Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,461,389 | C1=CC=C(C(=C1)CNC(=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)CN4C=CC=N4 |
56,461,394 | C1=CC=C2C(=C1)C(=C(N2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N)Br |
56,461,395 | CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)NC4=NC(=CS4)C5=CNC(=C5)C(=O)N |
56,461,396 | CC1C(=O)N(NC(=N1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)C4=CC=CC=C4 |
56,461,397 | CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N |
56,461,398 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-] |
56,461,399 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C(C)NC(=O)C2=CC=C(S2)Br |
56,461,400 | CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)C)CC(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,401 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br |
56,461,402 | CC1=C(C=CC(=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)N3C=NN=N3 |
56,461,403 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CC3 |
56,461,404 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)COC2=CC3=C(C=C2)NC(=O)CC3 |
56,461,405 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCCNC(=O)NC2CCCCC2 |
56,461,406 | CC1=NC(=CS1)COC2=CC=CC=C2/C=C/C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,407 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC |
56,461,408 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=NN(C3=C2CCC3)C4=CC=C(C=C4)F |
56,461,409 | CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,410 | CC1=CC(=C(C=C1)C(C)C)OCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,411 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CC2=CC3=C(C(=C2)Cl)OCCO3 |
56,461,412 | CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N |
56,461,413 | CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,414 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-] |
56,461,415 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F |
56,461,416 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC |
56,461,417 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C |
56,461,418 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCCNC(=O)C2=CSC=C2 |
56,461,419 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CN2C(=O)CSC3=CC=CC=C32 |
56,461,420 | CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,421 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CC2=CSC(=N2)C3=CC=CC=C3 |
56,461,422 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 |
56,461,423 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CC2=CC=C(C=C2)Br |
56,461,424 | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,425 | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,426 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F |
56,461,427 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C |
56,461,428 | CCOC1=C(C=C(C=C1)/C=C/C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)OCC |
56,461,429 | CC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)NC(=O)C3=CC=CO3 |
56,461,430 | CC(C)CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NC4=C(C=CC=C4F)N5CCCC5)C(=O)NC1=O |
56,461,431 | CC(C)CN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3=C(C=CC=C3F)N4CCCC4)C(=O)NC1=O |
56,461,432 | CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,433 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)Cl |
56,461,434 | CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4)C)CCC(=O)OC |
56,461,435 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5 |
56,461,436 | COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,437 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)CCC(=O)C3=CC=C(C=C3)Br |
56,461,438 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=CC=C3)NC(=O)CCN4C=CN=C4 |
56,461,439 | COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)N3CCCC3)OCC4=CSC=N4 |
56,461,440 | CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCCC(C2)N(C)C |
56,461,441 | CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)N4CCCC(C4)N(C)C |
56,461,442 | CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCC(C3)N(C)C |
56,461,443 | CN(C)C1CCCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3 |
56,461,444 | CN(C)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F |
56,461,445 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl |
56,461,446 | CN(C)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N(C)C |
56,461,447 | CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)N3CCCC(C3)N(C)C |
56,461,449 | C1CC(OC1)COC2=CC=C(C=C2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,450 | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,451 | CC1=CC(=C(C=C1Br)C)SCC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,452 | C1=CC(=C(C=C1F)F)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,453 | C1=CC(=CC(=C1)Cl)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,454 | CCOC1=CC=C(C=C1)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,455 | C1=CC(=C(C(=C1)Cl)CC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)F |
56,461,456 | CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,457 | CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,458 | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)OCC |
56,461,459 | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,460 | CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,461 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3 |
56,461,462 | CN(OC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3 |
56,461,463 | CN(OC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,464 | C1=CC(=C(C(=C1)Cl)Cl)CN2C(=CC=N2)NC(=O)C3=CN4C=CN=C4C=C3 |
56,461,465 | CC(C1=CC=C(C=C1)F)N(C)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,466 | C1CCN(C1)C(C2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC4=CC=CC=C43 |
56,461,467 | C1=CC=C(C=C1)/C(=C\C(=O)NNC(=O)CC2=CC=CC3=CC=CC=C32)/C(F)(F)F |
56,461,468 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC(=C(C=C2)OC)OC(F)F)C3=CC=CC=C3 |
56,461,469 | C1CCC(C(C1)C(F)(F)F)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,470 | CCOC(=O)C1=C(C=C(S1)NC(=O)C(C2=CC=CC=C2)N3CCCC3)C |
56,461,471 | CC1(C2CCC1(C(C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C)C |
56,461,472 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5 |
56,461,473 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C(C)C |
56,461,474 | CCN(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,475 | CCOC(=O)C1=C(N=C(S1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C |
56,461,476 | CCOC(=O)C1=NN(C(C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CO3)C4=CC=CC=C4 |
56,461,477 | C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC(=N2)C(F)F |
56,461,478 | CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C(F)(F)F |
56,461,479 | CC1=CC(=CC(=C1)N2C(=CC(=N2)C)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C |
56,461,480 | COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,481 | COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,482 | C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)/C=C(\C4=CC=CC=C4)/C(F)(F)F |
56,461,483 | CCOC(=O)C1=NN(C(C1)C(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4)C5=CC=CC=C5 |
56,461,484 | CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C4=CC(=CC=C4)Br |
56,461,485 | COCCOC1=NC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3 |
56,461,486 | CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,487 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC4=C(C(=C3)Cl)OCCO4 |
56,461,488 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)N4C=CC=N4 |
56,461,489 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4C=NC=N4 |
56,461,490 | CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)Cl |
56,461,491 | C1COCCN1C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C4=CC=CC=C4Cl |
56,461,492 | CC1=CC=CC=C1C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,493 | CC1=CC=CC=C1C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |