Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,460,572 | CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)N4CCC(CC4)N5CCCC5 |
56,460,573 | CC1=CC(=CC=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5 |
56,460,574 | C1CCN(C1)C2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5 |
56,460,575 | C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4 |
56,460,576 | CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(NN=C3C(=O)N)C)Cl |
56,460,577 | CC1=CC(=C(O1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NC4=C(NN=C4C(=O)N)C |
56,460,578 | CC1=C(C(=NN1)C(=O)N)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl |
56,460,579 | CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(NN=C3C(=O)N)C |
56,460,580 | CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(NN=C3C(=O)N)C)C |
56,460,581 | CC1=C(C(=NN1)C(=O)N)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl |
56,460,582 | CCOC1=C(C=C(C=C1)CCNC(=O)C2CCC3(CC2)C(=O)NC(=O)N3)OCC |
56,460,583 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl |
56,460,584 | C1CC2(CCC1C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)NC(=O)N2 |
56,460,585 | CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,460,586 | CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,587 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=C(C=C3)C(F)(F)F |
56,460,588 | CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,589 | CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CN(C)C(=O)OC(C)(C)C |
56,460,590 | CC1=C2CCCN(C2=C(C=C1)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N |
56,460,591 | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC(=C4)CN5CCOCC5 |
56,460,592 | C1CCN(CC1)C(CNC(=O)/C=C(\C2=CC=CC=C2)/C(F)(F)F)C3=CC=CO3 |
56,460,593 | C1CCN(CC1)C(CNC(=O)C(C2=CC=CC=C2)N3CCCC3)C4=CC=CO4 |
56,460,594 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4Cl |
56,460,595 | C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,596 | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,597 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC=C(C=C3)OC(F)F |
56,460,598 | CCOC(=O)C1=NN(C(C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C4=CC=CC=C4 |
56,460,599 | CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC=CN2C3CCN(CC3)C(=O)OC(C)(C)C |
56,460,600 | C1CC2(CCC1C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F)C(=O)NC(=O)N2 |
56,460,601 | CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,460,602 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NCC3=NC4=CC=CC=C4S3 |
56,460,603 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NCC(F)(F)F |
56,460,604 | CCC(CNC(=O)C1CC2=CC=CC=C2CN1C(=O)CC(C)C)C3=CC=CC=C3 |
56,460,605 | C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)/C=C(\C4=CC=CC=C4)/C(F)(F)F |
56,460,606 | C1CC2(CCC1C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C(=O)NC(=O)N2 |
56,460,607 | CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,608 | CC(C)CC(CNC(=O)C1CC2=CC=CC=C2CN1C(=O)CC(C)C)N3CCOCC3 |
56,460,609 | COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,460,610 | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,460,611 | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,612 | CN1C=C(C=C1C(=O)NNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)Br |
56,460,613 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC(=C(C=C3)OC(F)F)CC4=CC=CC=C4 |
56,460,614 | C1CN(CCN1CCOC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,460,615 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)COCC(F)(F)F |
56,460,616 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NN3C=NC4=CC=CC=C43 |
56,460,617 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=NN=C4N3CCCCC4 |
56,460,618 | CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C)C |
56,460,619 | CCOC(=O)C1=NN(C(C1)C(=O)N(C)CC(=O)NC2=CC=CC(=C2C)C)C3=CC=CC=C3 |
56,460,620 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F |
56,460,621 | CCOC(=O)C1=NN(C(C1)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4 |
56,460,622 | C1CC2(CCC1C(=O)NCC(C3=CC=CC=C3Cl)N4CCOCC4)C(=O)NC(=O)N2 |
56,460,623 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC(C3=CC=CC=C3Cl)N4CCOCC4 |
56,460,624 | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C)C |
56,460,625 | CCN(C)C(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C |
56,460,626 | CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C |
56,460,627 | CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CN(C)C(=O)OC(C)(C)C |
56,460,628 | CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3)Cl |
56,460,629 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=NC=C4 |
56,460,630 | CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,631 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)CN4C(=O)N5C=CC=CC5=N4 |
56,460,632 | C1CN(CCN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,633 | C1CC2(CCC1C(=O)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)Cl)Cl)C(=O)NC(=O)N2 |
56,460,634 | CCN(CC)C(CC1=CC=CC=C1)CNC(=O)CN(C)C(=O)OC(C)(C)C |
56,460,635 | CCN(CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,460,636 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC(=CC4=C3OCOC4)F |
56,460,637 | CCOC(=O)C1=NN(C(C1)C(=O)NCCC2=CC(=CC3=C2OCOC3)F)C4=CC=CC=C4 |
56,460,638 | CN(CCCC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4 |
56,460,639 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCCC3=CC=CC=C3 |
56,460,640 | C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,460,641 | CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,460,642 | C1=CC=C(C=C1)/C(=C\C(=O)NC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CO3)/C(F)(F)F |
56,460,643 | CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,460,644 | CCOC(=O)C1=NN(C(C1)C(=O)NCC2=C(N=CC=C2)N(C)C)C3=CC=CC=C3 |
56,460,645 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3=CC(=NC=C3)OCC(F)(F)F |
56,460,646 | COC(=O)CNC(=O)CC1=CC=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,460,647 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)CC(=O)NCC(=O)OC |
56,460,648 | C1CN(CCC1C(=O)NC2=CC=CC=N2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,649 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4 |
56,460,651 | CC1=CC2=C(O1)CC(CC2NC(=O)C3=CC=CC(=C3)CN4CCOCC4)(C)C |
56,460,652 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OC(C)C |
56,460,653 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)Cl)F |
56,460,654 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)N3CCOC4C3CCCC4 |
56,460,655 | C1CC2(CCC1C(=O)NC3=CC=CC(=C3)COC4=CC5=C(C=C4)OCO5)C(=O)NC(=O)N2 |
56,460,657 | CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4)C |
56,460,658 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)N(C)CC(=O)NC3=CC=CC(=C3)C#C |
56,460,659 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=CC=CC(=C3)C#C |
56,460,660 | CCOC(=O)C1=NN(C(C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C#C)C3=CC=CC=C3 |
56,460,661 | CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4)F)C |
56,460,662 | COC(=O)CSCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)F |
56,460,663 | C1CC2(CCC1C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)F)C(=O)NC(=O)N2 |
56,460,664 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NC3=CC=CC(=C3)CN4CCCC4C(=O)N |
56,460,665 | CC1=C(N=C(S1)NC(=O)C2CCC3(CC2)C(=O)NC(=O)N3)C4=CC=C(C=C4)F |
56,460,666 | CC(C)(C)OC(=O)N(C)CC1CCCN(C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,667 | CC(C)(C)OC(=O)N(C)CC(=O)NC1=CC=C(C=C1)N(C)C(=O)OC |
56,460,668 | CC1=CC(=NN1C(C)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4)Cl)C |
56,460,669 | C1CC2(CCC1C(=O)NC3(CC3)C4=CC=C(C=C4)Br)C(=O)NC(=O)N2 |
56,460,670 | C1CC2(CCC1C(=O)N(CC3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=N4)C(=O)NC(=O)N2 |
56,460,671 | C1COCCN1CC2=CC(=CC=C2)C(=O)N(CC3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=N4 |
56,460,672 | C1CCC(CC1)C(=O)NC2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3N5CCCC5 |
56,460,673 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)N3CCC(CC3)NC(=O)C4CCCCC4 |