ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
1936390
Cc1nccn1-c1ncccc1NC(=O)CCC(=O)c1cccs1
[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1]
c15ncccc13.C2(=O)CCC4=O.Cc1nccn15.c14cccs1.N23
1936391
Cc1nccn1-c1ncccc1NC(=O)C1CC1(Cl)Cl
[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl]
c15ncccc13.Cc1nccn15.C14CC1(Cl)Cl.C24=O.N23
1936395
Cc1nc(SCC(=O)N(C)Cc2ccccn2)c(C#N)c(C)c1C
[C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][C]
Cc1nc7c(C#N)c(C)c1C.c16ccccn1.C5C3=O.N34C.S57.C46
1936396
CN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1
[C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][S][C][=N][Ring1][Branch1]
c16ccccc14.c17ccccn1.c18cscn1.CN25.C26=O.C57.O34.C38
1936397
CCc1nc(CC(=O)Nc2ccc(Br)cn2)cs1
[C][C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][S][Ring1][S]
c14ccc(Br)cn1.c15nc6cs1.C6C3=O.CC5.N34
1936399
Cc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)s1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][Ring2][Ring1][Ring2]
c15ccc2c(c1)OCC(=O)N2.Cc1ccc6s1.C6C4=O.N45
1936400
CC(=O)NC(C)C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C]
c17ccc8cc1.c19cnoc1C.C6(C)C4=O.CC3=O.C59=O.N36.N47.N58
1936401
Cc1oncc1C(=O)Nc1ccc(NC(=O)CCOC(C)C)cc1
[C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][#C]
c16ccc7cc1.Cc1oncc18.C3(=O)CC4.C28=O.C5(C)C.N26.N37.O45
1936403
CN(CCC#N)C(=O)C1CCCN1C(=O)Cc1cccs1
[C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1]
C15CCCN13.c16cccs1.C4CC#N.C3(=O)C6.CN24.C25=O
1936404
Cc1cc(C(=O)Nc2ccc(-c3csnn3)cc2)c(C)n1C1CC1
[C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Branch1][C][C][N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1]
Cc1cc6c(C)n17.c15ccc8cc1.c18csnn1.C46=O.C17CC1.N45
1936405
Cc1sc(=O)n(CC(=O)Nc2c(C(N)=O)oc3ccccc23)c1C
[C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][C]
c15c6oc2ccccc12.Cc1sc(=O)n7c1C.C7C4=O.C6(N)=O.N45
1936406
CCc1nc(CC(=O)Oc2cccc(N3CCCC3=O)c2)cs1
[C][C][C][=N][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=C][S][Ring2][Ring1][Branch1]
c15cccc8c1.c16nc7cs1.N18CCCC1=O.C7C4=O.CC6.O45
1936407
CCOC(CC)C(=O)N1CCN(C(=O)c2ccncc2)CC1
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
N13CCN4CC1.C6(CC)C3=O.c17ccncc1.C47=O.CC5.O56
1936409
Cc1sc(=O)n(CC(=O)Nc2ccccc2S(C)(=O)=O)c1C
[C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring2][Ring1][Ring2][C]
c14ccccc1S(C)(=O)=O.Cc1sc(=O)n5c1C.C5C3=O.N34
1936410
CCCC(C)(NC(=O)c1[nH]nc2c1CCCC2)C(=O)OC
[C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
c16[nH]nc2c1CCCC2.CCCC5(C)C3=O.C46=O.N45.O3C
1936411
CN(C(=O)CCNC(=O)OCC(F)(F)F)c1nc2ccccc2o1
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
c18nc2ccccc2o1.C4(=O)CC7.C6C(F)(F)F.CN48.C35=O.N57.O36
1936412
CC(C)(C)c1csc(NC(=O)CCCN2CCOC2=O)n1
[C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][=N][Ring1][P]
c16csc4n1.C3(=O)CCC5.N15CCOC1=O.CC6(C)C.N34
1936413
CC(C)N(C)C(=O)C1CCCN1C(=O)Cc1cccs1
[C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1]
C15CCCN13.c16cccs1.C3(=O)C6.CC4C.N24C.C25=O
1936414
COCCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1F
[C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][F]
c19c(C)nn2cccnc12.c17ccc8cc1F.C5C6.C49=O.CO5.O67.N48
1936415
COc1ccc2c(c1)CCCC2CC(=O)NCc1cnc(C)s1
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1]
c14ccc2c(c1)CCCC2CC3=O.c16cnc(C)s1.CO4.N35.C56
1936416
C=CCN(C(=O)Cn1c(C)c(C)sc1=O)c1ccccc1
[C][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
n15c(C)c(C)sc1=O.c14ccccc1.C2(=O)C5.C=CC3.N234
1936417
CCCN(CCC)C(=O)C1CCCN1C(=O)Cc1cccs1
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1]
C16CCCN13.c17cccs1.C3(=O)C7.CCC4.N245.C5CC.C26=O
1936419
Cc1ccoc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c14ccccc1S3(=O)=O.Cc1ccoc15.N13CCCC1.C25=O.N24
1936420
CCOCC(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c16ccccc1S5(=O)=O.N15CCCC1.C4C2=O.CC3.O34.N26
1936421
CC(C)OCCC(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][C][Branch1][C][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c16ccccc1S5(=O)=O.C4CC2=O.N15CCCC1.CC3C.O34.N26
1936422
CCOC(C)C(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c16ccccc1S5(=O)=O.C4(C)C2=O.N15CCCC1.CC3.O34.N26
1936423
COCCCC(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c15ccccc1S4(=O)=O.C3CCC2=O.N14CCCC1.CO3.N25
1936424
COC(C)C(=O)Nc1ccccc1S(=O)(=O)N1CCCC1
[C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
c15ccccc1S4(=O)=O.C3(C)C2=O.N14CCCC1.CO3.N25
1936425
CCC(C)C(C)NC(=O)Cn1c(-c2cscn2)nc2ccccc21
[C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
n15c6nc2ccccc21.CCC(C)C4C.c16cscn1.C3(=O)C5.N34
1936426
CCN(Cc1ccccc1)C(=O)CNC(=O)c1c(C)nsc1NC
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C]
c18c(C)nsc17.c19ccccc1.C2(=O)C6.N245.C38=O.CC4.C59.N36.N7C
1936427
CCN(Cc1ccccc1)C(=O)CNC(=O)c1n[nH]c2c1CCC2
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1]
c18n[nH]c2c1CCC2.c19ccccc1.C3(=O)C7.N356.C48=O.CC5.C69.N47
1936429
CCCCNC(=O)C1CCC(C)N(C(=O)c2cc(CC)n[nH]2)C1
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=N][NH1][Ring1][#Branch1][C][Ring1][S]
C17CCC(C)N4C1.c16cc8n[nH]1.CCCC5.C37=O.C46=O.N35.C8C
1936430
CCCCNC(=O)C1CCC(C)N(C(=O)c2cc(C)nn2C)C1
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][Ring1][S]
C17CCC(C)N4C1.c16cc(C)nn1C.CCCC5.C37=O.C46=O.N35
1936432
CCN(C)C(=O)C1CCCN1C(=O)Cc1cccs1
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1]
C15CCCN13.c16cccs1.C3(=O)C6.N24C.C25=O.CC4
1936433
COc1cccc2c1N(C(=O)c1ccnc(-n3cncn3)c1)CCC2
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][C][C][Ring2][Ring1][Ring1]
c15cccc2c1N4CCC2.c16ccnc7c1.n17cncn1.C46=O.CO5
1936434
Cc1sc(=O)n(CC(=O)Nc2cc(Cl)ccc2C(N)=O)c1C
[C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring2][C]
Cc1sc(=O)n6c1C.c14cc(Cl)ccc15.C6C3=O.C5(N)=O.N34
1936437
CN(CC(F)(F)F)C(=O)C1CCCN1C(=O)Cc1cccs1
[C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1]
C15CCCN13.C4C(F)(F)F.c16cccs1.C3(=O)C6.CN24.C25=O
1936439
CCc1nc(CC(=O)N(Cc2ccco2)c2ccccn2)cs1
[C][C][C][=N][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring2][Ring1][Branch1]
c16nc7cs1.c15ccccn1.c18ccco1.C7C3=O.N345.CC6.C48
1936440
CC(C)N(CC(F)(F)F)C(=O)c1ccc(OCC2CC2)cc1
[C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O]
c18ccc5cc1.C7C(F)(F)F.CC6C.N367.C38=O.C19CC1.O45.C49
1936441
CCOC(CC)C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][=C][S][Ring1][=C]
c18cc(F)ccc16.C5(CC)C3=O.c17nc8cs1.CC4.O45.N37.O6C
1936443
Cc1cccc(NC(=O)Cn2c(C)c(C)sc2=O)c1C(N)=O
[C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C][C][Branch1][C][N][=O]
Cc1cccc4c15.n16c(C)c(C)sc1=O.C3(=O)C6.C5(N)=O.N34
1936444
C#CCNC(=O)c1ccccc1NC(=O)Cn1c(C)c(C)sc1=O
[C][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O]
n17c(C)c(C)sc1=O.c16ccccc15.C3(=O)C7.C#CC4.C26=O.N24.N35
1936445
Cc1sc(=O)n(CC(=O)N(c2ccccc2)C(C)C)c1C
[C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring1][C]
Cc1sc(=O)n6c1C.c15ccccc1.C6C3=O.N345.C4(C)C
1936446
CCC(=O)N1CCCN(C(=O)c2ccnc(-n3cncn3)c2)CC1
[C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring2]
N14CCCN5CC1.c16ccnc7c1.n17cncn1.CCC4=O.C56=O
1936447
O=C(Cn1cnnn1)Nc1cc(F)ccc1NC(=O)c1ccccn1
[O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1]
c14cc(F)ccc15.c16ccccn1.n17cnnn1.O=C2C7.C36=O.N24.N35
1936448
Cn1cc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cn1
[C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2]
c15cc(F)ccc16.Cn1cc8cn1.c17ccccn1.C38=O.C47=O.N35.N46
1936449
Cc1csc(N(CC(F)(F)F)C(=O)Cc2c(C)nn(C)c2C)n1
[C][C][=C][S][C][Branch2][Ring1][S][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch1]
c16c(C)nn(C)c1C.Cc1csc5n1.C4C(F)(F)F.C3(=O)C6.N345
1936450
CCOC(CC)C(=O)Nc1nc(-c2ccccc2F)cs1
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][S][Ring1][N]
c17ccccc1F.C5(CC)C3=O.c16nc7cs1.CC4.O45.N36
1936451
CCOC(CC)C(=O)Nc1ccc(OC(F)F)c2ncccc12
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
c17ccc6c2ncccc12.C5(CC)C3=O.O6C(F)F.CC4.O45.N37
1936452
CC(C)(C)n1nccc1NC(=O)COCc1ccccc1Cl
[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
c17ccccc1Cl.n16nccc15.CC6(C)C.C2(=O)C3.N25.O34.C47
1936453
CC(C)(C)n1nccc1NC(=O)CCCNC(=O)c1ccc(F)cc1
[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
c16ccc(F)cc1.n17nccc15.C2(=O)CCC4.CC7(C)C.C36=O.N25.N34
1936454
CCOc1ccccc1CNC(=O)C1CCCN1C(=O)C1CC1
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
c15ccccc19.C17CCCN13.C27=O.C38=O.C18CC1.CC4.O45.C69.N26
1936455
Cc1noc(CCC(=O)N(C)c2cccc3ccccc23)n1
[C][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
c15cccc2ccccc12.Cc1noc6n1.C6CC4=O.N45C
1936456
CC(=O)NC(C)C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N]
c17ccc(F)c(Cl)c1.c16nc7cs1.C5(C)C4=O.CC3=O.N35.N46
1936457
COCCOCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
[C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N]
c18ccc(F)c(Cl)c1.c17nc8cs1.C6C3=O.C4C5.CO4.O56.N37
1936459
CCOCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
[C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N]
c17ccc(F)c(Cl)c1.c16nc7cs1.C5C3=O.CC4.O45.N36
1936460
COc1c(Cl)cccc1NC(=O)c1c(C)nn2cccnc12
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1]
c16c(C)nn2cccnc12.c14c5cccc1Cl.C36=O.CO4.N35
1936461
Cc1cc(C(=O)N2CCCc3cccc(OC(F)F)c32)on1
[C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][Ring1][=C][O][N][=Ring2][Ring1][Branch1]
N14CCCc2cccc5c21.Cc1cc6on1.O5C(F)F.C46=O
1936462
COc1ccc(NC(=O)C2CC3C=CC2C3)c2cccnc12
[C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
c15ccc6c2cccnc12.C17CC2C=CC1C2.C47=O.CO5.N46
1936463
COc1ccc(NC(=O)C(C)NC(C)=O)c2cccnc12
[C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
c15ccc7c2cccnc12.C3(=O)C6C.C4(C)=O.CO5.N37.N46
1936464
COCCOCC(=O)Nc1ccc(OC)c2ncccc12
[C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1]
c18ccc7c2ncccc12.C6C3=O.C4C5.CO4.O56.N38.O7C
1936465
COc1ccc(NC(=O)c2cccc3ncccc23)c2cccnc12
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1]
c15ccc6c2cccnc12.c17cccc2ncccc12.C47=O.CO5.N46
1936466
COc1ccc(NC(=O)CCc2nc(C)no2)c2cccnc12
[C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]
c14ccc5c2cccnc12.c16nc(C)no1.C3(=O)CC6.CO4.N35
1936467
COc1ccc(NC(=O)CNC(C)=O)c2cccnc12
[C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][=C][C][=C][N][=C][Ring2][Ring1][C][Ring1][=Branch1]
c15ccc7c2cccnc12.C3(=O)C6.C4(C)=O.CO5.N37.N46
1936468
CCOC(CC)C(=O)Nc1ccc(OC)c2ncccc12
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1]
c17ccc6c2ncccc12.C5(CC)C3=O.CC4.O45.N37.O6C
1936469
O=C(c1ccc(F)cc1)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15ccc(F)cc1.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936470
CC(=O)Nc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c17ccc8cc1.c1%10ccco1.C19CCCO1.CC3=O.C48=O.N456.N37.C5%10.C69
1936472
Cc1ccccc1C(=O)N(Cc1ccco1)CC1CCCO1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
Cc1ccccc15.c17ccco1.C16CCCO1.C25=O.N234.C37.C46
1936473
COc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1OC
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1][O][C]
c14cccc8c15.c1%10ccco1.C19CCCO1.C38=O.N367.CO4.C6%10.C79.O5C
1936474
CN(C)c1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1]
c16cccc7c1.c19ccco1.C18CCCO1.CN6C.C37=O.N345.C49.C58
1936475
CN(C)c1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c16ccc7cc1.c19ccco1.C18CCCO1.CN6C.C37=O.N345.C49.C58
1936476
Cc1ccc(C)c(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1]
Cc1ccc(C)c6c1.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936477
Cc1cc(C)cc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1]
Cc1cc6cc(C)c1.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936478
CCOc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c15ccc8cc1.c1%10ccco1.C19CCCO1.C38=O.N367.CC4.O45.C6%10.C79
1936479
CCOc1ccccc1C(=O)N(Cc1ccco1)CC1CCCO1
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c14ccccc17.c19ccco1.C18CCCO1.C27=O.N256.CC3.O34.C59.C68
1936480
O=C(c1ccc(F)cc1F)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15ccc(F)cc1F.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936481
Cc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1C
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1][C]
Cc1cccc6c1C.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936482
COc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1OC
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][O][C]
c14ccc8cc15.c1%10ccco1.C19CCCO1.C38=O.N367.CO4.C6%10.C79.O5C
1936483
Cc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)c(C)c1
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc6c(C)c1.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936484
Cc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1]
Cc1cccc6c1.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936485
Cc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1C
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][C]
Cc1ccc6cc1C.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936486
O=C(c1ccc(F)cc1Cl)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15ccc(F)cc1Cl.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936487
Cc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1O
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1][O]
Cc1cccc6c1O.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936488
CC(=O)Nc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1]
c17cccc8c1.c1%10ccco1.C19CCCO1.CC3=O.C48=O.N456.N37.C5%10.C69
1936489
Cc1ccnc2nc(C(=O)N(Cc3ccco3)CC3CCCO3)nn12
[C][C][=C][C][=N][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
Cc1ccnc2nc7nn12.c19ccco1.C18CCCO1.C47=O.N456.C59.C68
1936490
COc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1O
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1][O]
c14cccc7c1O.c19ccco1.C18CCCO1.C37=O.N356.CO4.C59.C68
1936492
O=C(c1cc2c(s1)CCC2)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][#C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c16cc2c(s1)CCC2.c18ccco1.C17CCCO1.O=C36.N345.C48.C57
1936493
COC(=O)c1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c17ccc8cc1.c1%10ccco1.C19CCCO1.C37=O.C48=O.N456.CO3.C5%10.C69
1936496
COc1ccc(O)c(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1]
c14ccc(O)c7c1.c19ccco1.C18CCCO1.C37=O.N356.CO4.C59.C68
1936497
COCc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c1%10ccc7cc1.c19ccco1.C18CCCO1.C37=O.N356.CO4.C4%10.C59.C68
1936498
COc1ccc(OC)c(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch1]
c14ccc5c8c1.c1%10ccco1.C19CCCO1.C38=O.N367.CO4.O5C.C6%10.C79
1936499
CSc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)cc1
[C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
c19ccc6cc1.c18ccco1.C17CCCO1.C36=O.N345.CS9.C48.C57
1936500
O=C(c1ccc(F)c(F)c1)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15ccc(F)c(F)c1.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936501
O=C(c1cc(F)ccc1F)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15cc(F)ccc1F.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936502
COc1ccc(C(=O)N(Cc2ccco2)CC2CCCO2)c(F)c1
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1]
c14ccc7c(F)c1.c19ccco1.C18CCCO1.C37=O.N356.CO4.C59.C68
1936503
COCc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
[C][O][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1]
c1%10cccc7c1.c19ccco1.C18CCCO1.C37=O.N356.CO4.C4%10.C59.C68
1936504
Cc1cc(C(=O)N(Cc2ccco2)CC2CCCO2)on1
[C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][O][N][=Ring2][Ring1][Ring2]
Cc1cc6on1.c18ccco1.C17CCCO1.C36=O.N345.C48.C57
1936506
COc1cc(C(=O)N(Cc2ccco2)CC2CCCO2)ccc1C
[C][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch1][C]
c14cc7ccc1C.c19ccco1.C18CCCO1.C37=O.N356.CO4.C59.C68
1936507
O=C(c1cc(Cl)ccc1F)N(Cc1ccco1)CC1CCCO1
[O][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
c15cc(Cl)ccc1F.c17ccco1.C16CCCO1.O=C25.N234.C37.C46
1936508
Cc1ccc(F)cc1C(=O)N(Cc1ccco1)CC1CCCO1
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1]
Cc1ccc(F)cc15.c17ccco1.C16CCCO1.C25=O.N234.C37.C46