id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
447791
|
In the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule NNC(=O)OCc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2316426
|
Given a compound's SMILES string, does Cc1ccc(C2OC[C@@H]3OC(c4ccc(C)cc4)O[C@H]([C@H](O)CO)[C@@H]3O2)cc1 produce a positive toxicity call in the ATG_GR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1840795
|
Given a compound's SMILES string, does CCOC(=O)[C@]1(c2ccccc2)Oc2ccccc2[C@@H]1N produce a positive toxicity call in the Tanguay_ZF_120hpf_PIG_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3508922
|
Does the compound C=CCN=C=S result in a positive toxicity outcome in the TOX21_AutoFluor_HEK293_Cell_blue NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5338431
|
Given a compound's SMILES string, does CC(C)(N)Cc1ccc(Cl)cc1.Cl produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3771973
|
Does the compound CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C result in a positive toxicity outcome in the TOX21_p53_BLA_p2_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4863672
|
Given a candidate compound's SMILES string, is the compound O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl toxic in the ATG_AR_TRANS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4158030
|
Does the compound CCc1nn(C2CCCCC2)c2cc([C@]3(C#N)CC[C@@H](C(=O)O)CC3)ccc12 result in a positive toxicity outcome in the TOX21_ESRE_BLA_ch2 NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3600531
|
Given a compound's SMILES string, does CCN(CC)c1ccc(C=O)c(O)c1 produce a positive toxicity call in the BSK_4H_Eotaxin3_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5192671
|
Does the compound C=CC(C)(CCC=C(C)C)OC(=O)CC result in a positive toxicity outcome in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3995786
|
Given a candidate compound's SMILES string, is the compound COc1ccccc1N toxic in the TOX21_PPARd_BLA_antagonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
483532
|
Given a compound's SMILES string, does CC/C=C\CCOC(=O)c1ccccc1O produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3791148
|
Is C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@H]12, given as a SMILES string, classified as toxic in the TOX21_ERa_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4255255
|
In the BSK_CASM3C_VCAM1_down BioSeek primary-cell biomarker panel, does the molecule CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3597902
|
Is NCCCN1CCN(CCCN)CC1, given as a SMILES string, classified as toxic in the ATG_GR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
376513
|
Does the compound CCCCNP(N)(N)=S result in a positive toxicity outcome in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5274756
|
Given a candidate compound's SMILES string, is the compound CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC toxic in the TOX21_ESRE_BLA_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4347279
|
Does the compound CC(=O)Nc1ccccc1O result in a positive toxicity outcome in the TOX21_TR_LUC_GH3_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
770344
|
Does the compound Cc1ccc(C)c(C)c1 result in a positive toxicity outcome in the TOX21_AR_LUC_MDAKB2_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3409954
|
Given a compound's SMILES string, does C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O produce a positive toxicity call in the TOX21_AutoFluor_HEPG2_Cell_green NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1315873
|
Given a compound's SMILES string, does CC(C)(C)C(=O)c1ccccc1 produce a positive toxicity call in the ATG_CMV_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3284064
|
Is c1ccc2c(c1)c1cccc3ccc4cccc2c4c31, given as a SMILES string, classified as toxic in the BSK_CASM3C_LDLR_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3743028
|
Given a candidate compound's SMILES string, is the compound O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1.[Na+].[Na+] toxic in the TOX21_p53_BLA_p4_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3033633
|
Does the compound CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O result in a positive toxicity outcome in the ATG_RORg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
680840
|
Is C[N+](C)(C)CC(=O)O.[Cl-], given as a SMILES string, classified as toxic in the ATG_NF_kB_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3237757
|
Does the compound CCCCNc1ccccc1 result in a positive toxicity outcome in the ATG_NF_kB_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1276588
|
Is CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12, 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
|
3210027
|
In the TOX21_AR_LUC_MDAKB2_Antagonist NIH/EPA Tox21 reporter-gene assay, does the molecule O.O=S(=O)([O-])CC(S)CS.[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2687163
|
Is CCOS(=O)(=O)OCC, given as a SMILES string, classified as toxic in the ATG_LXRa_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2075206
|
Is CC/C=C\CCOC(=O)c1ccccc1O, given as a SMILES string, classified as toxic in the BSK_CASM3C_LDLR_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
393246
|
In the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3629195
|
Is CC(=O)Nc1ccc(C)cc1C, given as a SMILES string, classified as toxic in the ATG_TGFb_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1233121
|
Given a compound's SMILES string, does CC(=O)c1cc2ccccc2s1 produce a positive toxicity call in the TOX21_FXR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4974318
|
Is O=C1CCCC(=O)O1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2192010
|
In the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(c1ccccc1)C1CCC1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2867035
|
Is CC(C)(CO)COC(=O)C(C)(C)CO, given as a SMILES string, classified as toxic in the ATG_STAT3_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5428018
|
In the TOX21_ARE_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(O)CNC(=O)c1ccccc1I show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3709539
|
Is Cc1ccc(N)c(S(=O)(=O)O)c1, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
576185
|
Given a candidate compound's SMILES string, is the compound CC=O toxic in the ATG_HIF1a_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3479914
|
Does the compound C=CCc1ccccc1O result in a positive toxicity outcome in the TOX21_HSE_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4846757
|
Given a candidate compound's SMILES string, is the compound O=C(O)CN(CC(=O)O)CC(=O)O toxic in the TOX21_p53_BLA_p5_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4454694
|
Given a compound's SMILES string, does CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5490464
|
Given a candidate compound's SMILES string, is the compound S=C([S-])NCCNC(=S)[S-].[Mn+2] toxic in the NVS_ENZ_hVEGFR2 assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3935971
|
Does the compound COc1cccc(OC)c1C(=O)O result in a positive toxicity outcome in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3698255
|
Given a candidate compound's SMILES string, is the compound CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1 toxic in the ATG_HIF1a_CIS_up assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
293487
|
In the ATG_HIF1a_CIS_dn Attagene reporter-gene assay, does the molecule [N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3662002
|
Given a compound's SMILES string, does O=C(O)Cc1cccc2ccccc12 produce a positive toxicity call in the ATG_DR5_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3234918
|
In the TOX21_p53_BLA_p3_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule SCCOCCOCCS show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1803319
|
Given a compound's SMILES string, does CNC(=O)Oc1cc(C)c(SC)c(C)c1 produce a positive toxicity call in the ATG_GLI_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1811285
|
Is CCNc1nc(NC(C)(C)C)nc(SC)n1, given as a SMILES string, classified as toxic in the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1488662
|
In the ATG_Oct_MLP_CIS_dn Attagene reporter-gene assay, does the molecule O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5396782
|
In the TOX21_HSE_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3649697
|
Does the compound COS(=O)(=O)[O-].Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C result in a positive toxicity outcome in the ATG_Ahr_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2967444
|
Given a compound's SMILES string, does CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1 produce a positive toxicity call in the CEETOX_H295R_PROG_up H295R steroidogenesis assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3687028
|
Does the compound C=CCc1ccc(O)c(OC)c1 result in a positive toxicity outcome in the ATG_TA_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
667688
|
Is CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1, given as a SMILES string, classified as toxic in the ATG_BRE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
799232
|
Does the compound Nc1ccc(N)c([N+](=O)[O-])c1 result in a positive toxicity outcome in the ATG_Sox_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3037739
|
Given a candidate compound's SMILES string, is the compound Nc1ccc(N)cc1 toxic in the TOX21_ERa_LUC_BG1_Agonist assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
679603
|
Given a candidate compound's SMILES string, is the compound Cc1ccc2c(c1)C(=O)OC2=O toxic in the ATG_GATA_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3795721
|
Does the compound N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O result in a positive toxicity outcome in the TOX21_PPARd_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1204913
|
Given a compound's SMILES string, does C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)[C@@H](O)[C@@H](O)C(=O)O 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
|
3287577
|
In the TOX21_AutoFluor_HEPG2_Media_blue NIH/EPA Tox21 reporter-gene assay, does the molecule CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C.[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1413228
|
Given a candidate compound's SMILES string, is the compound Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 toxic in the ATG_Xbp1_CIS_up assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1652228
|
Given a candidate compound's SMILES string, is the compound C[N+](C)(C)CC1CO1.[Cl-] toxic in the ATG_PXRE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3116279
|
Is CCCCCCCCCCCCBr, given as a SMILES string, classified as toxic in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5020139
|
Given a candidate compound's SMILES string, is the compound C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO toxic in the TOX21_PPARd_BLA_agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4534315
|
Does the compound CC1=C(C(=O)Nc2ccccc2)SCCO1 result in a positive toxicity outcome in the ATG_IR1_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1845606
|
Given a compound's SMILES string, does CCC(=O)c1ccc(Cl)cc1 produce a positive toxicity call in the TOX21_ERa_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4523652
|
Is CCCCCCCCCCO, given as a SMILES string, classified as toxic in the OT_ER_ERaERb_0480 OregonTox receptor–co-activator assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1651774
|
Given a compound's SMILES string, does CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O produce a positive toxicity call in the TOX21_PPARd_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2765127
|
Does the compound CNC(C)=O result in a positive toxicity outcome in the TOX21_PPARd_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1287514
|
Is CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4357279
|
Given a candidate compound's SMILES string, is the compound C=C(C)C(=O)OC toxic in the TOX21_VDR_BLA_agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
144796
|
Given a compound's SMILES string, does CCOC(=O)c1ccc(C)cc1 produce a positive toxicity call in the ATG_M_32_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
842010
|
Does the compound OCc1cccc(Oc2ccccc2)c1 result in a positive toxicity outcome in the ATG_Ahr_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4250594
|
Given a candidate compound's SMILES string, is the compound CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 toxic in the TOX21_GR_BLA_Agonist_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3499661
|
Given a candidate compound's SMILES string, is the compound NC(=O)CS(=O)C(c1ccccc1)c1ccccc1 toxic in the TOX21_p53_BLA_p4_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3101755
|
Is Oc1ccccc1, given as a SMILES string, classified as toxic in the ATG_HNF6_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4292571
|
In the BSK_CASM3C_LDLR_down BioSeek primary-cell biomarker panel, does the molecule O=C1CCCCCCCCCCC1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2307178
|
Does the compound CC(=O)C(C)C result in a positive toxicity outcome in the ATG_C_EBP_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4109201
|
Does the compound COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 result in a positive toxicity outcome in the BSK_3C_Thrombomodulin_up BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4844615
|
Given a compound's SMILES string, does Oc1c(Cl)ccc(Cl)c1Cl 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
|
4206487
|
Given a compound's SMILES string, does O=C([O-])c1ccccc1.[Na+] produce a positive toxicity call in the ATG_LXRb_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1360427
|
Is O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p1_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3137147
|
Given a compound's SMILES string, does CCCCCc1ccc(Cl)cc1 produce a positive toxicity call in the TOX21_p53_BLA_p1_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
335779
|
In the TOX21_NFkB_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5329115
|
Given a compound's SMILES string, does O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O produce a positive toxicity call in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4091739
|
In the TOX21_AutoFluor_HEK293_Media_blue NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)(C)NCCNC(C)(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5451613
|
Given a candidate compound's SMILES string, is the compound ClP(Cl)c1ccccc1 toxic in the TOX21_GR_BLA_Agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5370878
|
Given a candidate compound's SMILES string, is the compound CCCC=NO toxic in the ATG_NF_kB_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
169681
|
Is Cc1cccc([N+](=O)[O-])c1, given as a SMILES string, classified as toxic in the BSK_LPS_Eselectin_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
639422
|
Given a compound's SMILES string, does CC(C)c1cccc(C(C)C)c1N produce a positive toxicity call in the TOX21_p53_BLA_p2_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1743789
|
Does the compound CCC(=O)[O-].CCC(=O)[O-].[Ca+2] result in a positive toxicity outcome in the ATG_Sox_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5064169
|
Given a compound's SMILES string, does O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21 produce a positive toxicity call in the TOX21_ESRE_BLA_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3537274
|
In the TOX21_FXR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule O=[N+]([O-])c1ccc([O-])cc1.[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
736816
|
Is COP(=O)(OC)SCn1c(=O)oc2cc(Cl)cnc21, 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
|
3698658
|
Given a candidate compound's SMILES string, is the compound CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 toxic in the NVS_GPCR_hAdrb1 assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3872206
|
Does the compound CCc1cccc(CC)c1N(COC)C(=O)CS(=O)(=O)[O-].[Na+] result in a positive toxicity outcome in the ATG_RORg_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1746680
|
Given a candidate compound's SMILES string, is the compound Nc1cccc(C(F)(F)F)c1 toxic in the TOX21_ERa_BLA_Agonist_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3816473
|
Given a compound's SMILES string, does O=S(=O)([O-])c1ccc(O)cc1.[Na+] produce a positive toxicity call in the TOX21_ERa_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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