smiles stringlengths 7 778 |
|---|
Cc1cc(CN(C)C(=O)[O-])cc(F)c1c1nc2cn[nH]c2cc1C#N |
CCC[NH2+]Cc1cc(c2cncnc2)ccc1F |
Nc1cnc(c2ccc(C3CCC3)c(OCc3ccccc3OC(F)(F)F)c2F)cn1 |
CCCC([NH3+])(O)C(=O)NCc1ccccc1 |
CCN(CC)c1ccc(NC(=O)C2CCc3[nH]c4ccc(F)cc4c3C2)cc1 |
N#CC1(c2ccc(Cl)cc2)CC(F)C1 |
CC[NH2+]C(c1cc(C)sc1C)C1CCOc2ccccc21 |
Cc1ccc(S(=O)(=O)N2Cc3ccc(c4ccc(C)cc4)cc3C2)cc1 |
NC(N)=[NH+]c1nc(c2cccc(NC=[NH+]c3ccccc3)c2)cs1 |
c1cc(C2CCCC2)nc(C[NH2+]C2CC2)n1 |
NC1N[NH2+]C2C=C(Br)CCC12 |
CCOc1cc(N(CC)C2CCCC2C[NH3+])ncn1 |
CCCc1ccc(C(Cl)c2ccc(Cl)s2)cc1 |
COc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1 |
COc1cc(C)c(C(C)C[NH3+])cc1C(C)C |
O=S(=O)(Nc1ccc2c(c1)C(C1CC[NH2+]CC1)=CCO2)c1cccc(Cl)c1 |
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)C2c2cccnc2)cc1C(C)C |
CCC([NH3+])C(c1cnn(C)c1)N1CCCCC1C(=O)NC |
Cc1nc(C)c(C[NH2+]CC2(C3CC3)CC2)s1 |
O=C(c1ccnc(Cc2ccccc2)c1)N1CCCC(c2ncc(Cc3ccc(F)cc3)o2)C1 |
CC1CCCCC1[NH+](C)Cc1cc(F)cc(C(N)=S)c1 |
COc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1ccccc1[N+](=O)[O-] |
Cn1ccnc1C[NH2+]CC1CCC(C)(C)O1 |
CN(C)c1ccc(C[NH+]2CCCCCC2C(=O)[O-])cc1 |
Cc1cc(C=C2C(=[NH2+])N3C(SCc4ccccc4)=[NH+]SC3=[NH+]C2=O)c(C)n1c1ccc(Cl)cc1 |
CC(C)CCOC(C)C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O |
O=C1CC2(CC=CCC2)CC(=O)N1 |
Cc1cc(N2CCC(C)(Nc3nc4n(n3)CCCC4c3ccccc3)CC2)ncn1 |
Cc1ccc(NS(=O)(=O)c2cc(c3ccnn3C)cs2)cc1 |
Cc1cc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 |
O=C(Cn1c(C2CC2)nc2ccccc21)N1CCOCC(CO)C1 |
Cc1ccccc1C(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 |
CCOc1ncccc1NCc1cn(C)c2ccccc12 |
CC(C)N(CCc1ccncc1)C(=S)NC1CCCCC1 |
Cc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 |
CCN(CC)c1c(Cl)ccc(B(O)O)c1F |
Cc1cc(c2[nH]c3ccc(C4CCN(CC#N)CC4)cc3c2C(C)C)c(C)n2ncnc12 |
[C-]#[N+]c1ccc(n2c3ccccc3c3cc(c4ccc5c(c4)c4ccccc4n5c4cccc(c5cc(c6cc(c7ccccc7)ccc6c6ccccc6)nc(n6c7ccc(c8ccc9c(c8)c8ccccc8n9c8ccc9c(c8)C(CCCC)(CCCC)c8ccccc8-9)cc7c7cc(c8ccc9c(c8)c8ccccc8n9c8ccc9c(c8)C(CCCC)(CCCC)c8ccccc8-9)ccc76)n5)c4)ccc32)cc1 |
CCCC(C)COc1cccc2c1CCCC2[NH3+] |
CNc1nc(Cl)nc(NCCC2CCC(C)CC2)n1 |
Oc1ccc(NCc2cccc3c2NCCC3)cc1 |
COc1cc(CO)cc(Cl)c1OC1CCC(C)CC1 |
COc1ccc(CCNC(=O)CSc2nc(=O)c(C)n[nH]2)cc1OC |
COc1ccc(C(C)(N)C(F)(F)F)cc1OC |
C=CCN(C(=O)NC(CC(=O)[O-])C1CC1)C(C)C |
CC(C)(C)[NH2+]CC(Cc1ccccc1Br)CC1CCCC1 |
Cc1c(N)ncnc1Nc1ccccc1Cl |
COc1ccc2[nH]c(=O)c(N3CCCCC3)c([O-])c2c1 |
NS(=O)(=O)CCCNC1CS(=O)(=O)c2ccccc21 |
CC1CN(C(=O)Cn2cc(NC(=O)C([NH3+])C(C)(C)C)cn2)CC(C)O1 |
COc1ccccc1C1CN1N |
O=C(N1CC[NH+](C2CCCC2)CC1)[N+]1(C2CCCC2)CCNCC1 |
CCn1cncc1C(O)c1ccc2ccccc2c1 |
CCN(CCO)c1cncc(NC)n1 |
FC(F)(F)c1cc(Cl)cc(C2(C(F)(F)F)CCNC2)c1 |
CC(C)(C=O)c1ccc2cccc(O)c2c1 |
CCC1CCC(C)[NH+](CCCOc2ccc(N(C)CCN(CC)C(=O)c3ccc(C=CC(=O)[O-])cc3)cc2)C1 |
CCOCC(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC(O)C1 |
COc1ccc(CCc2nc3nccc(c4ccc(OC)c(OC)c4OC)n3n2)cc1OC |
CN(C)C(=O)c1ccc(c2cc([N+](=O)[O-])ccc2Cl)o1 |
CC(C)c1cc(Br)cnc1C(=O)[O-] |
Cc1ccc(n2c(N)c(C(=O)NCc3ccccc3)sc2=S)cc1C |
COc1ccc(Br)c2c1-c1nc(N=Cc3c(O)ccc4ccccc34)sc1C2 |
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)C(N)=O)cc1 |
CNc1cc(N2CCC(F)CC2)c(C(=O)NCC(F)(F)F)cc1N |
N#CCCN1C(=O)NC(c2ccc(F)cc2)C1=O |
CCC([NH3+])CC(=O)N(C)C1C2CC3CC(C2)CC1C3 |
COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)C2c2cccc(C)c2)cc1OC |
O=C(CC1CCSCC1)NC1(CBr)CCCC1 |
Cc1cccc(NCC(O)COc2cc(Cl)ccc2Cl)c1 |
NC(=O)CN(c1cc2[nH]c(=O)oc2cc1N)C1CCCC1 |
CC(C)CSCc1ccnc(N)c1 |
CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1OCC |
COc1ccc(CNC(=O)COc2ccc(Br)cc2C)cc1 |
[NH3+]CCc1c[nH]c2cc(Cc3ccccc3)ccc12 |
CC#CCN(C)S(=O)(=O)c1ccccc1Br |
C[NH+](C)CC1CCC(NC(=O)N2CCNC(=O)C2c2ccccc2Cl)CC1 |
C=C(C)c1cc(c2ccc(N3CCC(Cc4nc(C)c(OCc5ccccc5)c(C(=O)OC(C)(C)C)n4)CC3)cc2)ccc1CO |
C=CCn1c(=S)[nH]nc1c1sc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)nc1C |
Cc1ccc(c2c(C(=O)[O-])nnn2CC(=O)N2CCCC2)cc1 |
Cc1nc(NCc2ccccc2C)cc(C(=O)NCc2ccc(F)cc2)n1 |
CC1CCC(CNC(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 |
Cc1ccc(C)c(CCc2c(C(=O)[O-])noc2C)c1 |
CC(C)(C)NC(=O)CCNc1cc[nH+]cc1Br |
Cc1ccc2nc(C(C)Cl)n(CCOCC(F)F)c2n1 |
CCOC(=O)c1c([O-])c(N(C)C(C)(C)C)nn(CCC(C)(C)C)c1=O |
COc1ccc(C(=O)CCCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)cc1 |
CC(O)(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1 |
Cc1ccn(c2nc(NN)nc(N(C)C)n2)n1 |
CC[NH+]1CC(NC(=O)c2ccc(N)c(OC)c2)C1 |
Fc1c(CBr)cc2ccsc2c1I |
O=C1CCN(c2ccccc2F)C(=O)C(C2CC2)N1 |
C[NH2+]C(CO)CSc1nc2ccccc2s1 |
CCCNc1nnc(Cl)s1 |
Cc1c(O)ccc2cccc(SOONc3cccc(SOOO)c3)c12 |
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1 |
O=C(C(Cc1ccc(F)cc1)NC(=S)NCCc1cnc[nH]1)N1CCC(C(=O)[O-])(C2CCCCC2)CC1 |
c1ccc(N2CSCCCCCSC2)cc1 |
CCC1CCCC([NH2+]Cc2ccc(C(N)=[NH+]O)cc2Cl)C1 |
COc1c(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc2ccccc2c1Br |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.