SMILES
stringlengths 3
3.54k
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stringlengths 4
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|---|---|
Cc1ccc(Cn2c(=O)c(C(=O)NCC[NH+]3CCOCC3)nn(c3ccc(C)cc3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][N][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][NH1+1][C][C][O][C][C][Ring1][=Branch1][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][P] |
CCOc1ccc(C=CC(=O)OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C] |
COc1ccc(C2C[NH2+]Cc3c2ccc(OC)c3OC)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][NH2+1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2][O][C] |
CCC[NH2+]C(CC(C)CC)c1cc(C)c2ccccc2n1 | [C][C][C][NH2+1][C][Branch1][Branch2][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
CCN(Cc1cccc(F)c1)S(=O)(=O)c1c(F)cccc1F | [C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
O=Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1 | [O][=C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
C=CCN(CC=C)C(=S)Nc1ccc(Cl)nn1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1] |
CCC1CCC(C#N)(NC(=O)NC2CC2)CC1 | [C][C][C][C][C][C][Branch1][Ring1][C][#N][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][#C] |
Cc1ccc(C)c(N(C)CC(O)c2ccc(S(C)(=O)=O)cc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][N][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] |
COc1ccccc1n1ccn(CC(=O)NCc2ccc(F)cc2)c(=O)c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=O] |
CCc1ccc(CC2(C[NH2+]CCOC)CCOC2)cc1 | [C][C][C][=C][C][=C][Branch1][P][C][C][Branch1][#Branch1][C][NH2+1][C][C][O][C][C][C][O][C][Ring1][O][C][=C][Ring2][Ring1][C] |
C[NH+]=C(NCc1csc(C(C)(C)C)n1)NCc1ccc(C)cc1OCCCOC | [C][NH1+1][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][C][O][C] |
O=C(c1cccc(Cl)c1)N1CCC2(CC[NH2+]C2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch1][C][C][NH2+1][C][Ring1][Branch1][C][C][Ring1][#Branch2] |
Nc1cc(NC2CNC(=O)C2)nc(c2ccccc2)n1 | [N][C][=C][C][Branch1][N][N][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
O=C1CC2(CCCN(C(=O)c3ccc(OC4CCCCC4)cc3)C2)CN1 | [O][=C][C][C][Branch2][Ring2][Ring1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][Branch1][C][N][Ring2][Ring1][=Branch2] |
CC(C)(C)OC(=O)NC1CSc2ccc(C(=O)NC3CC3(F)F)cc2N(Cc2ccc(Cl)cc2)C1=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][Branch1][C][F][F][C][=C][Ring1][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=O] |
Cc1nc2ccccc2n1CC1CCN(C(=O)C=Cc2ccc3c(c2)OCO3)CC1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)C=Cc2ccc(F)cc2)c(=O)[nH]c1=O | [C][C][C][C][N][C][Branch1][C][N][=C][Branch2][Ring2][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=N][=O] |
Nc1ccc(NC(=O)c2ccc(Br)s2)cn1 | [N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][=N][Ring1][#C] |
Cc1nn(c2ccc(F)cc2C=O)c(C)c1C | [C][C][=N][N][Branch1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=O][C][Branch1][C][C][=C][Ring1][#C][C] |
OCCN(CC1CCC[NH2+]1)c1nc2ccc(Cl)cn2n1 | [O][C][C][N][Branch1][=Branch2][C][C][C][C][C][NH2+1][Ring1][Branch1][C][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] |
O=C(Nc1cc(c2nc(NCC3CCOCC3)ccc2F)c(Cl)cn1)C1C[NH2+]CCO1 | [O][=C][Branch2][Ring2][=Branch1][N][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][F][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][=Branch1][C][C][NH2+1][C][C][O][Ring1][=Branch1] |
Cc1cc(C)c(NC(=O)C2CCc3nc(c4cccnc4)sc3C2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][O][C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2] |
CC[NH2+]C12CCCC(CC1)N2 | [C][C][NH2+1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][N][Ring1][Branch2] |
CCc1cc(CCC(C[NH2+]C)c2ccccc2)n(C)n1 | [C][C][C][C][=C][Branch1][P][C][C][C][Branch1][Ring2][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][C] |
CC(=O)N1CCCCCC2C1C(c1ccccc1)CN2C(=O)CC(C)(C)C | [C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C] |
Cc1cc(Br)cc(CBr)c1OCc1ccncc1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CCOC(=O)CCC=CCC1COC(c2cccc(COc3ccc(C(=CCCCCC(=O)OCC)c4cccnc4)cc3)c2)OC1c1ccccc1O | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][C][C][O][C][Branch2][Branch1][C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][=N][=C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C][O][C][Ring2][Ring2][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
c1cc(C[NH2+]C2C3C4CCC(C4)C23)c2cc[nH]c2c1 | [C][=C][C][Branch2][Ring1][Ring1][C][NH2+1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Branch2][Ring1][#Branch1][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1] |
CCOC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][NH1+1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][#C] |
CCC(C(=O)OCC(C)C)n1cc(C)cc(Br)c1=O | [C][C][C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][Ring1][Branch2][=O] |
C[NH+](C)CCN1CC[NH+](C2CCC([NH3+])(CO)C2)CC1 | [C][NH1+1][Branch1][C][C][C][C][N][C][C][NH1+1][Branch1][#C][C][C][C][C][Branch1][C][NH3+1][Branch1][Ring1][C][O][C][Ring1][Branch2][C][C][Ring1][=C] |
CC(C)S(=O)(=O)OC1C(Oc2ccc(C(=O)c3ccccc3)cc2)COC1C(N)=O | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][O][C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] |
CC(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 | [C][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][F][C][C][Ring1][S][=C][Ring2][Ring1][#Branch1] |
Cc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][N][C][=C][N][N][=C][C][=Branch1][Branch2][=C][Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2] |
[NH3+]C1(C(=O)[O-])CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 | [NH3+1][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][C][Branch2][Ring1][=Branch1][NH1+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
Nc1nnc(c2ccc(Oc3ccc(F)cc3)cc2Cl)s1 | [N][C][=N][N][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Cl][S][Ring2][Ring1][Ring2] |
COc1ccccc1CCCNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCc1c(C)nc(C2CCCC2)n1N | [C][C][C][=C][Branch1][C][C][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][Ring1][O][N] |
COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1O | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Branch1][O] |
N#CC#Cc1cccc(C(F)(F)F)c1 | [N][#C][C][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
O=C([O-])C(Cc1ccccc1)Oc1ccc(c2ccc(c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1C1CCCC1 | [O][=C][Branch1][C][O-1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][C][C][C][C][Ring1][Branch1] |
CC#CCC([NH2+]CCC)c1ccc(SC)cc1 | [C][C][#C][C][C][Branch1][Branch1][NH2+1][C][C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
NS(=O)(=O)c1cccnc1NCc1ccn(C2CCCC2)n1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2] |
COc1c(C=O)ccc(c2cc(C(=O)[O-])on2)c1OC | [C][O][C][=C][Branch1][Ring1][C][=O][C][=C][C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][O][N][=Ring1][Branch2][=C][Ring1][S][O][C] |
C[NH+]1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1 | [C][NH1+1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(N(C)C)cc1 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] |
Cc1[nH]ncc1C[NH+](C)Cc1ccccc1OCC[NH+]1CCN(C)CC1 | [C][C][NH1][N][=C][C][=Ring1][Branch1][C][NH1+1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][NH1+1][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
COc1ccc(CNC(=O)C=Cc2csc(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CCc1cccnc1C(O)CCC1CCCO1 | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][C][C][O][Ring1][Branch1] |
O=C1C[NH+](CC2CCC[NH+]3CCCCC23)CCN1Cc1ccc2c(c1)OCO2 | [O][=C][C][NH1+1][Branch1][S][C][C][C][C][C][NH1+1][C][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CCSCC(C)NC(=O)Cn1cnc(N)n1 | [C][C][S][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][N][=N][Ring1][=Branch1] |
Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccc(F)cc1 | [C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][N][=C][C][Branch1][C][C][=C][Ring1][O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCNC(NC1CCN(CC(F)F)CC1)=[NH+]CCCc1ccc(OC)c(OCC)c1 | [C][C][N][C][Branch2][Ring1][C][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][=NH1+1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring2][O][C][C][=C][Ring1][O] |
CC(C(=O)Nc1ccccc1c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 | [C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1+1][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CC(c1ccc(F)cc1)N(C)C(=O)NC1CCC(=O)NC1C1CCCO1 | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1] |
Cc1oc(c2ccccc2)nc1CCNC(=O)C1CCC1 | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2] |
NC(=O)c1c[nH+]c(Cl)cc1NCc1cccc([N+](=O)[O-])c1 | [N][C][=Branch1][C][=O][C][=C][NH1+1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
COc1cc2c3c(n(C)c2cc1Cl)C[NH2+]CC3(C)C | [C][O][C][=C][C][C][=C][Branch1][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl][C][NH2+1][C][C][Ring1][N][Branch1][C][C][C] |
O=C(CC1CCS(=O)(=O)C1)NCC[NH+]1CCc2c(Cl)cccc2C1 | [O][=C][Branch1][#C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][C][C][NH1+1][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
CC(C)(C)OC(=O)Nc1ccc(F)c(NC2CC[NH2+]C2)c1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][C][NH2+1][C][Ring1][Branch1][=C][Ring1][=N] |
O=C(NCC1(Cn2cccn2)CC1)c1cccn1C1CC1 | [O][=C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1] |
CC(C)Cc1cc(Cl)cnc1N | [C][C][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N] |
CCNC(NCc1ncc(C)c(OC)c1C)=[NH+]Cc1ccc(S(C)(=O)=O)c(C)c1 | [C][C][N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=NH1+1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][O] |
O=C(NCCCCOc1ccc(F)cc1)c1cnc2ccccn2c1=O | [O][=C][Branch2][Ring1][C][N][C][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
COc1cccc(c2nc(COC(=O)c3ccc(n4c(C)c[nH]c4=O)cc3)cs2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][Branch1][C][C][=C][NH1][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][=C][S][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N][O][C] |
Cc1nsc2ncnc(N(C)CC3CCC[NH2+]3)c12 | [C][C][=N][S][C][=N][C][=N][C][Branch1][=N][N][Branch1][C][C][C][C][C][C][C][NH2+1][Ring1][Branch1][=C][Ring1][P][Ring1][=C] |
Cc1csc(C(O)C2CC2)[n+]1C | [C][C][=C][S][C][Branch1][#Branch2][C][Branch1][C][O][C][C][C][Ring1][Ring1][=N+1][Ring1][#Branch2][C] |
NC(=[NH+]c1ccc(CCCC(=O)Nc2ccccc2)cc1)c1cccs1 | [N][C][=Branch2][Ring1][=N][=NH1+1][C][=C][C][=C][Branch1][P][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=C][C][=C][S][Ring1][Branch1] |
COC(=O)C1CON2CC(=O)N(C)c3ccc(Cl)cc3C12c1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(CNS(=O)(=O)NC1CC1)CC(=O)[O-] | [C][C][Branch1][S][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][=Branch1][C][=O][O-1] |
[NH3+]C1(CCc2c(Br)ccc3c2OCO3)CC1 | [NH3+1][C][Branch2][Ring1][Ring1][C][C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1][C][C][Ring1][#C] |
CCOC(=O)C(C)(CC(C)[NH+](C)C(C)C1CC1)[NH2+]C(C)C | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch2][Ring1][Ring1][C][C][Branch1][C][C][NH1+1][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][NH2+1][C][Branch1][C][C][C] |
CC(CN1CCCC1)[NH2+]CCOCCO | [C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][NH2+1][C][C][O][C][C][O] |
CC(=Cc1cc(CO)ccn1)CO | [C][C][=Branch1][=C][=C][C][=C][C][Branch1][Ring1][C][O][=C][C][=N][Ring1][Branch2][C][O] |
COc1ccccc1CN(CCO)C(=O)NCc1ccc(C)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] |
Cc1ccc2nc(SCC(=O)[O-])n(C(C)C[NH+](C)C)c2n1 | [C][C][=C][C][=C][N][=C][Branch1][Branch2][S][C][C][=Branch1][C][=O][O-1][N][Branch1][O][C][Branch1][C][C][C][NH1+1][Branch1][C][C][C][C][Ring1][S][=N][Ring2][Ring1][Ring2] |
OCC[NH+]1CCN(c2nc(NCc3cccnc3)n3ncc(Br)c3n2)CC1 | [O][C][C][NH1+1][C][C][N][Branch2][Ring1][=C][C][N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][N][=Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
Fc1ccc(C2CCC[NH+]2Cn2cc(Cl)cn2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][C][NH1+1][Ring1][Branch1][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
N#CCCN(CC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1 | [N][#C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][C][C][Ring1][Ring1] |
CCCNc1ncnc(N(CC)C(C)C)c1OC | [C][C][C][N][C][=N][C][=N][C][Branch1][O][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][=C][Ring1][N][O][C] |
CCC(=O)N(Cc1ccccn1)c1nc2c(C(C)C)cccc2s1 | [C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][S][Ring1][N] |
CCOC(=O)C1=C(c2ccc(OC)cc2)CC(=O)CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][C][C][C][C][Ring1][P] |
O=C([O-])N1C(=O)C(c2ccc3c(c2)OCO3)N2CC1C2=[NH+]CCc1ccccc1 | [O][=C][Branch1][C][O-1][N][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][Ring1][S][C][Ring1][Ring2][=NH1+1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(c2sc(NC(C)C3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCCC(O)C1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][S][C][Branch1][=C][N][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1] |
COCc1nc(c2cccc(F)c2Br)oc1C(=O)[O-] | [C][O][C][C][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Br][O][C][=Ring1][=N][C][=Branch1][C][=O][O-1] |
CCC(CC)C([NH3+])c1c(C(C)(C)C)nc2ccc(C)cn12 | [C][C][C][Branch1][Ring1][C][C][C][Branch1][C][NH3+1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][=C][Ring1][#Branch1] |
O=C1CC(C(=O)Nc2ccc(n3ccnc3)c(F)c2)c2ccccc2N1 | [O][=C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2] |
CCCc1ccc(CCCC(C)=O)s1 | [C][C][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][=O][S][Ring1][O] |
C[NH2+]CCC(=O)NC1CCN(c2cccc(OC)c2)C1 | [C][NH2+1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N] |
Cc1noc(C)c1C(C)N1CCC[NH2+]C(C)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][C][C][NH2+1][C][Branch1][C][C][C][Ring1][Branch2] |
CC(CO)SCc1cncc(F)c1 | [C][C][Branch1][Ring1][C][O][S][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCC1CN(C(=O)NCc2cnc(Cl)s2)CC(C)O1 | [C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][P] |
CCC(CC(=O)OC)NC(=O)COc1ccc(C)cc1C | [C][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] |
CCCc1noc(c2ccc(n3ncc(C(=O)Nc4ccc(F)cc4C)c3C)nc2)n1 | [C][C][C][C][=N][O][C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][N][=C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][N] |
COCCOCC(O)Cn1cc(C)cn1 | [C][O][C][C][O][C][C][Branch1][C][O][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1] |
CC(Sc1nc2ccccc2c(=O)n1c1ccc(F)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] | [C][C][Branch2][Ring1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C | [C][C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C] |
C[N+](C)(C)CCCCC1NC(=O)C2CC(C(=O)NCCCCC[NH3+])C(c3ccc(O)cc3)N2C1=O | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][NH3+1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=O] |