SMILES,Predicted_activity,Probability
CCn1cc(C(=O)O)c(=O)c2c(F)c(N3CCNCC3)n(F)c21,1,0.9318495988845825
CC(=O)OCc1ccc(Cl)cc1Cl,0,0.9948827028274536
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8531956076622009
Oc1cnc(Cl)c2ccccc12,0,0.9389194846153259
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
NCC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CO1,1,0.7846951484680176
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)CC1,1,0.9673447012901306
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CCC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,1,0.8560106158256531
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
CCn1cc2c(N3CCNCC3)c(F)cc-2c(=O)c(C(=O)O)c1,1,0.8546392321586609
CSn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9230949878692627
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
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CN(C)C1C(=O)N2C(C(=O)O)=C(Cc3nnnn3C)CSC12,1,0.897712767124176
COC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.951654851436615
CC(CO)OC1C(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.5013205409049988
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)cc21,1,0.9521006941795349
C=C(C)Oc1ccc(CC(=O)O)cc1Cl,0,0.9967093467712402
COc1ccc(Cc2cnc(N)nc2)cc1C,0,0.726137101650238
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306
COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.615841269493103
CC(N)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.8930479884147644
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.8850416541099548
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCC(O)COc1ccccc1[N+](=O)[O-],0,0.994881272315979
O=C(O)CCC12C=CC=CC1=C2O,0,0.9969905614852905
CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCNCC3)nc21,1,0.9339983463287354
CC(CNCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12)c1csc(N)n1,1,0.9871754050254822
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
Oc1c(Cl)cc(Cl)cc1Cl,0,0.9917962551116943
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CO1,1,0.6029909253120422
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794
C=C1C(C(=O)O)=CN(CC)c2cc(N3CCNCC3)c(F)cc21,1,0.786750316619873
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC(C)(C)Cc1ccc(C(O)(F)F)c(F)c1Cl,0,0.9856716394424438
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932
CC1CCCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9185641407966614
Cc1cc(Cl)cc(Cl)c1C(=O)CC(C)C,0,0.9950157999992371
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
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
COC1=CC(Cl)=CC(O)=C2C=CC=CC12Cl,0,0.9965692758560181
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935
COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8806175589561462
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
CC(C)CCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9628556370735168
CCn1cc(C(=O)O)c(=O)c2cc(C3CCNCC3)n(F)c21,1,0.7241681814193726
CC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8352848887443542
CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.8660973906517029
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(N3CCN(C)CC3)cc21,1,0.9392331838607788
CCN1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9070504903793335
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,1,0.9197015762329102
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
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932
O=C1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8638494610786438
CCN1C=C(C(=O)O)C(=O)C2=CC(F)=C(N3CCNCC3)N(N)N21,1,0.6362583637237549
Cc1cc(O)c(Cl)cc1Cl,0,0.9951863884925842
Cc1cc(Cl)ccc1OCc1cccc(Cl)c1Cl,0,0.985191822052002
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
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)Oc1ccc([N+](=O)[O-])o1,0,0.9863885045051575
CN(C)c1ccc([N+](=O)[O-])o1,0,0.9921342134475708
Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8478049635887146
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
CC(=O)Oc1ccc(Cl)c2ccccc12,0,0.9839479327201843
Cc1ccccc1OCc1ccc(Cl)cc1Cl,0,0.9744739532470703
Cc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1,0.9480035901069641
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1,1,0.9330685138702393
Cc1cc(C(C)(C)C)c(O)cc1OCOc1c(Cl)cc(Cl)cc1Cl,0,0.9910372495651245
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
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
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC3)nc21,1,0.9437906742095947
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
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1[S-],0,0.6871803998947144
O=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)NC1,1,0.9474763870239258
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306
NCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9521172642707825