Derify/antimalarial-classification · Datasets at Hugging Face

smiles string	label int64
CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC=CC(=C3)C#N)NC(=O)C4=CC=CC=C4Cl	1
C1=CC(=CC=C1C2=CC=NC=C2)C3=CN(N=N3)CCCCCC(=O)NO	1
CC(C)(C)C1=NC2=C(C=C(C=C2C=C1)OC)N(C)CCCNC(=O)N[C@H](CC3=CN=CN3)C(=O)O	1
CC1=CC(=NC(=N1)NC2CCCCC2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl	1
C[C@H]1[C@@H]2CC[C@]3(O[C@@H]4C2([C@@H](C[C@@H]1O)[C@H](C(=O)O4)C)OO3)C	1
C1CC2(CCC1CN)OC3(C4CC5CC(C4)CC3C5)OO2	1
C[C@@H](CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCC[C@]2(C)COC(=O)/C=C/C3=CC=C(C=C3)O)C)CC(=O)O	1
CCCCN=C1N(C(=O)C(=O)S1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl	1
COC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl	1
CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC(=CC=C4)Cl	1
C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=NC(=NC=C3)Cl	1
CC1(CC2=C(CN1)C(=CC(=C2C3=CC=C(C4=CC=CC=C43)O)OC)OC)C	1
C[C@@H]1CC[C@H](CC12OOC3(C[C@@H](CC[C@H]3C)C(=C)C)OO2)C(=C)C	1
CN(C)CCNC1=NC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)N4CCOCC4	1
C1CC2(CCC1CC(=O)N3CCN(CC3)CCO)OC4(C5CC6CC(C5)CC4C6)OO2	1
C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)CO)O)C)C=C	1
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=CC(=C(C=C5CCN4)O)O)OC)OC	1
CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)Cl	1
C[C@@]12CC[C@H]3CCC[C@H]([C@]3([C@H](O1)OC)OO2)CCOCC4=CC=[N+](C=C4)C.[I-]	1
C[C@@]12CC[C@H]3CCC[C@H]([C@]3([C@H](O1)OC)OO2)CCOCC4=CC=C(C=C4)F	1
C1CCC(CC1)NCC(CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O	1
COC1=C(C=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC5=CC=CC=C5OC4=O)OC	1
CC(C)(C)NCC1=C(C=C(C=C1N=C2C=CN(C3=C2C=CC(=C3)Cl)O)O)C4=CC=C(C=C4)Cl	1
COC1=CC(=C(C=C1)/C=C/C(C=C)C2=C(C=C(C=C2)Cl)Cl)OC	1
CC1=NN(C(=C1C2CC(=NN2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC5=CC=CC=C5F)C6=CC=CC=C6	1
C[C@@]12CCO[C@@H]1OOC(C2)(C)CC3CCCC3	1
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl	1
CC1=CSC2=NC(=C(C(N12)C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CC=C4)/C=C/C5=CC=CC=C5	1
C1CC2(CCC1NC3=CC=C(C=C3)C(=O)N)OC4(C5CC6CC(C5)CC4C6)OO2	1
CC1=C(C(=O)C=CN1CCCCNC2=C3C=CC(=CC3=NC=C2)Cl)O	1
COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)O	1
C1CC2(C=CC(=O)C=C2)O[C@@]13CC(C[C@]4(O3)CCC5(O4)C=CC(=O)C=C5)O	1
CC(C)NC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4	1
C1CC2(CCC1CNC3=CC=C(C=C3)C(=O)N)OC4(C5CC6CC(C5)CC4C6)OO2	1
CC1=CSC2=NC(=C(C(N12)C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CS4)/C=C/C5=CC=CS5	1
C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=C(C=C8)O	1
COC1=CC(=C(C=C1)C(CC(C2=CC=C(C=C2)OCC=C)O)C=C)OC	1
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N	1
C1COCCN1CCNC2=NC3=C(N2)C=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl	1
C1COCCN1CCNC2=NC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl	1
CC1(CC2=C(C(C(=C(N2NC3=CC=C(C=C3)F)N)C#N)C4=C(N=C5C=CC(=CC5=C4)Cl)Cl)C(=O)C1)C	1
C1CN(CCN1CCNC2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C(=O)NCCCN4CCOCC4	1
CCN(CC)CCNC1=NC(=NC(=N1)NCCNC2=C3C=CC(=CC3=NC=C2)Cl)N4CCCCC4	1
CC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)N)N	1
CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)CCCC3=CC4=C(O3)C=CC(=C4)C(=NC(C)C)N)N	1
C1=CN=CC=C1C2=CN(N=N2)CCCCCC(=O)NO	1
C1CCN(CC1)CC2=C(C=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)C(F)(F)F)O	1
C1CCC(CC1)NC(=O)CN(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=NC=CN=C4	1
C1CC(C1)NC(=O)C2=CC=C(S2)N3C=NC4=CC=CC=C43	1
CCCCOC(=O)OCOP(=O)(C(CCC(=O)NO)C1=CC(=C(C=C1)F)F)OCOC(=O)OCCCC	1
CCC(/C=C/C1=CC=CC=C1C(F)(F)F)C2=C(C=C(C=C2)Cl)Cl	1
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3OC2=O)O	1
C[C@@H]1CC2[C@H](CO[C@]3(CC[C@H](C(=C)CC4[C@H]([C@@H]1OC(=O)C)[C@H]2C3O4)OO)C)C	1
C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC=C4)NC5=CC=C(C=C5)F	1
CC1(CC(CC(N1[O])(C)C)C(=O)O)C	1
CC1=NN(C(=C1C2CC(=NN2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC5=CC=C(C=C5)F)C6=CC=CC=C6	1
C1CN=C(N1)NC2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)NC5=NCCN5	1
CC1=NN(C(=C1C2CC(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)OC5=CC(=CC=C5)F)C6=CC=CC=C6	1
C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=NC(=NC=C3)NCCCO	1
CCC[C@H](C1=C([C@](OC1=O)(C(Br)Br)OC)Br)OC(=O)C	1
CN(C)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2.CS(=O)(=O)O	1
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OCCC(=O)O)C	1
CC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OCCNC3=C4C=CC(=CC4=NC=C3)Cl	1
C1CCN(CC1)C2=NC=CC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl	1
CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCC1=CC=CC=C1)O	1
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)C	1
C1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN=[N+]=[N-]	1
C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CCCNC(=O)CCCOC4=CC=CC=C4	1
CC1=CC(=NC(=N1)NCCO)NCCCCNC2=C3C=CC(=CC3=NC=C2)Cl	1
C1=CC=C(C=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl	1
CC(C)CC(=O)NCCCN1CCN(CC1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl	1
CC(C)CN(C1=NC(=NC=C1Br)C#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C	1
CC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CN(C2)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5.Cl	1
CN(C)C1=CC=C(C=C1)C2=CN(N=N2)CCCCCC(=O)NO	1
CC(C)N1CCN=C1NC(=NC(C)(C)C)NC2=CC(=C(C=C2)Cl)Cl	1
CCCCCCCCCCCCC[C@@H]1C[C@@H](C[C@]2(O1)CCC3(O2)C=CC(=O)C=C3)O	1
C1=CC=C(C=C1)C(=O)NNC2=C3C=CC(=CC3=NC=C2)Cl	1
C1CN(CCN1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5	1
CCN1CCCC1CNC2=C3C4=CC=CC=C4NC3=NC5=C2C=C(C=C5)Cl	1
CC1=CC(=NC(=N1)NCCCO)NCCNC2=C3C=CC(=CC3=NC=C2)Cl	1
CC(C)(CNCC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N.CS(=O)(=O)O.CS(=O)(=O)O	1
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CNC(=O)C1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N	1
CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC	1
C/C/1=C\[C@@H]([C@@H](CCC(=C)C(=O)CC1)C(=O)C)OC(=O)/C=C/C(C)(C)O	1
CN(C(=O)CCC(C1=CC=C(C=C1)OC)P(=O)(O)O)O	1
C1=CC2=C(C=CN=C2C=C1Cl)NCCCNC3=NC(=NC=C3)NCCCCCO	1
C1CCC[C@]2(CCCN3[C@H]2O[C@H](CCCCCC[C@]4(CCCN5[C@H]4O[C@H](CC1)CC5)O)CC3)O	1
CN(CCOC1=CC=C(C=C1)C(=O)N2C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/C2)C.Cl	1
CC(C1=NC(=C(O1)N2CCOCC2)CC3=CC=CC=C3)N4CCN(CC4)C5=C6C=CC(=CC6=NC=C5)Cl	1
C1=CC2=C(C=CN=C2C=C1Cl)NCCCNC3=NC(=NC=C3)NCCCCCCO	1
C1=CC=C(C=C1)[C@@H]([C@H](C(=O)OCCNC2=C3C=CC(=CC3=NC=C2)Cl)O)NC(=O)C4=CC=CC=C4	1
C1=CC=C2C(=C1)C=CC=C2C(C/C(=N/N=C/C3=CC(=C(C=C3)Cl)Cl)/N)O	1
CC(C)(C)C1=NC2=C(C=C(C=C2C=C1)OC)N(C)CCCNC(=O)N[C@@H](CCCN=C(N)N)C(=O)O	1
CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2)OC)OC)OC	0
C[C@@H](C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2	0
CC(=O)C1C2=CC=CC=C2NC1=O	0
CC1C2=CN3CCC4=C(C3CC2CC5C6N1C7=CC=CC=C7C6CCN5)NC8=C4C=C(C=C8)O	0
CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C)C	0
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCNC4=C5CCCCC5=NC6=CC=CC=C64	0
CN(C)C1=CC=C(C=C1)CN(C)CC2=CC=C(C=C2)CN	0

CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC=CC(=C3)C#N)NC(=O)C4=CC=CC=C4Cl

1

C1=CC(=CC=C1C2=CC=NC=C2)C3=CN(N=N3)CCCCCC(=O)NO

1

CC(C)(C)C1=NC2=C(C=C(C=C2C=C1)OC)N(C)CCCNC(=O)N[C@H](CC3=CN=CN3)C(=O)O

1

CC1=CC(=NC(=N1)NC2CCCCC2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl

1

C[C@H]1[C@@H]2CC[C@]3(O[C@@H]4C2([C@@H](C[C@@H]1O)[C@H](C(=O)O4)C)OO3)C

1

C1CC2(CCC1CN)OC3(C4CC5CC(C4)CC3C5)OO2

1

C[C@@H](CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCC[C@]2(C)COC(=O)/C=C/C3=CC=C(C=C3)O)C)CC(=O)O

1

CCCCN=C1N(C(=O)C(=O)S1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl

1

COC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl

1

CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC(=CC=C4)Cl

1

C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=NC(=NC=C3)Cl

1

CC1(CC2=C(CN1)C(=CC(=C2C3=CC=C(C4=CC=CC=C43)O)OC)OC)C

1

C[C@@H]1CC[C@H](CC12OOC3(C[C@@H](CC[C@H]3C)C(=C)C)OO2)C(=C)C

1

CN(C)CCNC1=NC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)N4CCOCC4

1

C1CC2(CCC1CC(=O)N3CCN(CC3)CCO)OC4(C5CC6CC(C5)CC4C6)OO2

1

C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)CO)O)C)C=C

1

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=CC(=C(C=C5CCN4)O)O)OC)OC

1

CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)Cl

1

C[C@@]12CC[C@H]3CCC[C@H]([C@]3([C@H](O1)OC)OO2)CCOCC4=CC=[N+](C=C4)C.[I-]

1

C[C@@]12CC[C@H]3CCC[C@H]([C@]3([C@H](O1)OC)OO2)CCOCC4=CC=C(C=C4)F

1

C1CCC(CC1)NCC(CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O

1

COC1=C(C=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC5=CC=CC=C5OC4=O)OC

1

CC(C)(C)NCC1=C(C=C(C=C1N=C2C=CN(C3=C2C=CC(=C3)Cl)O)O)C4=CC=C(C=C4)Cl

1

COC1=CC(=C(C=C1)/C=C/C(C=C)C2=C(C=C(C=C2)Cl)Cl)OC

1

CC1=NN(C(=C1C2CC(=NN2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC5=CC=CC=C5F)C6=CC=CC=C6

1

C[C@@]12CCO[C@@H]1OOC(C2)(C)CC3CCCC3

1

C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl

1

CC1=CSC2=NC(=C(C(N12)C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CC=C4)/C=C/C5=CC=CC=C5

1

C1CC2(CCC1NC3=CC=C(C=C3)C(=O)N)OC4(C5CC6CC(C5)CC4C6)OO2

1

CC1=C(C(=O)C=CN1CCCCNC2=C3C=CC(=CC3=NC=C2)Cl)O

1

COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)O

1

C1CC2(C=CC(=O)C=C2)O[C@@]13CC(C[C@]4(O3)CCC5(O4)C=CC(=O)C=C5)O

1

CC(C)NC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

1

C1CC2(CCC1CNC3=CC=C(C=C3)C(=O)N)OC4(C5CC6CC(C5)CC4C6)OO2

1

CC1=CSC2=NC(=C(C(N12)C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CS4)/C=C/C5=CC=CS5

1

C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=C(C=C8)O

1

COC1=CC(=C(C=C1)C(CC(C2=CC=C(C=C2)OCC=C)O)C=C)OC

1

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N

1

C1COCCN1CCNC2=NC3=C(N2)C=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl

1

C1COCCN1CCNC2=NC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl

1

CC1(CC2=C(C(C(=C(N2NC3=CC=C(C=C3)F)N)C#N)C4=C(N=C5C=CC(=CC5=C4)Cl)Cl)C(=O)C1)C

1

C1CN(CCN1CCNC2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C(=O)NCCCN4CCOCC4

1

CCN(CC)CCNC1=NC(=NC(=N1)NCCNC2=C3C=CC(=CC3=NC=C2)Cl)N4CCCCC4

1

CC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)N)N

1

CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)CCCC3=CC4=C(O3)C=CC(=C4)C(=NC(C)C)N)N

1

C1=CN=CC=C1C2=CN(N=N2)CCCCCC(=O)NO

1

C1CCN(CC1)CC2=C(C=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)C(F)(F)F)O

1

C1CCC(CC1)NC(=O)CN(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=NC=CN=C4

1

C1CC(C1)NC(=O)C2=CC=C(S2)N3C=NC4=CC=CC=C43

1

CCCCOC(=O)OCOP(=O)(C(CCC(=O)NO)C1=CC(=C(C=C1)F)F)OCOC(=O)OCCCC

1

CCC(/C=C/C1=CC=CC=C1C(F)(F)F)C2=C(C=C(C=C2)Cl)Cl

1

COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3OC2=O)O

1

C[C@@H]1CC2[C@H](CO[C@]3(CC[C@H](C(=C)CC4[C@H]([C@@H]1OC(=O)C)[C@H]2C3O4)OO)C)C

1

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC=C4)NC5=CC=C(C=C5)F

1

CC1(CC(CC(N1[O])(C)C)C(=O)O)C

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C1CN=C(N1)NC2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)NC5=NCCN5

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CC1=NN(C(=C1C2CC(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)OC5=CC(=CC=C5)F)C6=CC=CC=C6

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C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=NC(=NC=C3)NCCCO

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CCC[C@H](C1=C([C@](OC1=O)(C(Br)Br)OC)Br)OC(=O)C

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CN(C)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2.CS(=O)(=O)O

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C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OCCC(=O)O)C

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CC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OCCNC3=C4C=CC(=CC4=NC=C3)Cl

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C1CCN(CC1)C2=NC=CC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl

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CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCC1=CC=CC=C1)O

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CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)C

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C1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN=[N+]=[N-]

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C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CCCNC(=O)CCCOC4=CC=CC=C4

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CC1=CC(=NC(=N1)NCCO)NCCCCNC2=C3C=CC(=CC3=NC=C2)Cl

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C1=CC=C(C=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl

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CC(C)CC(=O)NCCCN1CCN(CC1)CCCNC2=C3C=CC(=CC3=NC=C2)Cl

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CC(C)CN(C1=NC(=NC=C1Br)C#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C

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CC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CN(C2)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5.Cl

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CN(C)C1=CC=C(C=C1)C2=CN(N=N2)CCCCCC(=O)NO

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CC(C)N1CCN=C1NC(=NC(C)(C)C)NC2=CC(=C(C=C2)Cl)Cl

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CCCCCCCCCCCCC[C@@H]1C[C@@H](C[C@]2(O1)CCC3(O2)C=CC(=O)C=C3)O

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C1=CC=C(C=C1)C(=O)NNC2=C3C=CC(=CC3=NC=C2)Cl

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C1CN(CCN1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5

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CCN1CCCC1CNC2=C3C4=CC=CC=C4NC3=NC5=C2C=C(C=C5)Cl

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CC1=CC(=NC(=N1)NCCCO)NCCNC2=C3C=CC(=CC3=NC=C2)Cl

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CC(C)(CNCC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N.CS(=O)(=O)O.CS(=O)(=O)O

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CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CNC(=O)C1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N

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CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC

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C/C/1=C\[C@@H]([C@@H](CCC(=C)C(=O)CC1)C(=O)C)OC(=O)/C=C/C(C)(C)O

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CN(C(=O)CCC(C1=CC=C(C=C1)OC)P(=O)(O)O)O

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C1=CC2=C(C=CN=C2C=C1Cl)NCCCNC3=NC(=NC=C3)NCCCCCO

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C1CCC[C@]2(CCCN3[C@H]2O[C@H](CCCCCC[C@]4(CCCN5[C@H]4O[C@H](CC1)CC5)O)CC3)O

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CN(CCOC1=CC=C(C=C1)C(=O)N2C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/C2)C.Cl

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CC(C1=NC(=C(O1)N2CCOCC2)CC3=CC=CC=C3)N4CCN(CC4)C5=C6C=CC(=CC6=NC=C5)Cl

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C1=CC2=C(C=CN=C2C=C1Cl)NCCCNC3=NC(=NC=C3)NCCCCCCO

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C1=CC=C(C=C1)[C@@H]([C@H](C(=O)OCCNC2=C3C=CC(=CC3=NC=C2)Cl)O)NC(=O)C4=CC=CC=C4

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C1=CC=C2C(=C1)C=CC=C2C(C/C(=N/N=C/C3=CC(=C(C=C3)Cl)Cl)/N)O

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CC(C)(C)C1=NC2=C(C=C(C=C2C=C1)OC)N(C)CCCNC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

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CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2)OC)OC)OC

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C[C@@H](C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2

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CC(=O)C1C2=CC=CC=C2NC1=O

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CC1C2=CN3CCC4=C(C3CC2CC5C6N1C7=CC=CC=C7C6CCN5)NC8=C4C=C(C=C8)O

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CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C)C

0

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

0

CN(C)C1=CC=C(C=C1)CN(C)CC2=CC=C(C=C2)CN

0