blc-org/A-secret-data-repo huggingface dataset:
Task: mol_und
molecule: CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N(CCO)CCO)nc21
c1ccc(-c2ccccc2)cc1
Answer: Yes
Task: mol_und
molecule: Cc1ccc(C(=NO)NCCN2CCOCC2)c(Oc2cccc(F)c2)n1
C1COCCN1
Answer: Yes
Task: mol_und
molecule: COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCCC(=O)NO
c1ccc2ncncc2c1
Answer: Yes
Task: mol_und
molecule: NC(=O)OC(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1
c1ccc(N2CCNCC2)cc1
Answer: Yes
Task: mol_und
molecule: CNC(=O)C(NC(=O)C(CC(C)C)C(C(=O)NO)C1CCCC1)C(C)(C)C
C1CCCC1
Answer: Yes
Task: mol_und
molecule: CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
c1ccccc1
Answer: Yes
Task: mol_und
molecule: CCOC(=O)c1cnc2ccnn2c1SCC
c1cnc2ccnn2c1
Answer: Yes
Task: mol_und
molecule: CCC(=O)NCCCCN1CCN(c2ccccc2OC)CC1
c1ccc(N2CCNCC2)cc1
Answer: Yes
Task: mol_und
molecule: CN1C(=O)C(Cc2ccc(-c3ccccc3[N+](=O)[O-])cc2)NC(=O)c2cc(Cl)ccc21
c1ccc(-c2ccccc2)cc1
Answer: Yes
Task: mol_und
molecule: CCC(O)COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12
c1cc2[nH]ncc2cn1
Answer: Yes
Task: mol_und
molecule: Cc1ccc(-c2csc3ncnc(NCCCC(=O)O)c23)cc1C
c1ccc(-c2csc3ncncc23)cc1
Answer: Yes
Task: mol_und
molecule: Cc1c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(=O)n(-c2ccccc2)n1C
c1ccc(-n2cccn2)cc1
Answer: Yes
Task: mol_und
molecule: CC(NC(=O)Nc1cc2[nH]nc(OC(F)F)c2cn1)c1ccccc1
c1cc2[nH]ncc2cn1
Answer: Yes
Task: mol_und
molecule: CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1
c1ccc2sccc2c1
Answer: Yes
Task: mol_und
molecule: O=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1
c1cnc2ncncc2n1
Answer: Yes
Task: mol_und
molecule: FC(F)(F)c1ccccc1-c1nccc(NCc2ccccc2)n1
c1ccc(-c2ncccn2)cc1
Answer: Yes
Task: mol_und
molecule: O=C(c1ccc(Br)o1)N1CCc2ccccc21
c1ccc2c(c1)CCN2
Answer: Yes
Task: mol_und
molecule: C=CCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
c1ccc(C2(c3ccccc3)CNCN2)cc1
Answer: Yes
Task: mol_und
molecule: O=C(O)CSc1nonc1-c1ccccc1
c1ccc(-c2cnon2)cc1
Answer: Yes
Task: mol_und
molecule: CC1CCCCN1CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1F
C1CCNCC1
Answer: Yes
Task: mol_und
molecule: CC(C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CC(C)(C)C1=O
c1ccc(N2CCNCC2)cc1
Answer: Yes
Task: mol_und
molecule: O=C(CCCCCCc1ccccc1)c1ncc(-c2cc([N+](=O)[O-])ccn2)o1
c1ccc(-c2cnco2)nc1
Answer: Yes
Task: mol_und
molecule: CN1CCN(CC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1
C1CNCCN1
Answer: Yes
Task: mol_und
molecule: CC(c1nc(C2CC2)no1)N1CCN(Cc2cccc(F)c2F)CC1
c1nc(C2CC2)no1
Answer: Yes
Task: mol_und
molecule: COc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2c(OC)c1OC
c1ccc2ncncc2c1
Answer: Yes
Task: mol_und
molecule: c1ccc(Nc2ccc(Oc3nccnc3C3CCOC3)cc2)nc1
c1cnc(C2CCOC2)cn1
Answer: Yes
Task: mol_und
molecule: O=C(OCc1ccccc1)C1COC(c2cccc(F)c2)=N1
c1ccc(C2=NCCO2)cc1
Answer: Yes
Task: mol_und
molecule: Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
c1ccc(-c2csc3ncncc23)cc1
Answer: Yes
Task: mol_und
molecule: O=S(=O)(NCCCCCO)c1ccc(-c2ccc(O)cc2)cc1
c1ccc(-c2ccccc2)cc1
Answer: Yes
Task: mol_und
molecule: CCC(C(=O)NC(C#N)CC(N)=O)N(Cc1ccc(-c2cccc(F)c2F)cc1)S(C)(=O)=O
c1ccc(-c2ccccc2)cc1
Answer: Yes
Task: mol_und
molecule: CC(NC(=O)Nc1cc2[nH]nc(CNCC(F)F)c2cn1)c1ccccc1
c1cc2[nH]ncc2cn1
Answer: Yes
Task: mol_und
molecule: O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cnccn1
c1ccccc1
Answer: Yes
Task: mol_und
molecule: Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1
c1ccc(-c2nc[nH]c2-c2ccncc2)cc1
Answer: Yes
Task: mol_und
molecule: CC1C2Cc3ccc(N)cc3C1(C)CCN2
c1ccc2c(c1)CC1CC2CCN1
Answer: Yes
Task: mol_und
molecule: COc1cccc(CN2CCC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1
c1ccccc1
Answer: Yes
Task: mol_und
molecule: CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)C1
C1CCNCC1
Answer: Yes
Task: mol_und
molecule: CC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
c1ccc(-c2cnc3ncncc3c2)cc1
Answer: Yes
Task: mol_und
molecule: CON=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1
c1ccc(N2CCNCC2)nc1
Answer: Yes
Task: mol_und
molecule: O=C(CCCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)NO
c1ccc2c(c1)CCO2
Answer: Yes
Task: mol_und
molecule: c1cc(Nc2ccon2)nc(Nc2ccc(N3CCOCC3)cc2)n1
c1ccc(N2CCOCC2)cc1
Answer: Yes
Task: mol_und
molecule: N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)c2cccc(Cl)c2)CC1
C1=C(n2cccn2)CCNC1
Answer: No
Task: mol_und
molecule: Fc1cccc(CNc2cccc(-c3cc(NCCC4CCCNC4)ncc3Cl)n2)c1
c1ccc(-c2ccccn2)cc1
Answer: No
Task: mol_und
molecule: O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1O
c1cncc(N2CCOCC2)c1
Answer: No
Task: mol_und
molecule: CC1=C(CC(=O)OCCCCO)c2cc(F)ccc2C1=Cc1ccc(S(C)(=O)=O)cc1
C1=[SH]Cc2ccccc21
Answer: No
Task: mol_und
molecule: CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1
C1=NCCCC1
Answer: No
Task: mol_und
molecule: Fc1ccccc1C1CCN(Cc2nc(CC3CC3)no2)C1
C1=C(c2ccccc2)CCN1
Answer: No
Task: mol_und
molecule: Cc1cccc2[nH]c(-c3ccccn3)nc12
C1=C=c2[nH]c(-c3ccccn3)nc2=CC=1
Answer: No
Task: mol_und
molecule: O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1csnn1)C1CCCC1
C1=C=NC=CC=1
Answer: No
Task: mol_und
molecule: O=C(O)c1ccccc1Nc1ccnc(N2CCCCC2)n1
C1=CCN(c2ncccn2)CC1
Answer: No
Task: mol_und
molecule: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(N)=O)CC1
C1=CNCCC1
Answer: No
Task: mol_und
molecule: Cc1c(F)ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCN(C)CC2)c1Cl
C1=CN(c2ccccc2)CCN1
Answer: No
Task: mol_und
molecule: C#Cc1cc(Oc2cnc(NCC(C)O)nc2N)c(C(C)C)cc1OC
C1=C=CC=CC=1
Answer: No
Task: mol_und
molecule: N=C(N)c1ccc(-c2c[nH]cn2)cc1
c1cncc(-c2c[nH]cn2)c1
Answer: No
Task: mol_und
molecule: O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1
C1=C=CC=CC=1
Answer: No
Task: mol_und
molecule: CCc1ccc(OC(C)=O)c(C(=O)c2ccc(C)cc2)c1
C1=C=CC=CC=1
Answer: No
Task: mol_und
molecule: Cc1ccc(-c2nc3ccccc3c(=O)n2CCN)cc1
C1=C=C(c2ncc3ccccc3n2)C=CC=1
Answer: No
Task: mol_und
molecule: Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
C1CNNCN1
Answer: No
Task: mol_und
molecule: NC(=O)c1cncnc1Nc1cccc(C(F)(F)F)c1
c1ccncc1
Answer: No
Task: mol_und
molecule: CC(C)=Cc1ccc2cc(NC(=O)C3CC3)ncc2c1
C1=C=c2ccncc2=CC=1
Answer: No
Task: mol_und
molecule: CN1CCN(c2ncnc3ccc(-c4ccccc4Cl)cc23)CC1
C1=C=CC(c2ccc3ncnc(N4CCNCC4)c3c2)=CC=1
Answer: No