Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
28,303,338 |
CC1=C(C=CC(=C1)C2=CN3C=CC=C(C3=N2)N)Cl
|
28,303,339 |
CC(C)(C)C1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,340 |
CC1=CC(=C(C=C1)OC)C2=CN3C=CC=C(C3=N2)N
|
28,303,341 |
C1=CN2C=C(N=C2C(=C1)N)C3=CC(=C(C=C3)Cl)Cl
|
28,303,342 |
COC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,343 |
CCOC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,344 |
CCCOC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,345 |
CC(C)OC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,346 |
COC1=C(C=C(C=C1)C2=CN3C=CC=C(C3=N2)N)OC
|
28,303,348 |
C1=CN2C=C(N=C2C(=C1)N)C3=CC4=C(C=C3)NC(=O)O4
|
28,303,353 |
CN1C(=O)COC2=C1C=C(C=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,354 |
CCN1C(=O)COC2=C1C=C(C=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,355 |
CC(=O)N1CCC2=C1C=CC(=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,356 |
C1C(=O)NC2=C(O1)C=CC(=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,357 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=CC=C3
|
28,303,358 |
CC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C
|
28,303,359 |
CC1=C(C=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C)C
|
28,303,360 |
CCC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C
|
28,303,361 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)C(C)C
|
28,303,362 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(CCCC4)C=C3
|
28,303,363 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)Br
|
28,303,364 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)Cl
|
28,303,365 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)F
|
28,303,366 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)C4=CC=CC=C4
|
28,303,367 |
CC1=C(N=C2N1C=CC=C2N)C3=C(C=C(C=C3)Cl)Cl
|
28,303,368 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=CC=CC=C4C=C3
|
28,303,369 |
CC1=CC(=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C)C
|
28,303,370 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(C=C3)OCCO4
|
28,303,371 |
CC1=C(C=CC(=C1)C2=C(N3C=CC=C(C3=N2)N)C)Cl
|
28,303,372 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)C(C)(C)C
|
28,303,373 |
CC1=CC(=C(C=C1)OC)C2=C(N3C=CC=C(C3=N2)N)C
|
28,303,374 |
CC1=C(N=C2N1C=CC=C2N)C3=CC(=C(C=C3)Cl)Cl
|
28,303,375 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)OC
|
28,303,376 |
CCOC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C
|
28,303,377 |
CCCOC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)N)C
|
28,303,378 |
CC1=C(N=C2N1C=CC=C2N)C3=CC=C(C=C3)OC(C)C
|
28,303,379 |
CC1=C(N=C2N1C=CC=C2N)C3=CC(=CC=C3)OC
|
28,303,380 |
CC1=C(N=C2N1C=CC=C2N)C3=CC(=C(C=C3)OC)OC
|
28,303,382 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(C=C3)NC(=O)O4
|
28,303,387 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(C=C3)OCC(=O)N4C
|
28,303,388 |
CCN1C(=O)COC2=C1C=C(C=C2)C3=C(N4C=CC=C(C4=N3)N)C
|
28,303,389 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(C=C3)N(CC4)C(=O)C
|
28,303,390 |
CC1=C(N=C2N1C=CC=C2N)C3=CC4=C(C=C3)OCC(=O)N4
|
28,303,391 |
CC(C)(C)OC(=O)N1CCN(CC1)C2=C[NH+]=C(C=C2)N
|
28,303,393 |
CCS(=O)(=O)CC1=CC=C(S1)C(=O)O
|
28,303,395 |
COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)O)OC
|
28,303,397 |
COC1=C(C=C2C(=C1)N=NN2CC3=CC(=CC=C3)C(=O)O)OC
|
28,303,399 |
COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(O3)C(=O)O)OC
|
28,303,401 |
CC1=CC2=C(C=C1C)N=C(N2)CCCN
|
28,303,405 |
CC1=CC2=C(C=C1C)N=C(N2)[C@H](C)N
|
28,303,406 |
CC1=CC2=C(C=C1C)N=C(N2)C3=CC(=CC=C3)N
|
28,303,408 |
CC1=CC2=C(C=C1C)N=C(N2)CCCCCCCCCCN
|
28,303,410 |
CC1=CC2=C(C=C1C)N=C(N2)CCCCCN
|
28,303,421 |
CC1=CC2=C(C=C1C)N=C(N2)CCNC
|
28,303,426 |
COC1=C(C=C2C(=C1)NC(=N2)C3=CC(=CC=C3)N)OC
|
28,303,427 |
COC1=C(C=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N)OC
|
28,303,428 |
CC1=C(C=C(C=C1)C2=NC3=CC(=C(C=C3N2)OC)OC)N
|
28,303,429 |
COC1=C(C=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)N)OC
|
28,303,431 |
COC1=C(C=C2C(=C1)NC(=N2)CCCCCCCCCCN)OC
|
28,303,433 |
COC1=C(C=C2C(=C1)NC(=N2)CCCCCN)OC
|
28,303,443 |
COC1=C(C=C2C(=C1)NC(=N2)C3=CC=C(C=C3)CN)OC
|
28,303,445 |
CNCCC1=NC2=CC(=C(C=C2N1)OC)OC
|
28,303,446 |
C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])CCC[NH3+]
|
28,303,447 |
C1=CC=C2C(=C1)N=C(N2CC(=O)O)CCCN
|
28,303,457 |
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCN
|
28,303,459 |
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCN
|
28,303,461 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)CCCN
|
28,303,463 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCCN)Cl
|
28,303,465 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)Cl)CCCN
|
28,303,467 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)CCCN
|
28,303,469 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Br)CCCN
|
28,303,471 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Cl)CCCN
|
28,303,473 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)CCCN
|
28,303,474 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)[O-])CCC[NH3+]
|
28,303,475 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)O)CCCN
|
28,303,477 |
C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3CCCN
|
28,303,479 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)F)CCCN
|
28,303,481 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCCN)F
|
28,303,483 |
CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CCCN
|
28,303,485 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])CCCN
|
28,303,487 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)Cl)Cl)CCCN
|
28,303,489 |
CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCN
|
28,303,491 |
CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCN
|
28,303,492 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(=O)[O-])CCC[NH3+]
|
28,303,493 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(=O)O)CCCN
|
28,303,495 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCCN)C#N
|
28,303,497 |
C=CCN1C2=CC=CC=C2N=C1CCCN
|
28,303,499 |
CCCN1C2=CC=CC=C2N=C1CCCN
|
28,303,501 |
CCCCN1C2=CC=CC=C2N=C1CCCN
|
28,303,503 |
CCCCCN1C2=CC=CC=C2N=C1CCCN
|
28,303,505 |
CCCCCCN1C2=CC=CC=C2N=C1CCCN
|
28,303,507 |
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CCCN
|
28,303,509 |
C1=CC=C2C(=C1)N=C(N2CC#N)CCCN
|
28,303,511 |
CC(C)CCN1C2=CC=CC=C2N=C1CCCN
|
28,303,513 |
CC(C)CN1C2=CC=CC=C2N=C1CCCN
|
28,303,515 |
C1=CC=C(C=C1)CCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,516 |
C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])CCC[NH3+]
|
28,303,517 |
C1=CC=C2C(=C1)N=C(N2CCC(=O)O)CCCN
|
28,303,519 |
CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,521 |
CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCCN
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.