smiles
stringlengths 5
152
| ZINC_id
stringlengths 2
10
| selfies
stringlengths 13
403
|
|---|---|---|
O=C1CN(C(=O)CN2C[C@@H](F)C[C@H]2CO)CCN1
|
366686883
|
[O][=C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][O][C][C][N][Ring1][P]
|
OC[C@@H]1O[C@@H](Oc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
|
2567895
|
[O][C][C@@H1][O][C@@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#C][O]
|
C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H](C)N1
|
154182474
|
[C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][C]
|
N=c1[nH]nc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)s1
|
1857735838
|
[N][=C][NH1][N][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C][Ring1][#Branch1][S][Ring1][S]
|
Cn1nnc([C@H]2CN(CCN3CCOCC3)CCO2)n1
|
2356162949
|
[C][N][N][=N][C][Branch2][Ring1][Branch1][C@H1][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][=C][=N][Ring2][Ring1][Ring1]
|
CC(C)[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)C(=O)O
|
245232510
|
[C][C][Branch1][C][C][C@H1][Branch1][S][N][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][O]
|
CCCN1CC[C@H](NC(=O)Cn2[nH]nnc2=N)C1
|
584901781
|
[C][C][C][N][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][NH1][N][=N][C][Ring1][Branch1][=N][C][Ring1][#C]
|
O=C1CC(C(=O)N[C@H](CO)CN2CCOCC2)=NN1
|
820010548
|
[O][=C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring2][Ring1][C]
|
O=C(CCC[N@]1C[C@H]1C(=O)NCCO)NCCO
|
1857524802
|
[O][=C][Branch1][P][C][C][C][N@][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][N][C][C][O]
|
O=C(c1nc[nH]n1)N1CCN(CCCO)C[C@@H](O)C1
|
97099596
|
[O][=C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][N][Branch1][Branch1][C][C][C][O][C][C@@H1][Branch1][C][O][C][Ring1][N]
|
Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O
|
13507671
|
[C][N][C][Branch1][C][N][=N][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][Ring2][Ring1][Ring1][=O]
|
O=S1(=O)C[C@H]2O[C@H]3CS(=O)(=O)C[C@H]3O[C@H]2C1
|
18142176
|
[O][=S][=Branch1][C][=O][C][C@H1][O][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][O][C@H1][Ring1][O][C][Ring1][#C]
|
O=C(CN1CCCC1=O)N[C@@H]1CCOC[C@H]1OCCO
|
219590853
|
[O][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][C][C][O]
|
C[C@H]1C(=O)NCCCN1C(=O)CN(C)S(C)(=O)=O
|
375502479
|
[C][C@H1][C][=Branch1][C][=O][N][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CNC(=O)c1noc(CN2C[C@H]3CNC[C@]3(CO)C2)n1
|
1772808563
|
[C][N][C][=Branch1][C][=O][C][=N][O][C][Branch2][Ring1][C][C][N][C][C@H1][C][N][C][C@][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][#Branch2][=N][Ring1][S]
|
CNC(=O)CC(=O)N=c1cnn(-c2cnn(C)c2)[nH]1
|
1875344432
|
[C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][=C][C][=N][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][NH1][Ring1][O]
|
COCCN1CCN(C(=O)c2cnnn2C)CC1=O
|
328773904
|
[C][O][C][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=N][N][Ring1][Branch1][C][C][C][Ring1][=C][=O]
|
CS(=O)(=O)NCCC(=O)N1CCN2C(=O)OC[C@H]2C1
|
493561791
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2]
|
Cn1nnc([C@@H]2CN(CCN3CCOCC3)CCO2)n1
|
2356162950
|
[C][N][N][=N][C][Branch2][Ring1][Branch1][C@@H1][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][=C][=N][Ring2][Ring1][Ring1]
|
NC(=O)CO[C@H]1CCOC[C@H]1NS(=O)(=O)C1CC1
|
222449671
|
[N][C][=Branch1][C][=O][C][O][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
CC(=O)N[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)[C@H]2CCO[C@H]21
|
223463704
|
[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1][C@H1][C][C][O][C@H1][Ring1][Branch1][Ring1][#C]
|
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
|
19322537
|
[O][=S][=Branch1][C][=O][C][C][N][Branch1][S][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Ring1][Branch2][C][N][Ring1][S]
|
N#CNC1=NCN(CCCN2CCOCC2)CN1
|
19324917
|
[N][#C][N][C][=N][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][N][Ring1][#C]
|
O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1c[nH]c(=O)cn1
|
72158966
|
[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C@H1][C][N][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=N][Ring1][#Branch1]
|
O=S(=O)(N[C@@H]1CCOC[C@H]1O)N1CCOCC1
|
219325914
|
[O][=S][=Branch1][C][=O][Branch1][O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][N][C][C][O][C][C][Ring1][=Branch1]
|
CO[C@@H]1COCC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O
|
222766584
|
[C][O][C@@H1][C][O][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O]
|
C[C@@H](Cc1cnccn1)NC(=O)CN1CCNC(=O)C1
|
19851882
|
[C][C@@H1][Branch1][#Branch2][C][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
NC(=O)C1(C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)CC1
|
91690977
|
[N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][C][C][N][C][C@H1][Ring1][#Branch1][C][Ring1][O][C][C][Ring1][S]
|
CN(C)c1nc(N)nc(C(=O)N[C@@]2(CCO)CCOC2)n1
|
614079517
|
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@][Branch1][Ring2][C][C][O][C][C][O][C][Ring1][Branch2][=N][Ring2][Ring1][C]
|
Cn1nnnc1SCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1
|
1857737905
|
[C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C][Ring1][#Branch1]
|
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)O
|
2556497
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]
|
O[C@H]1[C@H](O)CO[C@@H](N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
|
25722093
|
[O][C@H1][C@H1][Branch1][C][O][C][O][C@@H1][Branch1][P][N][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Ring1][P][O]
|
O=C(NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO
|
4759524
|
[O][=C][Branch1][=N][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O]
|
C[C@]1(O)CC2(CCN(C(=O)CN)CC2)OC[C@@H]1O
|
1704300651
|
[C][C@][Branch1][C][O][C][C][Branch1][S][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][C][Ring1][#Branch2][O][C][C@@H1][Ring1][S][O]
|
CS(=O)(=O)NCCC(=O)N1C[C@@H]2CNC[C@@]2(CO)C1
|
1772701080
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][C][C@@][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][#Branch2]
|
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2c(CO)n[nH]c2C1
|
2325864916
|
[N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][=N][NH1][C][=Ring1][#Branch1][C][Ring1][O]
|
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
|
518554
|
[O][C][C@H1][O][C@@H1][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][S][O]
|
COCCn1cc(C(=O)N2CCNC(=O)[C@H]2C)nn1
|
622347370
|
[C][O][C][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][N][=N][Ring1][#C]
|
CS(=O)(=O)CCC(=O)N1CCN2CCOC[C@H]2C1
|
1857684201
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2]
|
CN(C)C[C@]12CNC[C@H]1CN(C(=O)Cn1cnnc1)C2
|
1772712414
|
[C][N][Branch1][C][C][C][C@][C][N][C][C@H1][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][S]
|
Cn1c2c(c(=O)n(C)c1=O)C[C@H](CC(=O)O)C(=O)N2
|
1848443103
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][P]
|
O=C(CCCn1cnnn1)N1CCC[C@@](O)(CO)C1
|
72162633
|
[O][=C][Branch1][O][C][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C][C@@][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][=Branch2]
|
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
|
3788703
|
[O][C][C][Branch1][Ring1][C][O][N][C@H1][C][C@][Branch1][C][O][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O]
|
O=C1CN(C(=O)CNC(=O)c2ccccc2)CC(=O)N1
|
5601439
|
[O][=C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1]
|
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O
|
21999938
|
[C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][NH1][C][Ring1][S][=O]
|
Cn1ncc(S(=O)(=O)N2CCNS(=O)(=O)CC2)n1
|
1875318218
|
[C][N][N][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][=Branch2][=N][Ring1][P]
|
CCN1CCO[C@@H](CN2CCN(C(=O)C(=O)O)CC2)C1
|
368129069
|
[C][C][N][C][C][O][C@@H1][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][Ring1][O][C][Ring2][Ring1][C]
|
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1CO
|
2558627
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][C][O]
|
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]1
|
4533532
|
[N][C][=N][C][=C][Branch2][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1]
|
O=C(CN1CCOC1=O)N1C[C@H]2[C@@H](C1)C2(CO)CO
|
1772815618
|
[O][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][N][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][Ring1][C][O][C][O]
|
CN1CC(=O)N2CCN(c3n[nH]c(=N)s3)C[C@H]2C1=O
|
1857683282
|
[C][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][NH1][C][=Branch1][C][=N][S][Ring1][=Branch1][C][C@H1][Ring1][N][C][Ring1][P][=O]
|
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1
|
6119279
|
[N][C][=N][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C][C@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][C]
|
OC[C@@]12CNC[C@@H]1CN(CCN1CCOCC1)C2
|
1772701003
|
[O][C][C@@][C][N][C][C@@H1][Ring1][Branch1][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S]
|
Cn1nnc(=NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)[nH]1
|
2325868679
|
[C][N][N][=N][C][=Branch2][Ring1][=Branch1][=N][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][O][NH1][Ring2][Ring1][C]
|
Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1
|
1532183
|
[N][C][=N][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][C]
|
CN(C)C[C@@]1(O)CCN(C(=O)CCCn2cnnn2)C1
|
72157627
|
[C][N][Branch1][C][C][C][C@@][Branch1][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][S]
|
CN(C)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C
|
402545714
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=N][N][Ring1][Branch1][C]
|
CNC(=O)NC(=O)[C@@H](C)N1CCC[C@](O)(CC(N)=O)C1
|
591644881
|
[C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][C@][Branch1][C][O][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][O]
|
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl
|
5783757
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][Cl]
|
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
100065511
|
[O][=C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O]
|
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](N)C1
|
659565778
|
[C][O][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][N][C][Ring1][=Branch1]
|
C[C@@H](O)C(=O)N1CCN(c2ccc(C(N)=O)nn2)CC1
|
677957624
|
[C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][Ring1][=Branch2][C][C][Ring1][#C]
|
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(=O)c1ccccc1
|
101135650
|
[C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CN1CCN(C(=O)CN2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1
|
1857695129
|
[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C@@H1][C][O][C][C@][Ring1][Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCC(=O)O
|
1575523
|
[N][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]
|
COCC[C@@H]1COCCN1CC(=O)N1CCNC(=O)C1
|
368280475
|
[C][O][C][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
O=C(N1CCNS(=O)(=O)CC1)C1(n2cnnn2)CC1
|
1875319116
|
[O][=C][Branch1][S][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][=Branch2][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][C][Ring1][Branch2]
|
C[C@]1(O)CCCN(C(=O)C(=O)N2CCNC[C@H](CO)C2)C1
|
2325787686
|
[C][C@][Branch1][C][O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][C][C@H1][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
CN1C(=O)[C@H]2COC[C@@H]1CN(c1cncc(C(N)=O)n1)C2
|
1875243013
|
[C][N][C][=Branch1][C][=O][C@H1][C][O][C][C@@H1][Ring1][Branch2][C][N][Branch1][S][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][=Branch2][C][Ring1][P]
|
CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2nn[nH]n2)C1=O
|
1875259476
|
[C][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][Ring2][Ring1][Ring1][=O]
|
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
|
5163035
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][F][C@H1][Ring1][Branch2][O]
|
CN(C)S(=O)(=O)N1CC[C@@]2(O)CCNC[C@@H]2C1
|
253495854
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][C][C][N][C][C@@H1][Ring1][#Branch1][C][Ring1][O]
|
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(C(=O)O)CC1
|
663127731
|
[C][O][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1]
|
C[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1ncnn1C
|
952869440
|
[C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=N][C][=N][N][Ring1][Branch1][C]
|
Cn1cc(CCC(=O)N2CCN3CCNC(=O)[C@H]3C2)cn1
|
215376054
|
[C][N][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][Ring1][O][C][=N][Ring2][Ring1][Ring2]
|
CS(=O)(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21
|
247561549
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][Ring1][O]
|
O=C1CCC(=O)N1CCNS(=O)(=O)C1COC1
|
330216916
|
[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][Ring1][Ring2]
|
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)N1CCOCC1
|
222703477
|
[N][C][=Branch1][C][=O][C][O][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CN1CCN(C(=O)CN2CCO[C@@H](C(=O)N(C)C)C2)CC1
|
670471636
|
[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C][O][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
NC(=O)COCC(=O)N1CCC2(CCNC[C@@H]2CO)CC1
|
219615543
|
[N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][N][C][C@@H1][Ring1][=Branch1][C][O][C][C][Ring1][=N]
|
CN(CC(=O)N1CCOC[C@@H]1C(=O)O)S(C)(=O)=O
|
299749046
|
[C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CN(N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
|
63197
|
[C][N][Branch1][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C]
|
COCCNCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
|
2196464
|
[C][O][C][C][N][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C]
|
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
|
3823492
|
[C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O]
|
O=C(O)CN(CCN1C(=O)C=CC1=O)CC(=O)O
|
39351117
|
[O][=C][Branch1][C][O][C][N][Branch1][=C][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C][=Branch1][C][=O][O]
|
OC[C@H]1O[C@@H](n2ccc(=S)nc2O)[C@H](O)[C@@H]1O
|
13518039
|
[O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=S][N][=C][Ring1][#Branch1][O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O]
|
CN1CC(=O)N2CCN(c3n[nH]c(=N)s3)C[C@@H]2C1=O
|
1857683283
|
[C][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][NH1][C][=Branch1][C][=N][S][Ring1][=Branch1][C][C@@H1][Ring1][N][C][Ring1][P][=O]
|
Cn1c(=O)c2c(nc(NN)n2CCO)n(C)c1=O
|
53829
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][=C][Branch1][Ring1][N][N][N][Ring1][#Branch1][C][C][O][N][Branch1][C][C][C][Ring1][S][=O]
|
O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
|
100604895
|
[O][=P][Branch1][C][O][Branch1][C][O][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]
|
COCCn1cnnc1[C@@H](C)NC(=O)Cn1nnnc1N
|
221249627
|
[C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][N]
|
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1CO
|
96031983
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=C][Ring1][S][C][O]
|
CN1CC[C@H](O)[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1
|
2100543168
|
[C][N][C][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O][C][Ring2][Ring1][Ring2]
|
NC(=O)COCC(=O)N[C@@H]1CCOC[C@H]1OCCO
|
223087060
|
[N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][C][C][O]
|
CN(C)S(=O)(=O)CCCN1C[C@H]2CNC[C@@]2(CO)C1
|
1772707800
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][C@H1][C][N][C][C@@][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][#Branch2]
|
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@@H]2O)c(=O)[nH]1
|
12503778
|
[N][C][=N][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C][C@@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][C]
|
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccccc2)[C@@H]1O
|
100820768
|
[C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][C][O]
|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(N)=O
|
245204272
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O]
|
O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2C[C@H](O)C[C@H]12
|
828896194
|
[O][=C][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][P][Ring1][=Branch1]
|
CN(C)C(=O)CN1CCN[C@H]2CS(=O)(=O)C[C@H]21
|
253495602
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][N][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][Ring1][O]
|
CNc1nc(C)cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1
|
552158401
|
[C][N][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][C]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.