SMILES,Predicted_activity,Probability
CCN1C=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9495472311973572
,0,0.9988452196121216
CC(C)(C)c1nc(N)c2cc(C3CCNCC3)n(F)cc-2c1=O,0,0.8454850316047668
CC1CCC1c1c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F,1,0.8438567519187927
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.615841269493103
CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8531956076622009
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224
CCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9357052445411682
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
O=C1C=C(Cl)C=C1Cl,0,0.988903820514679
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC1=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9120402932167053
CC(=O)Oc1ccc(Cl)cc1Cl,0,0.9858869910240173
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
,0,0.9988452196121216
CC(=O)Oc1ccc(Cl)c(Cl)c1Cl,0,0.999046266078949
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
,0,0.9988452196121216
CN1CNC(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC21,1,0.6624380946159363
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9104276895523071
COc1ccc(C(C)(C)CCC(=O)C(C)(C)C)cc1O,0,0.9953214526176453
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
,0,0.9988452196121216
O=C1CCOC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.7212211489677429
,0,0.9988452196121216
,0,0.9988452196121216
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224
,0,0.9988452196121216
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC(=O)CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9166823625564575
,0,0.9988452196121216
COC1C2=CC(C3CCNCC3)=C21,0,0.997317373752594
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9559361338615417
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9530918002128601
,0,0.9988452196121216
,0,0.9988452196121216
CC1CN=C(C(=O)O)C(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.6936272382736206
,0,0.9988452196121216
Nc1nnnn1CCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9763588905334473
CC(=O)OC1C(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.7527074813842773
,0,0.9988452196121216
CCN1C=CC=C(O)c2ccc(N3CCNCC3)nc21,0,0.5349985957145691
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
,0,0.9988452196121216
CCC1C=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8889309167861938
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788
CC(N)CC(=O)CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9273046255111694
,0,0.9988452196121216
,0,0.9988452196121216
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
,0,0.9988452196121216
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.8850416541099548
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9559361338615417
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)SSC12,1,0.8718698024749756
,0,0.9988452196121216
CC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)=N1,1,0.8652397990226746
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
,0,0.9988452196121216
CC(C)OCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.952967643737793
,0,0.9988452196121216
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224
,0,0.9988452196121216