-20.1,-126.7,0.99,-1.05,0.16,0,0,0,0,0,0,0,0,0
17,RA-0020611-01,513766011,42959493,Rebecka Isaksson,Dengue RdRp,CNP18,CC(C)NC(=O)NC=1C=CC=C(C1)C(=O)NC(C)C=2C=CC=C(Br)C2,B05,404.307,3.727,10,77.9,3.7,4.3,34.3,-0.5,28.6,26.3,-5.32,-1.08,0.00,0,0,0,0,0,0,0,0,0
18,RA-0020622-01,513766012,53601834,Rebecka Isaksson,Dengue RdRp,CNP18,CC(NC=1C=CC=2OC(=O)NC2C1)C(=O)NC=3C=CC=CC3C#N,B06,322.323,1.736,10,92.3,8.8,-0.8,14.5,-4.7,-6.8,28.0,0.07,-1.22,0.28,0,0,0,0,0,0,0,0,0
19,RA-0020625-01,513766013,154799032,Rebecka Isaksson,Dengue RdRp,CNP18,CN(C)C(=O)C=1C=NC=C(C1)C=2C=CC=C(C2)C3(CC3)C#N,B07,291.353,2.152,10,> 100,4.9,3.4,23.7,-5.0,-3.0,-67.1,0.15,-0.03,0.11,0,0,0,0,0,0,0,0,0
20,RA-0020628-01,513766014,175673068,Rebecka Isaksson,Dengue RdRp,CNP18,OC(=O)C1OCCC=2C(=CC=CC12)C=3C=CC=C(C3)C4(CC4)C#N,B08,319.359,2.615,10,> 100,-2.3,-4.3,20.9,-6.6,-11.3,-60.5,-1.43,0.11,0.02,0,0,0,0,0,0,0,0,0
21,RA-0020629-01,513766015,166391202,Rebecka Isaksson,Dengue RdRp,CNP18,CC1=CC(NC(=O)C=2C=CC(F)=C(C2)C(C)(C)C#N)=NN1C,B09,300.336,2.547,10,> 100,1.8,-0.8,22.3,-3.0,-1.7,-51.4,-0.05,0.10,0.04,0,0,0,0,0,0,0,0,0
22,RA-0020634-01,513766016,154765501,Rebecka Isaksson,Dengue RdRp,CNP18,FC(F)(F)C=1C=CC(CC(=O)N2CC=3C=CC=NC3C2)=CN1,B10,307.274,1.106,10,80.8,6.8,0.2,22.0,-5.9,-4.3,-94.2,0.17,-0.10,4.32,0,0,0,0,0,0,0,0,0
23,RA-0020639-01,513766017,154862819,Rebecka Isaksson,Dengue RdRp,CNP18,CCS(=O)(=O)C1=CC=C(CNC=2N=C3C=CC=CC3=CC2C#N)S1,B11,357.457,2.798,10,71.8,22.3,-4.8,28.4,-13.4,-0.6,-73.7,-0.12,0.17,0.25,0,0,0,0,0,0,0,0,0
24,RA-0020641-01,513766018,155858304,Rebecka Isaksson,Dengue RdRp,CNP18,FC(F)(F)C=1C(C#N)=C(Cl)N=C2C=CC=CC12,B12,256.614,3.363,10,75.8,10.0,3.9,31.1,-10.0,-1.2,-47.1,0.67,0.05,0.13,0,0,0,0,0,0,0,0,0
25,RA-0020643-01,513766019,167962491,Rebecka Isaksson,Dengue RdRp,CNP17,FC=1C=CC(CNC=2C=CC=C(N2)S(=O)(=O)F)=CC1,C01,284.285,2.351,10,> 100,13.0,-3.3,16.7,-1.5,0.5,-98.2,1.19,-1.10,-0.40,0,0,0,0,0,0,0,0,0
26,YNW98,513766020,175673069,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)CC(O)=O)=O)(=O)=O)=C3)S2)=NC=N1,C02,421.446,2.289,10,not tested,15.7,-7.1,9.9,0.7,8.1,-64.6,11.90,-1.16,-0.19,0,0,0,0,0,0,0,0,0
27,RA-0020647-01,513766021,175673070,Rebecka Isaksson,Dengue RdRp,CNP17,CN(CCCC=1SC=NC1C)C=2C=NC(=C(Br)C2)S(=O)(=O)F,C03,408.315,3.015,10,97.9,16.7,-2.9,21.9,1.5,0.4,-94.3,0.05,-0.94,0.62,0,0,0,0,0,0,0,0,0
28,RA-0020650-01,513766022,175673071,Rebecka Isaksson,Dengue RdRp,CNP17,COC(=O)C=1C=CC(=NC1)C2CN(C2)C=3C=CN=C(C3)S(=O)(=O)F,C04,351.357,1.693,10,> 100,16.7,0.4,22.5,1.6,11.4,-28.7,0.10,-1.03,-0.16,0,0,0,0,0,0,0,0,0
29,RA-0020651-01,513766023,175673072,Rebecka Isaksson,Dengue RdRp,CNP17,CC(C)C1=CON=C1CNC=2C=CN=C(C2)S(=O)(=O)F,C05,299.325,1.550,10,> 100,16.8,-0.1,13.0,-1.2,-0.4,11.6,0.20,-1.22,-0.29,0,0,0,0,0,0,0,0,0
30,RA-0020661-01,513766024,3091419,Rebecka Isaksson,Dengue RdRp,CNP19,ClC(C(=O)NC1=CC=CC=C1)C(=O)C1=CC=CC=C1,C06,273.718,2.553,10,> 100,100.0,37.9,98.6,20.3,61.4,100.6,1.66,-1.14,-0.11,1,0,1,0,0,1,0,0,3
31,RA-0020666-01,513766025,94539592,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP19,OC(=O)C[C@H]1CCCN(C1)C(=O)C=C,C07,197.233,0.770,10,> 100,14.4,0.0,22.4,-6.8,5.9,-64.4,0.23,0.00,-0.03,0,0,0,0,0,0,0,0,0
32,RA-0020667-01,513766026,60832012,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP19,OC(=O)C1=CC=CC2=C1CCCN2C(=O)C=C,C08,231.250,1.846,10,> 100,17.0,-1.2,18.6,-5.3,-5.1,-51.3,0.28,-0.11,0.13,0,0,0,0,0,0,0,0,0
33,RA-0020680-01,513766027,1090982,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,OC(=O)C1=NOC(=C1)C1=CC=CO1,C09,179.131,0.585,10,> 100,20.4,-3.7,19.4,1.9,3.3,-23.7,-0.19,-0.23,0.22,0,0,0,0,0,0,0,0,0
34,RA-0020683-01,513766028,920381,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,ClC1=CC=CC(=C1)C1=NOC(=C1)C#N,C10,204.616,2.316,10,> 100,15.6,-0.7,26.6,-0.8,1.7,-135.0,0.35,0.06,6.05,0,0,0,0,0,0,0,0,0
35,RA-0025309-01,513766029,93451131,Alvaro Magalhaes,SARS CoV-2 nsp13,NA,CS(CCCNC[C@@H](O)C1=CC=CC=C1)(=O)=O,C11,257.353,-0.087,10,> 100,14.7,-0.1,20.9,-6.9,1.2,-65.9,0.19,-0.26,0.33,0,0,0,0,0,0,0,0,0
36,RA-0025310-01,513766030,166336988,Alvaro Magalhaes,SARS CoV-2 nsp13,NA,COC1=CC=CC(C(NCCOCC2=CC(N)=CC=C2)=O)=C1,C12,300.357,1.677,10,55.9,13.7,-1.4,23.9,-10.5,4.4,-63.9,2.24,-0.25,0.27,0,0,0,0,0,0,0,0,0
37,RA-0025394,513766031,175673073,Hadia Almahli,SARS Rdrp,CNP7,O=C(NC=1C=CC(OC=2C=CC=CC2)=CC1)C=3C=CC(=NC3)C4=NN=NN4,D01,358.360,2.559,10,62.3,15.0,-1.3,15.2,0.7,10.6,-10.3,-0.67,-0.68,-0.15,0,0,0,0,0,0,0,0,0
38,RA-0025398,513766032,175673074,Hadia Almahli,SARS Rdrp,CNP7,O=C(NC=1C=CC(=CC1)C2=NN=NN2)C=3C=CC(OC=4C=CC=CC4)=CC3,D02,357.372,3.469,10,86.5,16.2,-0.8,16.4,0.3,17.2,-19.7,-1.24,-0.94,-0.19,0,0,0,0,0,0,0,0,0
39,RA-0025402,513766033,1669188,Hadia Almahli,SARS Rdrp,CNP23,O=S(C1=CC=CC=C1)(/C(C#N)=C/C2=CC(OC)=C(OC)C=C2)=O,D03,329.375,2.270,10,75.2,16.3,0.6,12.6,-0.1,3.6,-60.8,-0.35,-0.90,2.60,0,0,0,0,0,0,0,0,0
40,RA-0188576-01,513766034,175673075,Hadia Almahli,SARS Rdrp,CNP18,N#Cc1c(C(F)(F)F)c2ccccc2nc1NC[C@@H]1NCCC1,D04,320.317,2.814,10,72.9,99.7,9.8,53.6,12.8,17.7,-78.9,-0.31,-1.13,0.41,1,0,0,0,0,0,0,0,1
41,RA-0188579-01,513766035,175673076,Hadia Almahli,CHIKV nsp2 helicase,CNP18,NC(C[C@H](CN(C1)c2nc3ccccc3c(C(F)(F)F)c2C#N)[C@@H]1O)=O,D05,364.326,1.699,10,14.3,9.7,-4.9,28.3,0.8,11.6,-24.4,0.86,-0.69,0.17,0,0,0,0,0,0,0,0,0
42,RA-0188580-01,513766036,175673077,Rebecka Isaksson,DENV RdRp,CNP18,N#Cc(ccc(NC(C1)Cc2c1cccc2O)c1)c1Cl,D06,284.745,3.381,10,97.1,100.0,65.2,101.0,25.0,100.9,100.4,0.34,-0.91,0.54,1,0,1,0,1,1,0,0,4
43,RA-0020664-01,513766037,4162926,Rebecka Isaksson,DENV Rdrp,CNP19,FC(F)(F)C1=CC=CC(NC(=O)C(Cl)C(=O)C2=CC=CC=C2)=C1,D07,341.715,3.401,10,97.2,101.1,46.6,99.6,34.5,100.0,100.6,1.13,0.04,0.10,1,0,1,0,1,1,0,0,4
44,RA-0020676-01,513766038,1085896,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1=CC=CN=C1,D08,401.529,2.262,10,41.8,12.6,-2.5,25.7,-1.1,5.7,-44.9,-0.60,0.18,0.27,0,0,0,0,0,0,0,0,0
45,RA-0020678-01,513766039,3157289,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,COC1=CC=CC(=C1)C(=O)NC1=NC2=CC(Cl)=C(OC)C=C2S1,D09,348.809,4.076,10,24.8,2.3,-4.3,19.1,-30.8,-13.2,-74.4,0.40,-0.27,4.42,0,0,0,0,0,0,0,0,0
46,RA-0020681-01,513766040,1090307,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,OC1=CC=C(CN2CCN(CC2)C2=CC=CC=C2F)C2=CC=CN=C12,D10,337.397,2.927,10,21.7,6.5,14.6,18.1,-2.4,6.5,95.2,-0.05,0.15,1.25,0,0,0,0,0,1,0,0,1
47,RA-0188313-01,513766041,865868,Alvaro Magalhaes,CHIKV nsp2 helicase,CNP21,NC(CSC1=NN=C(COC2=CC=CC=C2)N1C3=CC=CC=C3)=O,D11,340.406,1.672,10,> 100,15.3,0.8,23.4,-3.2,2.8,-39.3,0.36,0.48,0.12,0,0,0,0,0,0,0,0,0
48,EMN1-1,513766042,175673078,Evans Mainsah,Onchocerca volvulus and Brugia malayi (unknown targets),Open Source Onchocerciasis Schiffbases,O=C(N/N=C/C1=CN=C(C(F)(F)F)N=C1)C2=CC=NC=C2,D12,295.224,1.375,10,> 100,16.7,10.4,21.6,-2.2,11.2,17.0,1.52,0.13,0.15,0,0,0,0,0,0,0,0,0
49,EMN2-1,513766043,175673079,Evans Mainsah,Onchocerca volvulus and Brugia malayi (unknown targets),Open Source Onchocerciasis Schiffbases,O=C(N/N=C/C1=CC=NC=C1O)C2=CC=NC=C2,E01,242.237,0.854,10,> 100,22.0,12.6,22.8,18.6,1.4,79.2,-1.89,-0.38,-0.10,0,0,0,0,0,0,0,0,0
50,EMN4-1,513766044,175673080,Evans Mainsah,Onchocerca volvulus and Brugia malayi (unknown targets),Open Source Onchocerciasis Schiffbases,O=C(N/N=C/C1=CN=C(N)N=C1)C2=CC=NC=C2,E02,242.241,0.330,10,> 100,19.2,-1.4,11.3,-0.9,-2.1,3.9,0.04,-0.71,-0.16,0,0,0,0,0,0,0,0,0
51,EMN6-1,513766045,175673081,Evans Mainsah,Onchocerca volvulus and Brugia malayi (unknown targets),Open Source Onchocerciasis Schiffbases,O=C(N/N=C/C1CCOCC1)C2=CC=NC=C2,E03,233.270,0.626,10,> 100,16.0,0.4,13.2,-1.6,1.1,-26.5,4.75,-2.72,1.63,0,0,0,0,0,0,0,0,0
52,EMN10-1,513766046,135479730,Evans Mainsah,Onchocerca volvulus and Brugia malayi (unknown targets),Open Source Onchocerciasis Schiffbases,O=C(C1=CC=NC=C1)N/N=C/C2=NC3=C(O)C=CC=C3C=C2,E04,292.297,2.225,10,96.9,23.3,13.7,37.1,8.6,-1.7,-33.7,-0.55,-0.77,0.56,0,0,0,0,0,0,0,0,0
53,EC009-1,513766047,175673082,Eve Carter,P. aeruginosa Mur Ligases,OSA murligase,O=S(NC1C(C2)CCC2C1)(C3=CC=C(N(C)C(O4)=O)C4=C3)=O,E05,322.384,2.044,10,69.9,17.3,-1.8,25.8,-0.9,-2.3,-18.8,-0.64,-0.53,-0.13,0,0,0,0,0,0,0,0,0
54,EC015-2,513766048,175673083,Eve Carter,Human ABHD2,CNP6,O=C(N1CCCCC1CC2=CC=CC=C2)N3CCCCC3,E06,286.417,3.949,10,28.7,7.0,-2.3,16.8,-3.6,18.1,-79.6,0.89,-0.54,-0.19,0,0,0,0,0,0,0,0,0
55,EC055-1,513766049,21210483,Eve Carter,Progesterone receptor,Literature procedure,O=S(C1=CC=CC(C(F)(F)F)=C1)(NC2=CC=C(OC3=CC=CC=C3)C=C2)=O,E07,393.384,4.203,10,24.8,81.9,59.2,67.9,-5.4,90.0,25.3,0.53,-0.45,1.23,1,0,0,0,1,0,0,0,2
56,EC056-1,513766050,134133105,Eve Carter,Progesterone receptor,Literature procedure,O=S(C1=CC=CC(Cl)=C1)(NC2=CC=C(C(C3=CC=CC=C3)=O)C=C2)=O,E08,371.843,3.695,10,93.5,64.6,15.2,80.1,4.1,86.3,-41.2,0.06,-0.37,0.62,0,0,1,0,1,0,0,0,2
57,GF-209,513766051,175673084,Gui Fernandes,TB Mur Ligases,OSA Series3,FC(C=C1)=NC=C1COC2=NC(N3CCC(C(N)=O)CC3)=NC(N(C4)CCN5C4=NN=C5C(F)(F)F)=N2,E09,522.470,-1.110,11.4,> 100,16.7,-4.6,11.7,-2.6,-3.5,-84.0,1.56,0.05,0.12,0,0,0,0,0,0,0,0,0
58,GF-202,513766052,175673085,Gui Fernandes,TB Mur Ligases,OSA Series3,FC(C=C1)=NC=C1COC2=NC(N3CCC(C(N)=O)CC3)=NC(N4CCOCCC4)=N2,E10,431.210,-0.640,11.3,> 100,18.4,-0.8,9.9,-3.0,-2.1,-78.3,0.92,-0.11,1.34,0,0,0,0,0,0,0,0,0
59,Gf-72,513766053,175673086,Gui Fernandes,TB Mur Ligases,OSA Series3,O=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCC(N5CCOCC5)CC4)C(F)=C3)(=O)=O)=CC=C2NC1=O,E11,521.543,1.183,5.7,54.9,14.7,4.3,19.7,-6.4,1.6,-44.5,0.48,-0.07,0.31,0,0,0,0,0,0,0,0,0
60,Gf-73,513766054,175673087,Gui Fernandes,TB Mur Ligases,OSA Series3,O=C(N1)C2=CC(S(NC3=CC(F)=C(N4CCN(C5=CC=CC=N5)CC4)C(F)=C3)(=O)=O)=CC=C2NC1=O,E12,514.512,1.637,5.8,26.7,10.2,4.6,24.0,0.9,9.5,-114.9,1.70,-0.09,0.46,0,0,0,0,0,0,0,0,0
61,Gf-75,513766055,175673088,Gui Fernandes,TB Mur Ligases,OSA Series3,O=C(N1)C2=CC(S(NC3=CC(F)=C(NCCN4CCOCC4)C(F)=C3)(=O)=O)=CC=C2NC1=O,F01,481.479,0.329,6.2,> 100,17.7,-1.9,12.0,-4.3,1.0,-21.1,-0.11,-0.98,-0.03,0,0,0,0,0,0,0,0,0
62,RA-0025385,513766056,167896242,Hadia Almahli,SARS RdRp,CNP7,ClC=1C=CC(CC2(CCC2)NS(=O)(=O)C=3C=CC(=CC3)C4=NN=NN4)=C(Cl)C1,F02,438.338,3.875,10,87.9,17.0,22.7,65.8,0.1,22.2,-103.5,0.39,-1.11,-0.27,0,0,0,0,0,0,0,0,0
63,RA-0025392,513766057,175673089,Hadia Almahli,SARS Nsp15,CNP7,O=S(=O)(NC=1C=CC(OC=2C=CC=CC2)=CC1)C=3C=CC(=CC3)C4=NN=NN4,F03,393.426,2.621,10,72.7,70.0,-18.3,34.1,0.1,21.7,-30.5,0.21,-0.36,1.69,0,0,0,0,0,0,0,0,0
64,RA-0025396-01,513766058,175673090,Hadia Almahli,SARS Rdrp,CNP7,O=C(NC=1C=CC(OC=2C=CC=CC2)=CC1)C=3C=CC=C(C3)C=4N=NNN4,F04,357.372,3.469,10,> 100,9.5,-3.6,18.8,-9.6,5.9,-19.0,0.25,-0.70,1.82,0,0,0,0,0,0,0,0,0
65,KPL45,513766059,175673091,Kangping Lui,Human WDR91,CNP14,O=C(C1=CC=C(N2CCOCC2)C=C1)NC3(COC3)C4=CC(OC)=CC(OC)=C4,F05,398.457,1.919,10,78.5,11.7,2.4,19.4,0.5,0.1,-72.0,-0.06,-0.56,-0.15,0,0,0,0,0,0,0,0,0
66,KPL36,513766060,175673092,Kangping Lui,Human WDR91,CNP14,BrC(C=C1)=CC=C1C2(NC(C3=CC=C(N4CCOCC4)C=C3)=O)COC2,F06,417.302,2.784,10,51.9,5.3,1.4,17.5,-5.3,4.3,-56.4,-0.73,-1.00,0.18,0,0,0,0,0,0,0,0,0
67,KPL57,513766061,175673093,Kangping Lui,Human WDR91,CNP14,ClC(C=C1)=CC=C1C2(NC(C3=CC=C(N4CCCCC4)C=C3)=O)COC2,F07,370.879,3.829,10,15.8,4.2,-22.2,13.9,-30.0,-14.0,-54.3,0.25,-0.15,0.30,0,0,0,0,0,0,0,0,0
68,MA3,513766062,175673094,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,COC1=CC2=NC(C3=CC=C(OC)C=C3)=NC(N4CC(N(C)C)CC4)=C2C=C1OC,F08,408.500,3.057,10,77.5,10.4,-3.7,39.9,6.4,-11.0,2.3,3.41,0.73,0.31,0,0,0,0,0,0,0,0,0
69,MA9,513766063,175673095,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,COC1=CC2=NC(N3CCC(N(C)C)C3)=NC(N4CCN(C(OC(C)(C)C)=O)CC4)=C2C=C1OC,F09,486.615,3.038,10,91.7,7.9,-7.3,29.6,2.6,10.1,-73.8,3.78,-0.06,0.17,0,0,0,0,0,0,0,0,0
70,MA15,513766064,175673096,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,COC1=CC2=NC(NC3=NNC(C)=C3)=NC(NC4CCN(C(OC(C)(C)C)=O)CC4)=C2C=C1OC,F10,483.571,3.722,10,7.8,99.8,48.6,70.4,14.5,78.8,-107.7,3.94,0.14,2.10,1,0,0,0,0,0,0,0,1
71,MA20,513766065,175673097,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,CC1=CC(NC2=NC(NC3=NNC(C)=C3)=NC4=CC(OC)=C(OC)C=C42)=NN1,F11,380.411,2.341,10,not tested,37.5,18.8,19.6,12.7,49.1,84.2,1.15,0.77,0.21,0,0,0,0,0,1,0,0,1
72,MA21,513766066,175673098,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,COC1=CC2=NC(NCCCN(C)C)=NC(N3CC(N(C)C)C3)=C2C=C1OC,F12,388.514,1.313,10,> 100,37.5,17.3,29.9,11.5,2.1,-117.7,5.58,1.59,0.15,0,0,0,0,0,0,0,0,0
73,MA25,513766067,175673099,Mohsen Alamoudi,Plasmodium falciparum WD-RBBP4-ortho,CNP13,COC1=C(OC)C=C(N=C(NC2=NNC(C)=C2)N=C3N4CC(N(C)C)C4)C3=C1,G01,383.454,1.685,10,83.6,33.0,3.3,17.5,5.1,-10.1,13.3,1.81,-0.37,0.20,0,0,0,0,0,0,0,0,0
74,RA-0025399-01,513766068,175673100,Hadia Almahli,SARS Rdrp,CNP7,O=C(NC=1C=CC(OC2CCCCC2)=CC1)C=3C=CC(=CC3)C4=NN=NN4,G02,363.420,3.559,10,92.5,7.2,-15.8,17.1,1.1,6.2,6.1,-0.39,-1.07,0.08,0,0,0,0,0,0,0,0,0
75,RA-0020649-01,513766069,175673101,Rebecka Isaksson,DENV Rdrp,CNP17,COC=1C=CC(=CC1)C2=CC=C(CNC=3C=CN=C(C3)S(=O)(=O)F)S2,G03,378.447,3.594,10,41.9,24.7,8.2,38.0,5.8,14.7,98.4,-0.56,-0.88,2.61,0,0,0,0,0,1,0,0,1
76,RA-0020636-01,513766070,139010151,Rebecka Isaksson,DENV Rdrp,CNP18,OC=1C=CC=C2CC(CC21)NC=3C=CC(C#N)=C(C3)C(F)(F)F,G04,318.297,3.623,10,95.2,99.7,68.5,100.0,22.3,100.5,100.0,-0.18,-0.65,2.84,1,0,1,0,1,1,0,0,4
77,RA-0020572-01,513766071,27371795,Rebecka Isaksson,DENV Rdrp,CNP11,Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCN(CC1)c1c2c(c3cccnc3s2)ncn1)=O,G05,486.642,3.967,10,97.4,6.2,-3.6,5.1,9.2,1.0,24.6,9.54,-1.18,0.27,0,0,0,0,0,0,0,0,0
78,RA-0020564-01,513766072,18593471,Rebecka Isaksson,DENV Rdrp,CNP11,CC1(C)C2CCC1(C)C(C2)OCC(CNC1CCCCC1)O,G06,309.492,2.885,10,> 100,17.0,29.4,79.1,19.9,100.1,100.2,-0.80,-1.25,0.00,0,0,0,0,1,1,0,0,2
79,RA-0020563-01,513766073,18582264,Rebecka Isaksson,DENV Rdrp,CNP11,C(Cn1ccc2ccccc12)NC(Nc1c[nH]c2ccccc12)=O,G07,318.379,2.649,10,65.2,1.8,1.2,55.0,-5.8,8.4,-13.8,1.09,0.72,0.22,0,0,0,0,0,0,0,0,0
80,WEL2.92a,513766074,175673102,Wellington da Silva,Plasmodium falciparum,OSM Series 6,COC1=CC=C2C(N=C(C3=CNC4=C3C=C(N5CCSCC5)C=C4)C6=C2C=CN6)=C1,G08,414.532,3.811,10,3.5,98.1,98.1,96.3,9.5,97.0,95.0,3.00,0.14,1.04,1,1,1,0,1,1,0,0,5
81,WEL2.76,513766075,175673103,Wellington da Silva,Plasmodium falciparum,OSM Series 6,COC1=CC=C2C(N=C(C3=CNC4=C3C=CC(N5CCOCC5)=C4)C6=C2C=CN6)=C1,G09,398.465,3.404,10,18.6,101.1,53.1,95.9,14.1,98.5,-104.1,1.53,0.19,0.68,1,0,1,0,1,0,0,0,3
82,RA-0025322-01,513766076,17550406,Xin Qui,SARS nsp13 helicase,CNP12,CC(NCCC(NNC(C1=CC(C2=NC=CC=C2)=NC3=CC=CC=C13)=O)=O)=O,G10,377.403,0.868,10,67.3,-6.7,-4.6,4.1,-5.5,-9.8,-14.4,-0.10,-0.28,0.54,0,0,0,0,0,0,0,0,0
83,WEL2.109b,513766077,175673104,Wellington da Silva,Plasmodium falciparum,OSM Series 6,COC1=CC=C2C(N=C(C3=CC=CN3)C4=C2C=CN4)=C1,G11,263.299,2.509,10,> 100,101.6,34.2,100.6,43.8,100.0,100.6,1.82,0.15,0.05,1,0,1,0,1,1,0,0,4
84,Target 17,513766078,175673105,Xin Qui,Plasmodium falciparum,OSM Series 4,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCCC(F)(F)F)N32,G12,388.295,3.104,10,99.2,-9.5,-14.8,4.9,-7.2,-9.0,-49.2,-0.29,-0.24,0.05,0,0,0,0,0,0,0,0,0
85,Target 25,513766079,175673106,Xin Qui,Plasmodium falciparum,OSM Series 4,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(OC)C4=CC=CC=C4)N32,H01,412.395,2.511,10,92.5,-22.8,-16.4,-15.5,-38.8,-28.1,-17.3,-0.71,-0.54,-0.09,0,0,0,0,0,0,0,0,0
86,RA-0001351,513766080,2303354,Xin Qui,SARS Nsp12 RdRp,CNP16,O=C1C=C(C)/C(C(C)=C1)=N/OS(=O)(C2=CC=C(Cl)C=C2)=O,H02,325.771,4.121,10,71.4,98.2,-15.4,-8.8,-42.6,-20.5,-1.7,-0.50,-0.72,0.08,1,0,0,0,0,0,0,0,1
87,RA-0025382-01,513766081,175673107,Xin Qui,SARS Nsp15,CNP12,O=C(C1=NC2=C(C=CC=C2Cl)C=C1)NC3=NN=C4C=CC=CN34,H03,323.742,2.705,10,23.5,-41.5,-14.5,-14.2,-51.6,-43.8,25.9,-0.88,-0.58,2.79,0,0,0,0,0,0,0,0,0
88,YNW69,513766082,175673108,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C4CCCN4)=O)(=O)=O)=C3)S2)=NC=N1,H04,403.486,1.562,10,> 100,48.7,-13.0,-10.6,-67.2,-40.7,-16.7,5.56,-0.89,0.25,0,0,0,0,0,0,0,0,0
89,YNW5-2,513766083,44528665,Yinou Wang,Plasmodium falciparum AsnRS,OSM Series 3,NC1=C2C(C=C(S2)C3=CC=CC(S(=O)(N)=O)=C3)=NC=N1,H05,403.486,1.562,10,96.4,27.3,-9.5,-11.6,1.2,91.6,-67.9,50.46,0.72,-0.35,0,0,0,0,1,0,1,0,2
90,YNW85,513766084,175673109,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)CC(C)C)=O)(=O)=O)=C3)S2)=NC=N1,H06,419.529,1.974,10,98.7,-17.7,-8.7,-8.7,-84.3,-22.3,43.5,11.97,-0.69,-0.41,0,0,0,0,0,0,0,0,0
91,YNW87,513766085,175673110,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)C(C)C)=O)(=O)=O)=C3)S2)=NC=N1,H07,405.502,1.520,10,> 100,-22.3,-15.1,-10.9,-28.5,-17.2,-122.7,16.17,-0.36,0.22,0,0,0,0,0,0,0,0,0
92,YNW86,513766086,175673111,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)C(C)CC)=O)(=O)=O)=C3)S2)=NC=N1,H08,419.529,1.974,10,> 100,-39.6,-17.8,-15.9,-29.6,-27.4,-21.7,10.26,-0.38,0.09,0,0,0,0,0,0,0,0,0
93,YNW88,513766087,175673112,Yinou Wang,Plasmodium falciparum (unknown target),OSM Series 3,NC1=C2C(C=C(C3=CC=CC(S(NC(C(N)C)=O)(=O)=O)=C3)S2)=NC=N1,H09,377.448,0.847,10,> 100,-35.4,-14.5,-25.6,-32.4,-31.8,-29.6,45.22,-0.29,0.13,0,0,0,0,0,0,0,0,0
94,WYH-6,513766088,446816,Yuhang Wang,P. aeruginosa Mur Ligases,OSA Series 1,CC(C)(C)C1=NN(C)C(NC(NC2=CC=C(Cl)C=C2)=O)=C1,H10,306.796,3.457,10,92.1,-18.4,-12.0,83.0,12.6,99.4,-75.2,0.44,-0.35,0.90,0,0,1,0,1,0,0,0,2
95,WYH-15,513766089,175673113,Yuhang Wang,P. aeruginosa Mur Ligases,OSA Series 1,CC(C)(C)C1=CC(NC(NC2=CC=C(Cl)C=C2)=O)=NN1C,H11,306.796,3.457,10,68.8,-14.7,-22.0,-3.0,-25.0,-30.4,-94.0,0.57,-0.42,0.27,0,0,0,0,0,0,0,0,0
96,WYH-9,513766090,86765987,Yuhang Wang,P. aeruginosa Mur Ligases,OSA Series 1,CC(C)C1=CC(NC2=NC(N[C@@H](CO)C3CCCCC3)=NC4=C2C=NN4)=NN1,H12,384.486,2.157,10,7.9,-3.9,-4.2,57.6,-18.2,99.1,-64.0,0.54,-0.42,1.61,0,0,0,0,1,0,0,0,1
,,,,,,,,,,,,,n=2,n=1,n=1,n=1,n=1,n=2,,,n=2,,,,,,,,,