Datasets:
aanyam
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lab4_data

Dataset card Data Studio Files
xet
Community
1
CID
int64
199
136M
smiles
stringlengths
8
226
3,236,096
CCCCN(C)CCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O
3,236,099
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
3,236,124
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
3,236,136
CN1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1
3,236,155
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1
3,236,162
CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccc(C)cc3)ccc1O2
3,236,167
CCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O
3,236,168
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCC1
3,236,177
O=C(Nc1ccon1)c1cnc2sccn2c1=O
3,236,184
O=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12
3,236,194
CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
3,236,237
CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1
3,236,238
Cc1ccc(C2C=C(c3ccccc3OC(F)F)Nc3ncnn32)cc1
3,236,248
CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O
3,236,254
c1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
3,236,260
COCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
3,236,267
Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1
3,236,274
Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c1
3,236,299
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCN1CCCC1
3,236,313
CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1
3,236,316
COC1(OC)N=C(N)C2(C#N)C(c3cccc(Oc4ccccc4)c3)C12C#N
3,236,334
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1cccnc1
3,236,338
Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1
3,236,343
O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
3,236,375
CCOc1ccc(C2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)cc1OC
3,236,395
COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1
3,236,401
O=C(CCC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1
3,236,423
Brc1ccc(-c2cn3cccnc3n2)cc1
3,236,425
Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc54)n(C)c3nc12
3,236,427
Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1
3,236,433
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1
3,236,442
COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)no1
3,236,461
O=C1c2ccccc2NC(c2cccc(F)c2)N1Cc1ccco1
3,236,477
Cc1cc2c(=O)n(CC(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cnc2s1
3,236,478
Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1
3,236,487
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1
3,236,498
O=C(NCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1
3,236,499
CCc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1
3,236,505
CCOC(=O)c1s/c(=N/C(=O)c2cccc(OC)c2)n(C)c1C
3,236,511
Cc1c2c(nc3c(C(=O)NC4CCCCC4C)cnn13)CCCC2
3,236,513
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1
3,236,527
CC(C)CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O
3,236,533
CCCN(CCC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C
3,236,538
c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCO4)C2
3,236,561
COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1
3,236,572
CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccccc2)N3)C1
3,236,584
CC(C)Cn1cc(C(=O)NCC2CCCO2)c2c3ccccc3n(C)c2c1=O
3,236,602
CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
3,236,604
CC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C
3,236,606
COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3c4ccccc4n(C)c3c2=O)cc1
3,236,624
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1
3,236,626
CCOc1cc2c(cc1OCC)C(c1cc(OC)c(O)c(OC)c1)NCC2
3,236,633
COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1
3,236,640
CCOC(=O)N1CCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1
3,236,674
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1
3,236,676
COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O
3,236,694
CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc(C)c1C
3,236,713
CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
3,236,715
CN1CCN(CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1
3,236,736
CCC1(C)Nc2ccccc2C(=O)N1O
3,236,752
COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
3,236,759
c1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1
3,236,767
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CC1
3,236,794
CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1
3,236,806
Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccnc1
3,236,813
CCOCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12
3,236,831
CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1
3,236,844
COc1ccc2cc3cc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)oc3nc2c1
3,236,853
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c(OC)c1
3,236,859
COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1OC
3,236,862
CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
3,236,875
CCOC(=O)N1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1
3,236,880
O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1ccco1
3,236,896
COc1ccc(OC)c(/N=C/c2c(O)[nH]c3ccccc23)c1
3,236,911
CCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1
3,236,914
CC1CCCC(NC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=O)[nH]c3c2)C1C
3,236,920
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2
3,236,922
CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O
3,236,936
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
3,236,953
CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
3,236,969
Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCc3ccco3)nc12
3,236,995
COc1ccc(C2C=C(C)Nc3nc(SC)nn32)cc1
3,237,005
COc1ccc(C2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)cc1OC
3,237,042
CC(C)Cn1cc(C(=O)NCCCN2CCCC2=O)c2c3ccccc3n(C)c2c1=O
3,237,046
CCOC(=O)c1s/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)c1C
3,237,049
COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1
3,237,051
Cc1c(C(=O)N2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
3,237,055
CC(NC(=O)CC1Nc2ccccc2NC1=O)c1ccccc1
3,237,067
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21
3,237,091
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
3,237,106
CCN1CCCC1CNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
3,237,122
CCOC(=O)c1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1
3,237,125
CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CC)CC3)c3ccccc3n2)cc1
3,237,126
O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1
3,237,132
CC(C)Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O
3,237,154
CCOC(=O)N1CCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1
3,237,173
Cc1ccsc1C1C=C(c2cccc(Br)c2)Nc2ncnn21
3,237,176
Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
3,237,187
COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1
3,237,201
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC