SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | pmo |
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 | pmo |
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C2CCCCN2)C1 | pmo |
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | pmo |
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | pmo |
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | pmo |
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | pmo |
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | pmo |
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | pmo |
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C | pmo |
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCC(c2ccccc2)CC1 | parp1 |
N#Cc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnco4)cc3)nc12 | parp1 |
CC(C)(c1nc2c(C(N)=O)cccc2[nH]1)N1CCCC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnco4)cc3)nc12 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCC2)CC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncc3ccccc3n2)CC1 | parp1 |
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)cn23)ccc1F)N1CCCNCC1 | parp1 |
O=S(=O)(NCCCN1CCOCC1)c1ccc2c(c1)Cc1c-2nc(O)c2ccccc12 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCCN(C4CCCC4)CC3)nc12 | parp1 |
CN1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccnc1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCNC1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CNC1 | parp1 |
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnc[nH]4)cc3)nc12 | parp1 |
CNC(C)(C)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(C)CCCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncnc3ccccc23)CC1 | parp1 |
O=C1NCCc2c(-c3ccc(CN4CCCC4)cc3)[nH]c3cccc1c23 | parp1 |
CNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cscn4)cc3)nc12 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C(C)(C)N(C)C)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cc3ccccc3cn2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(CN4CCCCC4)cc3)nc12 | parp1 |
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCNCC1 | parp1 |
CC(C)(NCC1CC1)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ncccn2)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccn2)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCOC2)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCN(C4CCCC4)C3)nc12 | parp1 |
C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCCN1 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(CCc2ccccc2)C1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc12 | parp1 |
Cc1nn(C)c2[nH]c(=O)c3c(c12)CCCC3 | parp1 |
NC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12 | parp1 |
CNC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 | parp1 |
Cc1nc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)co1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCCC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(Cc5ccc(F)cc5)CCCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCN2)CC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
CNC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CCCC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(N5CCCC5)CCCC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCO4)CC3)c2)n[nH]c(=O)c1C | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccccc5n4)cc3)nc12 | parp1 |
N#Cc1ccc(N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)cc1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCO2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3)nc12 | parp1 |
CCCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1 | parp1 |
N#Cc1ccc(C2=CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCNCC1 | parp1 |
CC(C)N1CC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1 | parp1 |
CC(C)(c1nc2c(C(N)=O)cccc2[nH]1)N1CCCCC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(C)CCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncccn2)CC1 | parp1 |
O=C(c1ncc[nH]1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C4CCCN4)cc3)nc12 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCCCC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
CNC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1 | parp1 |
CC1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4noc(=S)[nH]4)cc3)nc12 | parp1 |
CNCc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(Nc5ccccc5)CCCC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4CCNC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
CC(C)(NC1CCCC1)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(CC2CC2)CC1 | parp1 |
Cc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1 | parp1 |
NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)c(F)c3)nc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccccc1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1ccccc1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)[C@@H]1CCCN1 | parp1 |
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