id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
1498901
|
Given a compound's SMILES string, does Sc1ccccc1 produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3006633
|
Given a compound's SMILES string, does CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1.[Na+] produce a positive toxicity call in the ATG_AP_2_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1998943
|
In the ATG_FoxO_CIS_up Attagene reporter-gene assay, does the molecule C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2565197
|
Does the compound CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1 result in a positive toxicity outcome in the BSK_BE3C_MMP1_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5344363
|
Given a candidate compound's SMILES string, is the compound N#CCCO toxic in the ATG_Myb_CIS_up assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2285837
|
Given a compound's SMILES string, does O=C(OCCCCCOC(=O)c1ccccc1)c1ccccc1 produce a positive toxicity call in the BSK_hDFCGF_MMP1_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
9513
|
Is CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-], given as a SMILES string, classified as toxic in the ATG_SREBP_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4258538
|
In the TOX21_p53_BLA_p4_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CCOC(=O)c1ccccc1OC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4841254
|
Is COc1cc(Cl)c(OC)cc1Cl, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1179163
|
Given a compound's SMILES string, does CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl produce a positive toxicity call in the ATG_RORb_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3477112
|
In the NVS_NR_hPPARa Novascreen nuclear-receptor binding assay, does the molecule CCCCCCCCCC(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
490749
|
In the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule OCCSSCCO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3075783
|
Is O=C(CCN1CC1)OCC(CO)(COC(=O)CCN1CC1)COC(=O)CCN1CC1, given as a SMILES string, classified as toxic in the ATG_Ets_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5234794
|
Given a compound's SMILES string, does CC(=O)OCc1ccccc1 produce a positive toxicity call in the ATG_ERE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3223891
|
Does the compound CCCCP(CCCC)CCCC result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3186712
|
Given a compound's SMILES string, does CCCCCC(C)O produce a positive toxicity call in the ATG_GR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
876540
|
Is CC(CC(C)C)=NO, given as a SMILES string, classified as toxic in the ATG_PXRE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4276366
|
Does the compound C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C result in a positive toxicity outcome in the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2620359
|
Given a compound's SMILES string, does ClC=C(Cl)Cl produce a positive toxicity call in the TOX21_TR_LUC_GH3_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2860731
|
Given a candidate compound's SMILES string, is the compound CC(C)(C)NC[C@H](O)c1ccc(O)cc1Cl toxic in the TOX21_AR_BLA_Agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2030584
|
Is CCCCCCCCP(=O)(O)O, given as a SMILES string, classified as toxic in the TOX21_AutoFluor_HEPG2_Cell_green NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
592606
|
In the TOX21_p53_BLA_p4_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
938029
|
In the ATG_LXRb_TRANS_up Attagene reporter-gene assay, does the molecule CC/C=C\CCCCO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3263168
|
Is CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.O.O, given as a SMILES string, classified as toxic in the NVS_ENZ_hBACE Novascreen enzyme-inhibition assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2308646
|
Given a candidate compound's SMILES string, is the compound Cc1ccc(N=C=O)cc1N=C=O toxic in the ATG_E_Box_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4127657
|
Given a candidate compound's SMILES string, is the compound CC(=O)OC/C=C(\C)CCC=C(C)C toxic in the ATG_GRE_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3346736
|
Given a compound's SMILES string, does COc1ccccc1N produce a positive toxicity call in the BSK_KF3CT_TIMP2_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4119402
|
Given a compound's SMILES string, does C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O produce a positive toxicity call in the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1325033
|
Does the compound CC(=O)O.CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C result in a positive toxicity outcome in the ATG_HNF6_CIS_dn Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
290485
|
Is CCCCCCCCCCCCCCCCC, given as a SMILES string, classified as toxic in the ATG_PXR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5204635
|
Given a compound's SMILES string, does O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1 produce a positive toxicity call in the CEETOX_H295R_ESTRONE_up H295R steroidogenesis assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2109977
|
Is C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4654363
|
In the ATG_Myb_CIS_up Attagene reporter-gene assay, does the molecule Clc1ccccc1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4201171
|
In the TOX21_p53_BLA_p1_viability NIH/EPA Tox21 reporter-gene assay, does the molecule OCCc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4394350
|
Is Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1, given as a SMILES string, classified as toxic in the ATG_CMV_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
711440
|
Does the compound Oc1ccccc1 result in a positive toxicity outcome in the TOX21_VDR_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
485508
|
Is CC/C(C)=N/O[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1240786
|
Does the compound IC(I)I result in a positive toxicity outcome in the BSK_3C_Thrombomodulin_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
601272
|
In the BSK_hDFCGF_TIMP1_down BioSeek primary-cell biomarker panel, does the molecule CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
822674
|
Given a candidate compound's SMILES string, is the compound CCCc1ccc(N)cc1 toxic in the ATG_STAT3_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
131417
|
Given a compound's SMILES string, does COCCCN produce a positive toxicity call in the TOX21_HSE_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4871064
|
In the TOX21_GR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(O)c1cccc(C(=O)O)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1950199
|
Is CCCCCCCCCCCCO, given as a SMILES string, classified as toxic in the ATG_ERE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3256413
|
Is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p5_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4001835
|
Given a compound's SMILES string, does C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 produce a positive toxicity call in the TOX21_p53_BLA_p4_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4237745
|
Given a compound's SMILES string, does CC(C)OC(=O)Cc1ccccc1 produce a positive toxicity call in the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
589462
|
Does the compound Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1 result in a positive toxicity outcome in the TOX21_p53_BLA_p3_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2713544
|
In the ATG_DR4_LXR_CIS_dn Attagene reporter-gene assay, does the molecule Cc1ccc(C)c(O)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5426129
|
In the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CC(CO)(CO)CO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4481825
|
Given a compound's SMILES string, does O=P([O-])([O-])OC[C@@]1(O)O[C@H](COP(=O)([O-])O)[C@@H](O)[C@@H]1O.[Na+].[Na+].[Na+] produce a positive toxicity call in the TOX21_p53_BLA_p1_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1405830
|
Is N#CSCC(=O)[O-].[Na+], given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1091642
|
In the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1324333
|
Does the compound CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O result in a positive toxicity outcome in the TOX21_PPARd_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1702757
|
In the ATG_RARb_TRANS_dn Attagene reporter-gene assay, does the molecule CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
620982
|
Given a candidate compound's SMILES string, is the compound CCNc1ccccc1 toxic in the BSK_CASM3C_uPAR_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4955743
|
Does the compound COC(OC)C(C)c1ccccc1 result in a positive toxicity outcome in the ATG_VDRE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4945503
|
In the ATG_STAT3_CIS_dn Attagene reporter-gene assay, does the molecule CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3570539
|
Given a candidate compound's SMILES string, is the compound N#Cc1cc(Br)c(O)c(Br)c1 toxic in the ATG_SREBP_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
791435
|
In the CLD_ABCG2_48hr CellzDirect hepatocyte induction assay, does the molecule CNC(=O)Oc1ccccc1OC(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5387896
|
Does the compound CC(C)(N)CO result in a positive toxicity outcome in the TOX21_AutoFluor_HEPG2_Media_blue NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4348594
|
Is N#CCCCCC#N, given as a SMILES string, classified as toxic in the BSK_CASM3C_TissueFactor_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3103056
|
In the NVS_IC_rNaCh_site2 Novascreen ion-channel binding assay, does the molecule OB(O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4143424
|
Does the compound CCC(=O)OC result in a positive toxicity outcome in the TOX21_AR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5520452
|
Does the compound CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br result in a positive toxicity outcome in the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3952713
|
Given a compound's SMILES string, does COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13 produce a positive toxicity call in the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2247569
|
Given a compound's SMILES string, does OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F produce a positive toxicity call in the OT_NURR1_NURR1RXRa_1440 OregonTox receptor–co-activator assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1038674
|
Is O=C(CS)OCCOC(=O)CS, given as a SMILES string, classified as toxic in the ATG_RARa_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1376622
|
In the TOX21_PPARg_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule COC(=O)C(C)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1805452
|
Given a compound's SMILES string, does O=C=NCc1cccc(CN=C=O)c1 produce a positive toxicity call in the ATG_RORb_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4639509
|
Given a candidate compound's SMILES string, is the compound COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC toxic in the TOX21_HSE_BLA_agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3856687
|
In the TOX21_AutoFluor_HEPG2_Cell_blue NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1.[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4536312
|
Given a candidate compound's SMILES string, is the compound CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1 toxic in the TOX21_AR_LUC_MDAKB2_Antagonist2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2118401
|
Given a compound's SMILES string, does C=CC(C)(C)C produce a positive toxicity call in the TOX21_VDR_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2773239
|
Given a candidate compound's SMILES string, is the compound CC(O)CC(C)(C)O toxic in the APR_HepG2_OxidativeStress_72h_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
205838
|
Given a candidate compound's SMILES string, is the compound CCN(CC)C(=O)SCc1ccc(Cl)cc1 toxic in the CLD_CYP2B6_24hr assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1885816
|
In the ATG_PXR_TRANS_dn Attagene reporter-gene assay, does the molecule NCCCN1CCN(CCCN)CC1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4638697
|
Given a candidate compound's SMILES string, is the compound C1=CCC=C1 toxic in the ATG_M_32_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3194154
|
Given a candidate compound's SMILES string, is the compound CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl toxic in the ATG_RXRb_TRANS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3010844
|
In the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3345937
|
Does the compound CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 result in a positive toxicity outcome in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
559678
|
Given a compound's SMILES string, does CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 produce a positive toxicity call in the ATG_Myc_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5402794
|
Given a compound's SMILES string, does CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 produce a positive toxicity call in the TOX21_TR_LUC_GH3_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4711752
|
In the ATG_ERE_CIS_up Attagene reporter-gene assay, does the molecule Nc1ccc(S(N)(=O)=O)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2008228
|
Given a compound's SMILES string, does ClCCOCCCl produce a positive toxicity call in the ATG_XTT_Cytotoxicity_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2308008
|
Given a compound's SMILES string, does CCC=C(C)C=O produce a positive toxicity call in the ATG_TAL_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4334214
|
Does the compound CCCC[n+]1cccc(C)c1.[Br-] result in a positive toxicity outcome in the TOX21_p53_BLA_p5_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4659017
|
Given a candidate compound's SMILES string, is the compound COC(=O)C=C(C)CCC=C(C)C toxic in the TOX21_AutoFluor_HEPG2_Cell_green assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
230016
|
Given a candidate compound's SMILES string, is the compound OC1CCC(C2CCCCC2)CC1 toxic in the ATG_NF_kB_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
801509
|
Is Cl.Nc1c2ccccc2nc2ccccc12.O, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p2_ch2 NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4798554
|
Given a compound's SMILES string, does CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O produce a positive toxicity call in the ATG_HNF4a_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1768118
|
Given a candidate compound's SMILES string, is the compound N#Cc1cc(I)c(O)c(I)c1 toxic in the ATG_STAT3_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
926578
|
Is CCOc1nc(C(Cl)(Cl)Cl)ns1, given as a SMILES string, classified as toxic in the BSK_KF3CT_TIMP2_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3196305
|
Given a candidate compound's SMILES string, is the compound Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 toxic in the BSK_3C_SRB_down assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4117933
|
Does the compound Nc1cc(Cl)cc(Cl)c1 result in a positive toxicity outcome in the TOX21_ARE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5511611
|
Does the compound O=C(O)C1C2CCC(O2)C1C(=O)O result in a positive toxicity outcome in the BSK_SAg_CD40_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
856518
|
Is N#C[S-].[Na+], given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1091289
|
In the TOX21_ERa_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
288603
|
In the TOX21_PPARg_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(=O)O[Co]N1/C2=C(/C)C3=N/C(=C\C4=N/C(=C(/C)C5=N[C@H]([C@H](CC(N)=O)[C@@]5(C)CCC(=O)NCC(C)OP(=O)(O)O[C@H]5[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]5CO)[C@@]1(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2734252
|
Given a candidate compound's SMILES string, is the compound CCCCCCCCn1sc(Cl)c(Cl)c1=O toxic in the ATG_RORE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2209125
|
Does the compound CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 result in a positive toxicity outcome in the BSK_SAg_PBMCCytotoxicity_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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