Dataset | d.tsv

Galaxy Dataset ' d.tsv'


Name,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATSc1,ATSc2,ATSc3,ATSc4,ATSc5,ATSm1,ATSm2,ATSm3,ATSm4,ATSm5,ATSp1,ATSp2,ATSp3,ATSp4,ATSp5,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,CrippenLogP,CrippenMR,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,Activity
ZINC78964140,0,0.8466,0.71673156,11.3123,5.940379,0,0,5,2,3,0,1,0,0,0,0,0,1,0,0,1,0.049788032,-0.024894016,0,0,0,9.712949908,2.951770639,0,0,0,36.76678025,18.2149,0,0,0,0,11.99947321,34.96937947,-0.223427552,0.084080526,3.96735499,4.58814501,1,4,4,4,1,0,0,0,0,0,3.699621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,2.133893419,1.133893419,0,0,0,0,0,0,0.855,11.777,2,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.193827161,1.182098765,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.193827161,0,0,0,3
ZINC00901212,0,0.6355,0.40386025,16.2707,8.380379,0,0,7,4,3,0,3,1,0,0,0,0,0,0,0,0,0.097551595,-0.024675456,-0.020829883,-0.003270458,0,4.359980301,3.166181933,2.166181933,1.166181933,0,80.179794,62.993823,38.346968,15.28512,0,0,11.95309148,14.04995439,-0.426043741,0.312460423,3.515802009,5.33800491,3,6,4,4,1,1,1,1,0,2,3.939621,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,2.231670646,0.920530223,0.33322359,0.091287093,0,0,0,0,0.62217,15.54,14,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.524652778,0.595833333,0,0,0,0,0,4
ZINC15633215,0,-1.3416,1.79989056,5.6967,6.860758,0,0,8,2,6,0,1,1,0,0,0,0,0,0,0,0,0.03366948,-0.01683474,0,0,0,2.359980301,1.166181933,0,0,0,30.4122005,15.20610025,0,0,0,0,11.99397739,14.00909661,-0.412559582,-4.81E-05,3.7855,4.0055,1,7,7,7,1,0,0,0,0,0,5.239242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,2.414213562,1.414213562,0,0,0,0,0,0,-1.1419,8.8121,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0,0,0,0,0,0,0,5
ZINC60189668,0,0.0694,0.00481636,12.3972,5.72,0,0,4,4,0,0,2,2,0,0,0,0,0,0,0,0,0.23784531,-0.059461328,-0.118922655,0.059461328,0,4.719960603,3.332363866,2.332363866,1.359980301,0,47.2323365,37.604308,22.889412,8.90127225,0,0,11.95310553,14.0499814,-0.394414389,0.394427332,3.18560039,4.288412552,3,3,1,1,1,0,0,2,0,2,1.32,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,1.894427191,0.697213596,0.223606798,0.05,0,0,0,0,0.03356,11.226,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6
ZINC25783052,0,0.0505,0.00255025,13.0125,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,0.181732883,-0.121155255,0.030288814,0,0,3.774469036,2.664183954,1,0,0,43.17296213,29.3411425,13.77337656,0,0,0,11.99668808,15.99794144,-0.413989067,0.06253844,3.668683033,3.99556517,2,8,8,8,2,0,0,0,0,0,8.475242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,2.408248291,0.816496581,0.408248291,0,0,0,0,0,0.2626,12.933,6,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7
ZINC15633213,0,-1.2393,1.53586449,11.3934,9.954344,0,0,11,3,8,0,2,1,0,0,0,0,0,0,0,0,0.069346133,-0.046230755,0.011557689,0,0,3.359980301,2.332363866,1,0,0,67.60474513,46.7043705,20.50504806,0,0,1,11.99383293,14.00909716,-0.403645422,0.002665854,4.50552521,5.171691074,2,10,10,10,2,0,0,0,0,0,8.745656,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,3,2,1,0,0,0,0,0,-1.1906,13.7734,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325,0,0,0,0,0,0,0,0,0,8
ZINC71769112,0,-0.1854,0.03437316,14.709,10.614344,0,0,11,3,8,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,1,0,0,66.75463513,46.1250555,20.23425306,0,0,0,11.89,12.11001818,-0.171994663,0.048131794,4.47952521,5.145691074,2,10,10,10,2,0,0,0,0,0,8.745656,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,1.4163,15.965,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6,0,0,9
ZINC12358605,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,0.083636047,-0.033238011,-0.008580013,0,0,3.774469036,2.332091977,1.332091977,0,0,46.73521063,32.24186,13.64521519,0,0,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,-0.0014,12.7598,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,10
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