smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
O=C(O)c1cn(CCNS(=O)(=O)C2CC2)nn1 | 11,600 |
CNCC1CCCN(C(=O)c2cccc(OCc3csc(C)n3)c2)C1 | 11,601 |
Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(OC(C)C)cc4)no3)C2)cc1 | 11,602 |
CCC(CC)C(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3ccc(OC)cc3)[C@@H]2C1 | 11,603 |
NC(=O)c1ccc(N2CCn3ncc(Cl)c3C2)nc1 | 11,604 |
O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(F)c(Cl)c1 | 11,605 |
Fc1cc(Br)cc(-c2nnc(CCCl)o2)c1 | 11,606 |
CC(=O)c1c(C)[nH]c(C(=O)NCCCn2cnc3ccccc32)c1C | 11,607 |
Cc1ccc(C(=O)N2CCn3cnnc3C2C)cc1S(C)(=O)=O | 11,608 |
N#CCC(SC1CCCC1)c1ccccc1 | 11,609 |
CC(C)n1cnc2ccc(CNC(=O)C3CC34CCCC4)cc21 | 11,610 |
CC(C)CCC(=O)Nc1ccc(Br)c(C(=O)O)c1 | 11,611 |
NNc1nc(F)ccc1F | 11,612 |
CN(C(=O)C1(C(=O)O)CCC1)C1CCSC1 | 11,613 |
CCCn1c(S)nnc1N(C)C(C)c1cccs1 | 11,614 |
CN1CCCC(CCC(=O)NCCc2noc(-c3ccccc3)n2)C1 | 11,615 |
CC(=O)N1CCN(CC2CCC(c3ccccc3)CC2)CC1 | 11,616 |
CSc1ncccc1C(=O)N1CC(CC(=O)O)C1 | 11,617 |
C=CCCCCCOS(C)(=O)=O | 11,618 |
Cc1cc(I)ccc1NC(=O)OCc1cccc(Br)c1 | 11,619 |
Cc1nc2ccccc2n1CCNC1CCS(=O)CC1 | 11,620 |
COc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c(OC)c1 | 11,621 |
CNc1cc(S(=O)(=O)NC(C)C)ccc1OC | 11,622 |
O=C(O)Cc1cc(CCl)c(C(F)(F)F)cc1Cl | 11,623 |
O=C1CC(C(=O)N2CCC(c3nn[nH]n3)CC2)CN1Cc1ccccc1 | 11,624 |
O=S(=O)(Cl)c1c(C(F)F)ccnc1C(F)(F)F | 11,625 |
O=C(O)c1ccc(CN2CCOC(Cc3ccccc3)C2)cc1 | 11,626 |
O=C(O)C1Cc2ccccc2CN1C(=O)C1CCN(C(=O)C2CCCC2)CC1 | 11,627 |
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cccc(OC)c21 | 11,628 |
CCOC(=O)c1cc(C(F)F)c(CCl)cc1Br | 11,629 |
CC1CC(CN)CN1C(=O)c1ccc(-c2ccccc2)cc1 | 11,630 |
COC1C2CCCC2C1NC(=O)Cc1c(C)cccc1C | 11,631 |
Cc1cc(S(=O)(=O)N(CC(C)(C)O)C2CC2)n(C)n1 | 11,632 |
COCCNC(=O)C1(c2ccccc2F)CC1 | 11,633 |
Cc1nn(C(=O)COC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c(C)c1Cc1ccccc1F | 11,634 |
COc1cc(C(=O)NC2(CC(=O)O)CCC2)sc1Br | 11,635 |
Cc1ccc(OCCn2cc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c3ccccc32)cc1 | 11,636 |
CN(C)Cc1ccccc1-c1ccc(C(=O)NCCCc2ccccn2)cn1 | 11,637 |
CC(NC(=O)c1ccsc1C(=O)O)c1nc(C(C)(C)C)cs1 | 11,638 |
CCOc1ccc(C(=O)O)c(OC)c1F | 11,639 |
COC(=O)C1=C(C(=O)c2ccco2)C(c2ccccc2)NC(=S)N1 | 11,640 |
CCc1ccncc1NC(=O)N(C)CCc1cccs1 | 11,641 |
CCCC/C=C/CC(=O)O | 11,642 |
Cc1cc(C(=O)NC2CCCCC2)c(C)n1CC(F)(F)F | 11,643 |
Cn1ccnc1C1N(C(=O)c2ccccc2OC2CC2)CC1(C)C | 11,644 |
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)C(C)(C)CCl | 11,645 |
CCCSCc1noc(CC(O)C2CCCC2)n1 | 11,646 |
CCc1nn(C)c(N(C)CCC(F)(F)F)c1N | 11,647 |
O=C(Nc1ccccc1Cl)c1cc2ccc(Cl)cc2[nH]1 | 11,648 |
Cc1ccccc1C1(C(=O)NCC2CCCN2c2cccnn2)CCCC1 | 11,649 |
C=C(CC(=O)CCn1ccc2ccccc21)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 | 11,650 |
CC1(CC(=O)C2CCCCC2)CCCC1 | 11,651 |
CCn1ncnc1C(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O | 11,652 |
CC(C)OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 | 11,653 |
O=C(NCCc1ncc2ccccn12)C(c1ccc(F)cc1)C1CC1 | 11,654 |
COCC(Cc1ccccc1)Nc1ncnc2c1CCCC2 | 11,655 |
CCCN(C(=O)C[C@H]1CCCNC1)C1CCNCC1 | 11,656 |
CC(=O)c1cnn(-c2cc(N(CCO)CCO)ncn2)c1C | 11,657 |
OC(Cc1ccc(Br)s1)c1csnn1 | 11,658 |
CC1CCC(=O)N(Cc2nnsc2NN)CC1 | 11,659 |
COc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 | 11,660 |
CC(C)Cc1cc(C(=O)N2CC3(CCOCC3)CCC2CO)cc(O)n1 | 11,661 |
COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1Cl | 11,662 |
CCCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC)cc3)C2c2ccc(OC)c(Cl)c2)cc1OC | 11,663 |
Cc1cc(C)n2nc(SCC(=O)Nc3ccc(Br)cc3)nc2n1 | 11,664 |
COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCCC2 | 11,665 |
COC(=O)c1ccc(NC(=O)NC(C)(C)CCC(=O)O)c(F)c1 | 11,666 |
CC(C)(C)CC(=O)N[C@@H]1COC[C@H]1O | 11,667 |
Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)c(=O)[nH]n1 | 11,668 |
C#CCN(CCC)C(=S)NC | 11,669 |
CCC(C)(C)C(=O)Nc1ccccc1CO | 11,670 |
Cn1cc(C(NC(=O)Cc2ccccn2)[C@H]2C[C@@H](O)C2)cn1 | 11,671 |
Cc1cc(NC(=O)N2CCC(C)(F)C2)n(C)n1 | 11,672 |
O=C(c1cccs1)N1CCNC(c2cccnc2)C1 | 11,673 |
COC(=O)COC1C(NC(=O)c2cccnc2)C(OC(C)=O)OC(COC(C)=O)C1OC(C)=O | 11,674 |
O=C(COC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)NCc1ccc2c(c1)OCO2 | 11,675 |
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)nc23)cc1 | 11,676 |
Nc1cccc(-c2cc(Br)ccc2F)n1 | 11,677 |
OC[C@H]1CCCN1CCOc1ccccc1Cl | 11,678 |
CCCCCNc1nccc(NCCOC)n1 | 11,679 |
CCc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1 | 11,680 |
CCCNc1cc(SCCO)ncn1 | 11,681 |
CCOC1CC(NC(=O)N2CCC(CN)CC2)C12CCOCC2 | 11,682 |
C=C(C)CCC1CCCC(Br)C1 | 11,683 |
C#CCCCC(Cl)C1CC1 | 11,684 |
COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1OC | 11,685 |
Cc1ncccc1OC(C)CCC(=O)NN | 11,686 |
COCCOc1ccccc1NC(=O)C1c2c[nH]nc2CCC1C | 11,687 |
Cc1ccc(CCC(=O)N2CCC(c3nn[nH]n3)C2)c(C)c1 | 11,688 |
O=C(COc1ccc2c(c1)CCCC2)NCC1(CO)CCCC1 | 11,689 |
COc1cccc(CN2C(=O)N(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc32)c1 | 11,690 |
CNc1cncc(Oc2cccc(N(C)C)c2)c1 | 11,691 |
COc1cccc(-c2cc(C(F)(F)F)ncn2)c1 | 11,692 |
CCCC(CNCC)N(C)C1CCC(C)(C)CC1 | 11,693 |
O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | 11,694 |
N#Cc1c(F)cccc1C(=O)NCc1cc(F)cc(F)c1 | 11,695 |
Cc1ncc(C(=O)NCCN2CCOCC2)c(O)n1 | 11,696 |
CC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC(C)O1 | 11,697 |
CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2C)CC1 | 11,698 |
COc1ccc(Cl)cc1NC(=O)CN1CCNCC1 | 11,699 |
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