compsciencelab/ames_mutagenecity_mordred · Datasets at Hugging Face

smiles stringlengths 3 105	problems stringlengths 151 291	solutions stringclasses 2 values	id int64 0 1.2k
Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3	Given the drug Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3 and this set of features from the molecule (BCUT2D_MWLOW: 9.85, BCUTdv-1h: 6.11, BCUT2D_MWHI: 17.29, AATSC1c: -0.01, qed: 0.54), decide if it is mutagenic. Reply only Yes or No.	Yes	0
CN(CC(O)CO)N=O	Assess mutagenicity for SMILES CN(CC(O)CO)N=O. Feature values: BCUT2D_MRLOW=0.07; BCUTdv-1h=6.04; BCUT2D_MWLOW=10.37; BCUTs-1h=7.01; BCUTi-1h=14.66. Output: Yes or No.	Yes	1
O=[N+]([O-])c1ccc(OC2CO2)cc1	For molecule O=[N+]([O-])c1ccc(OC2CO2)cc1, with properties BCUT2D_MWLOW=10.29, BCUT2D_MWHI=16.76, BCUTdv-1h=7.00, BCUT2D_MRLOW=-0.38, BCUTi-1h=14.59, is it mutagenic? Answer strictly Yes or No.	Yes	2
CC[C@H](CO)NCCN[C@H](CC)CO	Assess mutagenicity for SMILES CC[C@H](CO)NCCN[C@H](CC)CO. Feature values: BCUTdv-1h=5.01; BCUT2D_MRHI=4.67; BCUT2D_MWHI=16.25; BCUTse-1l=2.57; ATSC2pe=-1.07. Output: Yes or No.	No	3
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1	Assess mutagenicity for SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1. Feature values: BCUTse-1l=2.43; BCUTi-1h=17.43; qed=0.75; MATS2pe=0.39; MinEStateIndex=-4.61. Output: Yes or No.	No	4
Cc1ccc2c(ccc3ccccc32)c1	For molecule Cc1ccc2c(ccc3ccccc32)c1, with properties BCUT2D_MWHI=14.03, BCUTi-1h=11.64, BCUT2D_MRLOW=1.51, MinEStateIndex=1.31, BCUTse-1l=2.38, is it mutagenic? Answer strictly Yes or No.	Yes	5
OC[PH](CO)(CO)CO	Assess mutagenicity for SMILES OC[PH](CO)(CO)CO. Feature values: BCUT2D_MWHI=nan; AATSC1c=nan; BCUT2D_MRLOW=nan; BCUT2D_MRHI=nan; BalabanJ=3.82. Output: Yes or No.	No	6
C/C=C/c1ccc(OC)cc1	Given the molecule C/C=C/c1ccc(OC)cc1 and its features (MinEStateIndex: 0.90, RPCG: 0.14, BCUTs-1l: 1.52, BCUTse-1l: 2.43, BCUTi-1h: 13.63), decide if it is mutagenic. Reply only Yes or No.	No	7
c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31	Given the drug c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31 and this set of features from the molecule (MinAbsPartialCharge: 0.05, MaxAbsPartialCharge: 0.30, BCUT2D_MWLOW: 9.78, MinEStateIndex: 0.50, BCUTse-1l: 2.41), decide if it is mutagenic. Reply only Yes or No.	Yes	8
COc1nsc2cccc([N+](=O)[O-])c12	Given the drug COc1nsc2cccc([N+](=O)[O-])c12 and this set of features from the molecule (BCUTse-1h: 3.76, BCUT2D_MRHI: 7.13, BCUT2D_MRLOW: -0.38, BCUTdv-1h: 7.00, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.	Yes	9
CC(C)=CCC1CCCC1=O	Given the molecule CC(C)=CCC1CCCC1=O and its features (BCUT2D_MWLOW: 10.02, BCUT2D_MWHI: 16.14, BCUTi-1h: 13.64, AATSC1c: -0.00, BCUTse-1l: 2.48), decide if it is mutagenic. Reply only Yes or No.	No	10
Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1	SMILES: Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1. Using these properties — MATS2pe=0.07, VSA_EState5=2.83, MinEStateIndex=0.69, BCUTse-1l=2.44, AATSC1c=-0.01 — is the compound mutagenic? Answer Yes or No.	Yes	11
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	Given the molecule CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC and its features (BCUTs-1h: 7.01, BCUTse-1l: 2.55, BCUTi-1h: 13.64, BCUT2D_MWLOW: 10.07, BalabanJ: 3.27), decide if it is mutagenic. Reply only Yes or No.	No	12
OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O	SMILES: OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O. Using these properties — AATSC1c=-0.02, MinEStateIndex=-1.94, BCUT2D_MWLOW=9.76, BCUT2D_MRHI=5.05, RPCG=0.07 — is the compound mutagenic? Answer Yes or No.	No	13
CCOC(=O)N(CC)N=O	SMILES: CCOC(=O)N(CC)N=O. Using these properties — MinAbsPartialCharge=0.43, BCUTse-1h=3.74, BCUTs-1h=7.01, BCUTse-1l=2.62, BCUTi-1h=14.66 — is the compound mutagenic? Answer Yes or No.	Yes	14
CCCCCCN(N=O)C(N)=O	Assess mutagenicity for SMILES CCCCCCN(N=O)C(N)=O. Feature values: BalabanJ=3.45; BCUTse-1h=3.74; BCUTdv-1h=6.04; BCUTs-1h=7.01; BCUTi-1h=14.66. Output: Yes or No.	Yes	15
O=C(C(=O)c1ccccc1)c1ccccc1	Assess mutagenicity for SMILES O=C(C(=O)c1ccccc1)c1ccccc1. Feature values: BCUT2D_MRLOW=0.08; BCUTdv-1h=6.02; BCUTi-1h=13.64; BCUTse-1l=2.44; BCUT2D_MWHI=16.17. Output: Yes or No.	No	16
Cc1ccccc1OCC1CO1	Given the molecule Cc1ccccc1OCC1CO1 and its features (RPCG: 0.11, BCUT2D_MWHI: 16.60, AvgIpc: 2.86, ATSC2pe: -0.85, BCUTs-1l: 1.25), decide if it is mutagenic. Reply only Yes or No.	Yes	17
Oc1c(Cl)cccc1Cl	Given the drug Oc1c(Cl)cccc1Cl and this set of features from the molecule (BCUTse-1l: 2.44, BalabanJ: 3.25, BCUTs-1l: 1.29, qed: 0.62, BCUTi-1h: 13.62), decide if it is mutagenic. Reply only Yes or No.	No	18
Nc1ccccc1SCSc1ccccc1N	Assess mutagenicity for SMILES Nc1ccccc1SCSc1ccccc1N. Feature values: BCUTs-1l=0.62; RPCG=0.11; BCUTse-1l=2.44; BCUTse-1h=3.23; MinEStateIndex=0.83. Output: Yes or No.	Yes	19
Cc1ccncc1	SMILES: Cc1ccncc1. Using these properties — MinAbsPartialCharge=0.03, BCUT2D_MWHI=14.60, AATSC1c=-0.00, BCUT2D_MRHI=5.05, MinEStateIndex=1.26 — is the compound mutagenic? Answer Yes or No.	No	20
CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C	Given the drug CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C and this set of features from the molecule (MATS2pe: 0.27, AATSC1c: -0.01, MaxAbsPartialCharge: 0.46, BCUT2D_MWHI: 17.29, BCUTdv-1h: 6.11), decide if it is mutagenic. Reply only Yes or No.	Yes	21
Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2	Given the molecule Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 and its features (BCUTse-1l: 2.42, BCUTse-1h: 3.76, BCUTdv-1h: 7.00, BCUT2D_MRLOW: -0.38, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.	Yes	22
c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21	SMILES: c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21. Using these properties — BCUT2D_MRHI=5.95, BalabanJ=1.94, MinEStateIndex=0.51, AvgIpc=3.27, BCUTse-1l=2.39 — is the compound mutagenic? Answer Yes or No.	Yes	23
c1ccc(C2NC2c2ccccc2)cc1	SMILES: c1ccc(C2NC2c2ccccc2)cc1. Using these properties — BCUTse-1l=2.44, BCUT2D_MRHI=5.33, BCUT2D_MRLOW=1.03, AvgIpc=3.11, MATS2pe=-0.22 — is the compound mutagenic? Answer Yes or No.	Yes	24
Cc1ccc2ccccc2c1[N+](=O)[O-]	Assess mutagenicity for SMILES Cc1ccc2ccccc2c1[N+](=O)[O-]. Feature values: MinAbsPartialCharge=0.26; BCUT2D_MRLOW=-0.38; BCUT2D_MRHI=5.92; BCUTse-1l=2.40; BCUTi-1h=14.59. Output: Yes or No.	Yes	25
O=C1NC(=O)[C@@H]2CC=CC[C@H]12	Given the drug O=C1NC(=O)[C@@H]2CC=CC[C@H]12 and this set of features from the molecule (BCUTs-1l: 1.18, BCUTi-1h: 14.54, MATS2pe: 0.19, BCUTse-1l: 2.49, BCUT2D_MWHI: 16.17), decide if it is mutagenic. Reply only Yes or No.	No	26
COc1ccc(CNC(=O)C(C)Br)cc1	For molecule COc1ccc(CNC(=O)C(C)Br)cc1, with properties RPCG=0.16, MATS2pe=-0.01, qed=0.85, BCUTse-1l=2.44, BCUT2D_MWHI=79.92, is it mutagenic? Answer strictly Yes or No.	Yes	27
ClCc1cccc(CCl)c1	Given the drug ClCc1cccc(CCl)c1 and this set of features from the molecule (MinAbsPartialCharge: 0.05, BalabanJ: 2.87, BCUTse-1l: 2.44, AATSC1c: -0.00, BCUTi-1h: 12.98), decide if it is mutagenic. Reply only Yes or No.	No	28
CC1=CC[C@H]2C[C@@H]1C2(C)C	Given the molecule CC1=CC[C@H]2C[C@@H]1C2(C)C and its features (AATSC1c: -0.00, MinAbsPartialCharge: 0.01, BCUTse-1l: 2.46, BCUTi-1h: 11.55, BCUT2D_MWLOW: 9.49), decide if it is mutagenic. Reply only Yes or No.	No	29
CCCCN(N=O)/C(C=O)=N/O	Given the drug CCCCN(N=O)/C(C=O)=N/O and this set of features from the molecule (qed: 0.17, AvgIpc: 2.12, BCUTse-1h: 3.74, BCUTs-1h: 7.01, BCUTi-1h: 14.66), decide if it is mutagenic. Reply only Yes or No.	Yes	30
Cc1ccc(NN=NCc2ccccc2)cc1	For molecule Cc1ccc(NN=NCc2ccccc2)cc1, with properties BCUT2D_MWHI=15.41, AATSC1c=-0.00, BCUTdv-1h=5.21, MinEStateIndex=0.60, BCUTi-1h=14.76, is it mutagenic? Answer strictly Yes or No.	Yes	31
Cc1c2ccccc2c(CO)c2ccccc12	For molecule Cc1c2ccccc2c(CO)c2ccccc12, with properties BCUT2D_MRLOW=0.28, BCUTdv-1h=5.00, BCUT2D_MRHI=6.05, BCUTi-1h=13.62, BCUTse-1l=2.38, is it mutagenic? Answer strictly Yes or No.	Yes	32
CC(=O)c1ccccc1	SMILES: CC(=O)c1ccccc1. Using these properties — BalabanJ=2.98, VSA_EState5=0.12, AvgIpc=1.90, BCUT2D_MWHI=16.14, BCUTi-1h=13.64 — is the compound mutagenic? Answer Yes or No.	No	33
CN(C)CCOC(c1ccccc1)c1ccccc1	SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1. Using these properties — ATSC2pe=-1.08, BCUT2D_MRHI=5.29, AATSC1c=-0.00, BCUTse-1l=2.43, MATS2pe=-0.23 — is the compound mutagenic? Answer Yes or No.	No	34
O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4	For molecule O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4, with properties BCUTi-1h=14.59, BCUT2D_MRLOW=-0.38, BCUT2D_MWLOW=9.84, BCUTse-1l=2.37, BCUTdv-1h=7.00, is it mutagenic? Answer strictly Yes or No.	Yes	35
O=[N+]([O-])C(Cl)(Cl)Cl	Given the molecule O=[N+]([O-])C(Cl)(Cl)Cl and its features (BCUTi-1h: 14.59, BalabanJ: 3.79, MinEStateIndex: -2.36, AvgIpc: 1.31, RPCG: 0.85), decide if it is mutagenic. Reply only Yes or No.	Yes	36
COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl	Assess mutagenicity for SMILES COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl. Feature values: BCUTs-1l=1.25; BCUTdv-1h=7.00; BCUT2D_MRLOW=-0.39; BCUT2D_MWLOW=10.36; BCUTi-1h=14.60. Output: Yes or No.	Yes	37
CC(=O)Nc1ccc2ccccc2n1	SMILES: CC(=O)Nc1ccc2ccccc2n1. Using these properties — ATSC2pe=1.07, BCUTse-1l=2.42, MaxAbsPartialCharge=0.31, BCUT2D_MRHI=5.89, qed=0.74 — is the compound mutagenic? Answer Yes or No.	No	38
C=C(C)C=O	Given the molecule C=C(C)C=O and its features (RPCG: 0.32, AvgIpc: 1.38, BCUT2D_MWLOW: 10.41, MaxAbsPartialCharge: 0.30, qed: 0.33), decide if it is mutagenic. Reply only Yes or No.	Yes	39
O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1	SMILES: O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1. Using these properties — BCUTs-1h=8.00, BalabanJ=3.27, BCUT2D_MWHI=126.91, BCUTi-1h=14.60, BCUTdv-1h=7.01 — is the compound mutagenic? Answer Yes or No.	Yes	40
O=[N+]([O-])c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1O2	Given the drug O=[N+]([O-])c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1O2 and this set of features from the molecule (RPCG: 0.14, MATS2pe: 0.09, BCUTse-1h: 3.76, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.	Yes	41
CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1	Given the drug CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1 and this set of features from the molecule (BCUTdv-1h: 6.03, qed: 0.64, MaxAbsPartialCharge: 0.51, BCUTse-1l: 2.43, MinAbsPartialCharge: 0.34), decide if it is mutagenic. Reply only Yes or No.	No	42
CC(C)CNc1snc2ccccc12	For molecule CC(C)CNc1snc2ccccc12, with properties BCUTse-1h=3.32, BCUTse-1l=2.42, MinEStateIndex=0.66, BCUTs-1h=3.03, qed=0.83, is it mutagenic? Answer strictly Yes or No.	No	43
Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O	Given the molecule Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O and its features (BCUT2D_MRHI: 6.50, BCUT2D_MWHI: 16.17, MinAbsPartialCharge: 0.23, BCUTdv-1h: 6.02, BCUTse-1l: 2.38), decide if it is mutagenic. Reply only Yes or No.	Yes	44
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C	Given the drug CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C and this set of features from the molecule (BCUTdv-1h: 6.11, BCUT2D_MWLOW: 9.94, BCUT2D_MRHI: 4.75, AATSC1c: -0.00, BalabanJ: 4.23), decide if it is mutagenic. Reply only Yes or No.	No	45
Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1	Given the molecule Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1 and its features (BCUT2D_MRLOW: 1.21, BCUTse-1l: 2.44, MATS2pe: 0.09, RPCG: 0.06, BCUTi-1h: 14.74), decide if it is mutagenic. Reply only Yes or No.	Yes	46
OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1	Given the molecule OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1 and its features (AvgIpc: 3.07, BCUTse-1l: 2.43, BCUT2D_MWHI: 16.27, BalabanJ: 1.58, BCUT2D_MRHI: 5.25), decide if it is mutagenic. Reply only Yes or No.	No	47
O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O	Given the drug O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O and this set of features from the molecule (qed: 0.80, MinEStateIndex: -1.13, VSA_EState5: -2.23, MaxAbsPartialCharge: 0.48, BCUTse-1l: 2.43), decide if it is mutagenic. Reply only Yes or No.	No	48
CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1	Assess mutagenicity for SMILES CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1. Feature values: AvgIpc=2.75; BCUT2D_MRHI=7.91; BCUT2D_MRLOW=-0.40; BCUTdv-1h=7.00; BCUTi-1h=14.64. Output: Yes or No.	Yes	49
O=[N+]([O-])c1ccc(C2OCC3(CO)COC(c4ccc([N+](=O)[O-])cc4)N23)cc1	For molecule O=[N+]([O-])c1ccc(C2OCC3(CO)COC(c4ccc([N+](=O)[O-])cc4)N23)cc1, with properties BalabanJ=1.67, BCUT2D_MRHI=5.36, BCUTi-1h=14.60, BCUTdv-1h=7.01, AvgIpc=3.26, is it mutagenic? Answer strictly Yes or No.	Yes	50
CCOP(=S)(OCC(C)C)SCCl	Given the drug CCOP(=S)(OCC(C)C)SCCl and this set of features from the molecule (BCUTs-1l: 0.24, AATSC1c: -0.01, MinEStateIndex: -2.16, BCUT2D_MWHI: 35.50, BalabanJ: 3.99), decide if it is mutagenic. Reply only Yes or No.	No	51
CNC1=C2CC(=O)C(OC)=CC=C2c2c(cc(OC)c(OC)c2OC)CC1	For molecule CNC1=C2CC(=O)C(OC)=CC=C2c2c(cc(OC)c(OC)c2OC)CC1, with properties BCUT2D_MRHI=6.02, BCUT2D_MRLOW=-0.12, BCUTse-1l=2.42, qed=0.86, RPCG=0.07, is it mutagenic? Answer strictly Yes or No.	No	52
CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c1ccccc1	Given the molecule CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c1ccccc1 and its features (BalabanJ: 2.07, BCUT2D_MRHI: 9.10, BCUT2D_MRLOW: -0.31, VSA_EState5: -1.19, BCUTs-1h: 7.01), decide if it is mutagenic. Reply only Yes or No.	Yes	53
c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12	SMILES: c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12. Using these properties — MinAbsPartialCharge=0.00, BCUT2D_MRLOW=1.73, qed=0.33, MinEStateIndex=1.32, BCUTse-1l=2.40 — is the compound mutagenic? Answer Yes or No.	Yes	54
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23	Assess mutagenicity for SMILES O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23. Feature values: BCUTi-1h=13.65; qed=0.22; VSA_EState5=-2.75; MinAbsPartialCharge=0.34; BCUTse-1l=2.38. Output: Yes or No.	No	55
ClC(Cl)(Cl)[C@@H]1CO1	For molecule ClC(Cl)(Cl)[C@@H]1CO1, with properties BCUTi-1l=11.11, ATSC2pe=-0.23, qed=0.39, BCUT2D_MWHI=35.58, BCUT2D_MWLOW=10.56, is it mutagenic? Answer strictly Yes or No.	Yes	56
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC. Using these properties — AvgIpc=2.49, MaxAbsPartialCharge=0.49, AATSC1c=-0.02, BCUTse-1l=2.44, qed=0.85 — is the compound mutagenic? Answer Yes or No.	No	57
CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12	Given the drug CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 and this set of features from the molecule (BCUT2D_MWLOW: 9.97, ATSC2pe: -0.60, BCUTi-1h: 14.54, AvgIpc: 3.27, BalabanJ: 1.42), decide if it is mutagenic. Reply only Yes or No.	No	58
CCCCSCCC(N)C(=O)O	For molecule CCCCSCCC(N)C(=O)O, with properties BCUTs-1h=7.01, AATSC1c=-0.02, BCUT2D_MWHI=32.17, ATSC2pe=1.06, MaxAbsPartialCharge=0.48, is it mutagenic? Answer strictly Yes or No.	No	59
Clc1cc(Cl)c(Cl)c(Cl)c1Cl	SMILES: Clc1cc(Cl)c(Cl)c(Cl)c1Cl. Using these properties — MaxAbsPartialCharge=0.08, AATSC1c=-0.00, BCUTi-1h=12.98, BCUTs-1h=2.12, BalabanJ=3.46 — is the compound mutagenic? Answer Yes or No.	No	60
CC(N)C(O)c1ccccc1	Given the molecule CC(N)C(O)c1ccccc1 and its features (BCUTi-1h: 14.54, ATSC2pe: -0.14, BCUTse-1l: 2.44, BCUT2D_MWHI: 16.27, BCUT2D_MRHI: 5.18), decide if it is mutagenic. Reply only Yes or No.	No	61
Clc1ccccc1	Given the drug Clc1ccccc1 and this set of features from the molecule (BCUTs-1h: 2.28, AvgIpc: 1.69, MinEStateIndex: 0.79, AATSC1c: -0.00, BCUTi-1h: 12.97), decide if it is mutagenic. Reply only Yes or No.	No	62
NP(=O)(OCCC(=O)O)N(CCCl)CCCl	Given the molecule NP(=O)(OCCC(=O)O)N(CCCl)CCCl and its features (BCUT2D_MRHI: 7.53, BalabanJ: 4.23, AATSC1c: -0.03, BCUT2D_MWHI: 35.50, BCUT2D_MWLOW: 10.48), decide if it is mutagenic. Reply only Yes or No.	Yes	63
CCCCN(N)CCCC	Assess mutagenicity for SMILES CCCCN(N)CCCC. Feature values: BCUT2D_MRHI=4.47; BCUTse-1l=2.58; AATSC1c=-0.00; MinAbsPartialCharge=0.01; BCUTi-1h=14.65. Output: Yes or No.	No	64
O=C1NC(=O)c2ccccc21	Given the drug O=C1NC(=O)c2ccccc21 and this set of features from the molecule (AvgIpc: 2.30, BCUT2D_MRHI: 6.21, BCUTdv-1h: 6.02, BCUTse-1l: 2.43, BCUT2D_MWHI: 16.17), decide if it is mutagenic. Reply only Yes or No.	No	65
O=C(O)CCCOc1ccc(Cl)cc1Cl	Assess mutagenicity for SMILES O=C(O)CCCOc1ccc(Cl)cc1Cl. Feature values: BCUTs-1l=1.30; BCUTi-1h=13.64; MinEStateIndex=-0.83; BCUTse-1l=2.44; qed=0.81. Output: Yes or No.	No	66
Cc1cccc(C(=O)O)c1[N+](=O)[O-]	SMILES: Cc1cccc(C(=O)O)c1[N+](=O)[O-]. Using these properties — BalabanJ=3.43, BCUT2D_MRHI=5.92, MinAbsPartialCharge=0.34, BCUTdv-1h=7.00, BCUTi-1h=14.59 — is the compound mutagenic? Answer Yes or No.	Yes	67
CCCC=O	For molecule CCCC=O, with properties ATSC2pe=-0.17, BCUTi-1h=13.64, MinEStateIndex=0.71, BCUT2D_MWLOW=10.38, BCUTse-1l=2.57, is it mutagenic? Answer strictly Yes or No.	No	68
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1	Given the molecule Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 and its features (qed: 0.79, BCUT2D_MWHI: 32.13, RPCG: 0.09, BCUT2D_MRHI: 7.09, BCUTse-1l: 2.49), decide if it is mutagenic. Reply only Yes or No.	No	69
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Given the drug CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O and this set of features from the molecule (MaxAbsPartialCharge: 0.50, BalabanJ: 3.48, BCUT2D_MWLOW: 9.96, BCUTi-1h: 14.60, BCUTdv-1h: 7.01), decide if it is mutagenic. Reply only Yes or No.	No	70
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21	Given the molecule O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21 and its features (BCUT2D_MRHI: 6.33, BCUT2D_MWLOW: 9.81, ATSC2pe: -1.44, MaxAbsPartialCharge: 0.51, BCUTse-1l: 2.42), decide if it is mutagenic. Reply only Yes or No.	Yes	71
CC(=O)Nc1ccc2c3c(cccc13)-c1cc(O)ccc1-2	Given the molecule CC(=O)Nc1ccc2c3c(cccc13)-c1cc(O)ccc1-2 and its features (BCUT2D_MWHI: 16.25, BCUTs-1h: 7.01, BCUT2D_MRHI: 6.19, BalabanJ: 2.08, BCUTse-1l: 2.40), decide if it is mutagenic. Reply only Yes or No.	Yes	72
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F	For molecule O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F, with properties BCUT2D_MWHI=19.41, BCUTdv-1h=7.01, AvgIpc=2.68, BCUTi-1h=17.43, MinEStateIndex=-4.92, is it mutagenic? Answer strictly Yes or No.	Yes	73
CC(C)(C)C(Br)C(=O)Nc1ccccc1	For molecule CC(C)(C)C(Br)C(=O)Nc1ccccc1, with properties BCUT2D_MRHI=9.10, MATS2pe=0.22, BCUT2D_MWLOW=9.92, qed=0.82, BCUT2D_MWHI=79.92, is it mutagenic? Answer strictly Yes or No.	No	74
COc1ccc2c(CBr)cc(=O)oc2c1	Given the molecule COc1ccc2c(CBr)cc(=O)oc2c1 and its features (MATS2pe: 0.01, AATSC1c: -0.01, MinEStateIndex: -0.34, BCUT2D_MWHI: 79.92, MinAbsPartialCharge: 0.34), decide if it is mutagenic. Reply only Yes or No.	No	75
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Given the drug Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O and this set of features from the molecule (qed: 0.31, BalabanJ: 3.43, MaxAbsPartialCharge: 0.50, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.	Yes	76
c1ccc(OCC2CO2)cc1	Assess mutagenicity for SMILES c1ccc(OCC2CO2)cc1. Feature values: BCUT2D_MWHI=16.60; BCUTs-1l=1.25; ATSC2pe=-1.14; AvgIpc=2.86; MATS2pe=-0.26. Output: Yes or No.	Yes	77
C=C(C)C(=O)OCCC	Given the molecule C=C(C)C(=O)OCCC and its features (BCUT2D_MWHI: 16.53, AATSC1c: -0.01, BalabanJ: 3.39, ATSC2pe: 1.07, BCUTi-1h: 13.64), decide if it is mutagenic. Reply only Yes or No.	No	78
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1	Assess mutagenicity for SMILES CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1. Feature values: BCUT2D_MWHI=15.06; BCUT2D_MRLOW=1.13; MinEStateIndex=1.04; RPCG=0.06; BCUTse-1l=2.40. Output: Yes or No.	Yes	79
CSCC(NC(=O)C(C)(C)SC)C(=O)O	For molecule CSCC(NC(=O)C(C)(C)SC)C(=O)O, with properties BCUTi-1l=10.34, BCUTi-1h=14.54, ATSC2pe=2.22, BCUT2D_MWHI=32.17, qed=0.74, is it mutagenic? Answer strictly Yes or No.	No	80
CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC	SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC. Using these properties — ATSC2pe=1.65, BalabanJ=3.56, BCUT2D_MWLOW=10.00, BCUTi-1h=13.64, BCUTse-1l=2.55 — is the compound mutagenic? Answer Yes or No.	No	81
C=CC(=O)OCC(C)(C)C	For molecule C=CC(=O)OCC(C)(C)C, with properties BCUT2D_MWLOW=9.99, MaxAbsPartialCharge=0.46, ATSC2pe=1.23, BCUTi-1h=13.64, BalabanJ=3.55, is it mutagenic? Answer strictly Yes or No.	No	82
O=C(Cl)c1cccc([N+](=O)[O-])c1	SMILES: O=C(Cl)c1cccc([N+](=O)[O-])c1. Using these properties — BalabanJ=3.12, BCUT2D_MRHI=6.67, BCUT2D_MRLOW=-0.38, BCUTdv-1h=7.00, BCUTi-1h=14.59 — is the compound mutagenic? Answer Yes or No.	Yes	83
C=Cc1ccccc1Cl	Given the drug C=Cc1ccccc1Cl and this set of features from the molecule (BCUTse-1l: 2.43, MinEStateIndex: 0.76, BalabanJ: 3.15, AATSC1c: -0.00, BCUTi-1h: 12.97), decide if it is mutagenic. Reply only Yes or No.	No	84
Cc1cnc(S)nc1O	Assess mutagenicity for SMILES Cc1cnc(S)nc1O. Feature values: BCUTdv-1h=5.06; BCUT2D_MWLOW=10.38; BCUTse-1h=3.67; MATS2pe=0.31; BCUTi-1h=14.56. Output: Yes or No.	No	85
CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC	SMILES: CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC. Using these properties — BCUTi-1h=13.65, BCUTs-1l=0.25, VSA_EState5=-4.19, MinEStateIndex=-3.07, BCUTi-1l=10.26 — is the compound mutagenic? Answer Yes or No.	No	86
O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	For molecule O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1, with properties AvgIpc=2.92, BCUT2D_MWLOW=10.39, BCUT2D_MRLOW=-0.40, BCUTdv-1h=7.00, BCUTi-1h=14.64, is it mutagenic? Answer strictly Yes or No.	Yes	87
O=C(OCc1ccccc1)c1ccccc1O	Assess mutagenicity for SMILES O=C(OCc1ccccc1)c1ccccc1O. Feature values: MaxAbsPartialCharge=0.51; qed=0.82; BCUTse-1l=2.44; BCUTi-1h=13.64; MinAbsPartialCharge=0.34. Output: Yes or No.	No	88
O=[N+]([O-])c1ccc2c[nH]nc2c1	For molecule O=[N+]([O-])c1ccc2c[nH]nc2c1, with properties MinEStateIndex=-0.44, BCUTse-1l=2.42, BCUT2D_MRLOW=-0.38, BCUTdv-1h=7.00, BCUTi-1h=14.69, is it mutagenic? Answer strictly Yes or No.	Yes	89
c1ccc(C(c2ccccc2)c2ccccc2)cc1	For molecule c1ccc(C(c2ccccc2)c2ccccc2)cc1, with properties BCUT2D_MWLOW=9.85, RPCG=0.06, BCUT2D_MWHI=14.18, BCUT2D_MRLOW=0.98, BCUTi-1h=11.60, is it mutagenic? Answer strictly Yes or No.	No	90
O=C1CCc2c1ccc1c2ccc2ccccc21	Given the molecule O=C1CCc2c1ccc1c2ccc2ccccc21 and its features (AvgIpc: 2.80, BCUTs-1h: 7.01, BalabanJ: 2.20, BCUTi-1h: 13.64, BCUTse-1l: 2.38), decide if it is mutagenic. Reply only Yes or No.	Yes	91
O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1	Given the molecule O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1 and its features (AvgIpc: 2.86, BCUTse-1l: 2.43, BCUT2D_MRLOW: -0.40, BCUTdv-1h: 7.00, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.	Yes	92
N=C(N)c1ccc2c(N)c(C(=N)N)[nH]c2c1	SMILES: N=C(N)c1ccc2c(N)c(C(=N)N)[nH]c2c1. Using these properties — BCUTs-1l=1.39, qed=0.32, BCUTi-1h=14.56, BCUTse-1h=3.31, MinEStateIndex=-0.11 — is the compound mutagenic? Answer Yes or No.	No	93
O=C(/N=c1\sn(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-]	Given the drug O=C(/N=c1\sn(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-] and this set of features from the molecule (BCUTse-1l: 2.42, RPCG: 0.10, AvgIpc: 3.20, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.	Yes	94
C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	SMILES: C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1. Using these properties — BalabanJ=1.85, MaxAbsPartialCharge=0.51, BCUT2D_MWLOW=10.03, BCUTse-1l=2.43, BCUT2D_MWHI=16.27 — is the compound mutagenic? Answer Yes or No.	No	95
CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2	Given the molecule CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2 and its features (AvgIpc: 3.02, BCUTse-1h: 3.67, BalabanJ: 1.86, BCUTs-1h: 6.00, BCUTse-1l: 2.41), decide if it is mutagenic. Reply only Yes or No.	Yes	96
COC(=O)c1ccccc1N	SMILES: COC(=O)c1ccccc1N. Using these properties — MaxAbsPartialCharge=0.47, AATSC1c=-0.02, BCUT2D_MRLOW=0.06, RPCG=0.26, MinAbsPartialCharge=0.34 — is the compound mutagenic? Answer Yes or No.	No	97
CCCCCNc1snc2ccccc12	For molecule CCCCCNc1snc2ccccc12, with properties BalabanJ=2.02, BCUTse-1h=3.32, BCUTse-1l=2.42, BCUTs-1h=3.03, qed=0.77, is it mutagenic? Answer strictly Yes or No.	No	98
CC1OC1C	Assess mutagenicity for SMILES CC1OC1C. Feature values: BCUT2D_MWHI=16.59; BCUTs-1h=3.51; ATSC2pe=-0.12; BCUTse-1l=2.58; BCUT2D_MWLOW=10.39. Output: Yes or No.	Yes	99

Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3

Given the drug Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3 and this set of features from the molecule (BCUT2D_MWLOW: 9.85, BCUTdv-1h: 6.11, BCUT2D_MWHI: 17.29, AATSC1c: -0.01, qed: 0.54), decide if it is mutagenic. Reply only Yes or No.

Yes

0

CN(CC(O)CO)N=O

Assess mutagenicity for SMILES CN(CC(O)CO)N=O. Feature values: BCUT2D_MRLOW=0.07; BCUTdv-1h=6.04; BCUT2D_MWLOW=10.37; BCUTs-1h=7.01; BCUTi-1h=14.66. Output: Yes or No.

Yes

1

O=[N+]([O-])c1ccc(OC2CO2)cc1

For molecule O=[N+]([O-])c1ccc(OC2CO2)cc1, with properties BCUT2D_MWLOW=10.29, BCUT2D_MWHI=16.76, BCUTdv-1h=7.00, BCUT2D_MRLOW=-0.38, BCUTi-1h=14.59, is it mutagenic? Answer strictly Yes or No.

Yes

2

CC[C@H](CO)NCCN[C@H](CC)CO

Assess mutagenicity for SMILES CC[C@H](CO)NCCN[C@H](CC)CO. Feature values: BCUTdv-1h=5.01; BCUT2D_MRHI=4.67; BCUT2D_MWHI=16.25; BCUTse-1l=2.57; ATSC2pe=-1.07. Output: Yes or No.

No

3

CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1

Assess mutagenicity for SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1. Feature values: BCUTse-1l=2.43; BCUTi-1h=17.43; qed=0.75; MATS2pe=0.39; MinEStateIndex=-4.61. Output: Yes or No.

No

4

Cc1ccc2c(ccc3ccccc32)c1

For molecule Cc1ccc2c(ccc3ccccc32)c1, with properties BCUT2D_MWHI=14.03, BCUTi-1h=11.64, BCUT2D_MRLOW=1.51, MinEStateIndex=1.31, BCUTse-1l=2.38, is it mutagenic? Answer strictly Yes or No.

Yes

5

OC[PH](CO)(CO)CO

Assess mutagenicity for SMILES OC[PH](CO)(CO)CO. Feature values: BCUT2D_MWHI=nan; AATSC1c=nan; BCUT2D_MRLOW=nan; BCUT2D_MRHI=nan; BalabanJ=3.82. Output: Yes or No.

No

6

C/C=C/c1ccc(OC)cc1

Given the molecule C/C=C/c1ccc(OC)cc1 and its features (MinEStateIndex: 0.90, RPCG: 0.14, BCUTs-1l: 1.52, BCUTse-1l: 2.43, BCUTi-1h: 13.63), decide if it is mutagenic. Reply only Yes or No.

No

7

c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31

Given the drug c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31 and this set of features from the molecule (MinAbsPartialCharge: 0.05, MaxAbsPartialCharge: 0.30, BCUT2D_MWLOW: 9.78, MinEStateIndex: 0.50, BCUTse-1l: 2.41), decide if it is mutagenic. Reply only Yes or No.

Yes

8

COc1nsc2cccc([N+](=O)[O-])c12

Given the drug COc1nsc2cccc([N+](=O)[O-])c12 and this set of features from the molecule (BCUTse-1h: 3.76, BCUT2D_MRHI: 7.13, BCUT2D_MRLOW: -0.38, BCUTdv-1h: 7.00, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.

Yes

9

CC(C)=CCC1CCCC1=O

Given the molecule CC(C)=CCC1CCCC1=O and its features (BCUT2D_MWLOW: 10.02, BCUT2D_MWHI: 16.14, BCUTi-1h: 13.64, AATSC1c: -0.00, BCUTse-1l: 2.48), decide if it is mutagenic. Reply only Yes or No.

No

10

Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1

SMILES: Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1. Using these properties — MATS2pe=0.07, VSA_EState5=2.83, MinEStateIndex=0.69, BCUTse-1l=2.44, AATSC1c=-0.01 — is the compound mutagenic? Answer Yes or No.

Yes

11

CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC

Given the molecule CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC and its features (BCUTs-1h: 7.01, BCUTse-1l: 2.55, BCUTi-1h: 13.64, BCUT2D_MWLOW: 10.07, BalabanJ: 3.27), decide if it is mutagenic. Reply only Yes or No.

No

12

OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O

SMILES: OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O. Using these properties — AATSC1c=-0.02, MinEStateIndex=-1.94, BCUT2D_MWLOW=9.76, BCUT2D_MRHI=5.05, RPCG=0.07 — is the compound mutagenic? Answer Yes or No.

No

13

CCOC(=O)N(CC)N=O

SMILES: CCOC(=O)N(CC)N=O. Using these properties — MinAbsPartialCharge=0.43, BCUTse-1h=3.74, BCUTs-1h=7.01, BCUTse-1l=2.62, BCUTi-1h=14.66 — is the compound mutagenic? Answer Yes or No.

Yes

14

CCCCCCN(N=O)C(N)=O

Assess mutagenicity for SMILES CCCCCCN(N=O)C(N)=O. Feature values: BalabanJ=3.45; BCUTse-1h=3.74; BCUTdv-1h=6.04; BCUTs-1h=7.01; BCUTi-1h=14.66. Output: Yes or No.

Yes

15

O=C(C(=O)c1ccccc1)c1ccccc1

Assess mutagenicity for SMILES O=C(C(=O)c1ccccc1)c1ccccc1. Feature values: BCUT2D_MRLOW=0.08; BCUTdv-1h=6.02; BCUTi-1h=13.64; BCUTse-1l=2.44; BCUT2D_MWHI=16.17. Output: Yes or No.

No

16

Cc1ccccc1OCC1CO1

Given the molecule Cc1ccccc1OCC1CO1 and its features (RPCG: 0.11, BCUT2D_MWHI: 16.60, AvgIpc: 2.86, ATSC2pe: -0.85, BCUTs-1l: 1.25), decide if it is mutagenic. Reply only Yes or No.

Yes

17

Oc1c(Cl)cccc1Cl

Given the drug Oc1c(Cl)cccc1Cl and this set of features from the molecule (BCUTse-1l: 2.44, BalabanJ: 3.25, BCUTs-1l: 1.29, qed: 0.62, BCUTi-1h: 13.62), decide if it is mutagenic. Reply only Yes or No.

No

18

Nc1ccccc1SCSc1ccccc1N

Assess mutagenicity for SMILES Nc1ccccc1SCSc1ccccc1N. Feature values: BCUTs-1l=0.62; RPCG=0.11; BCUTse-1l=2.44; BCUTse-1h=3.23; MinEStateIndex=0.83. Output: Yes or No.

Yes

19

Cc1ccncc1

SMILES: Cc1ccncc1. Using these properties — MinAbsPartialCharge=0.03, BCUT2D_MWHI=14.60, AATSC1c=-0.00, BCUT2D_MRHI=5.05, MinEStateIndex=1.26 — is the compound mutagenic? Answer Yes or No.

No

20

CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C

Given the drug CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C and this set of features from the molecule (MATS2pe: 0.27, AATSC1c: -0.01, MaxAbsPartialCharge: 0.46, BCUT2D_MWHI: 17.29, BCUTdv-1h: 6.11), decide if it is mutagenic. Reply only Yes or No.

Yes

21

Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2

Given the molecule Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 and its features (BCUTse-1l: 2.42, BCUTse-1h: 3.76, BCUTdv-1h: 7.00, BCUT2D_MRLOW: -0.38, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.

Yes

22

c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21

SMILES: c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21. Using these properties — BCUT2D_MRHI=5.95, BalabanJ=1.94, MinEStateIndex=0.51, AvgIpc=3.27, BCUTse-1l=2.39 — is the compound mutagenic? Answer Yes or No.

Yes

23

c1ccc(C2NC2c2ccccc2)cc1

SMILES: c1ccc(C2NC2c2ccccc2)cc1. Using these properties — BCUTse-1l=2.44, BCUT2D_MRHI=5.33, BCUT2D_MRLOW=1.03, AvgIpc=3.11, MATS2pe=-0.22 — is the compound mutagenic? Answer Yes or No.

Yes

24

Cc1ccc2ccccc2c1[N+](=O)[O-]

Assess mutagenicity for SMILES Cc1ccc2ccccc2c1[N+](=O)[O-]. Feature values: MinAbsPartialCharge=0.26; BCUT2D_MRLOW=-0.38; BCUT2D_MRHI=5.92; BCUTse-1l=2.40; BCUTi-1h=14.59. Output: Yes or No.

Yes

25

O=C1NC(=O)[C@@H]2CC=CC[C@H]12

Given the drug O=C1NC(=O)[C@@H]2CC=CC[C@H]12 and this set of features from the molecule (BCUTs-1l: 1.18, BCUTi-1h: 14.54, MATS2pe: 0.19, BCUTse-1l: 2.49, BCUT2D_MWHI: 16.17), decide if it is mutagenic. Reply only Yes or No.

No

26

COc1ccc(CNC(=O)C(C)Br)cc1

For molecule COc1ccc(CNC(=O)C(C)Br)cc1, with properties RPCG=0.16, MATS2pe=-0.01, qed=0.85, BCUTse-1l=2.44, BCUT2D_MWHI=79.92, is it mutagenic? Answer strictly Yes or No.

Yes

27

ClCc1cccc(CCl)c1

Given the drug ClCc1cccc(CCl)c1 and this set of features from the molecule (MinAbsPartialCharge: 0.05, BalabanJ: 2.87, BCUTse-1l: 2.44, AATSC1c: -0.00, BCUTi-1h: 12.98), decide if it is mutagenic. Reply only Yes or No.

No

28

CC1=CC[C@H]2C[C@@H]1C2(C)C

Given the molecule CC1=CC[C@H]2C[C@@H]1C2(C)C and its features (AATSC1c: -0.00, MinAbsPartialCharge: 0.01, BCUTse-1l: 2.46, BCUTi-1h: 11.55, BCUT2D_MWLOW: 9.49), decide if it is mutagenic. Reply only Yes or No.

No

29

CCCCN(N=O)/C(C=O)=N/O

Given the drug CCCCN(N=O)/C(C=O)=N/O and this set of features from the molecule (qed: 0.17, AvgIpc: 2.12, BCUTse-1h: 3.74, BCUTs-1h: 7.01, BCUTi-1h: 14.66), decide if it is mutagenic. Reply only Yes or No.

Yes

30

Cc1ccc(NN=NCc2ccccc2)cc1

For molecule Cc1ccc(NN=NCc2ccccc2)cc1, with properties BCUT2D_MWHI=15.41, AATSC1c=-0.00, BCUTdv-1h=5.21, MinEStateIndex=0.60, BCUTi-1h=14.76, is it mutagenic? Answer strictly Yes or No.

Yes

31

Cc1c2ccccc2c(CO)c2ccccc12

For molecule Cc1c2ccccc2c(CO)c2ccccc12, with properties BCUT2D_MRLOW=0.28, BCUTdv-1h=5.00, BCUT2D_MRHI=6.05, BCUTi-1h=13.62, BCUTse-1l=2.38, is it mutagenic? Answer strictly Yes or No.

Yes

32

CC(=O)c1ccccc1

SMILES: CC(=O)c1ccccc1. Using these properties — BalabanJ=2.98, VSA_EState5=0.12, AvgIpc=1.90, BCUT2D_MWHI=16.14, BCUTi-1h=13.64 — is the compound mutagenic? Answer Yes or No.

No

33

CN(C)CCOC(c1ccccc1)c1ccccc1

SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1. Using these properties — ATSC2pe=-1.08, BCUT2D_MRHI=5.29, AATSC1c=-0.00, BCUTse-1l=2.43, MATS2pe=-0.23 — is the compound mutagenic? Answer Yes or No.

No

34

O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4

For molecule O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4, with properties BCUTi-1h=14.59, BCUT2D_MRLOW=-0.38, BCUT2D_MWLOW=9.84, BCUTse-1l=2.37, BCUTdv-1h=7.00, is it mutagenic? Answer strictly Yes or No.

Yes

35

O=[N+]([O-])C(Cl)(Cl)Cl

Given the molecule O=[N+]([O-])C(Cl)(Cl)Cl and its features (BCUTi-1h: 14.59, BalabanJ: 3.79, MinEStateIndex: -2.36, AvgIpc: 1.31, RPCG: 0.85), decide if it is mutagenic. Reply only Yes or No.

Yes

36

COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl

Assess mutagenicity for SMILES COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl. Feature values: BCUTs-1l=1.25; BCUTdv-1h=7.00; BCUT2D_MRLOW=-0.39; BCUT2D_MWLOW=10.36; BCUTi-1h=14.60. Output: Yes or No.

Yes

37

CC(=O)Nc1ccc2ccccc2n1

SMILES: CC(=O)Nc1ccc2ccccc2n1. Using these properties — ATSC2pe=1.07, BCUTse-1l=2.42, MaxAbsPartialCharge=0.31, BCUT2D_MRHI=5.89, qed=0.74 — is the compound mutagenic? Answer Yes or No.

No

38

C=C(C)C=O

Given the molecule C=C(C)C=O and its features (RPCG: 0.32, AvgIpc: 1.38, BCUT2D_MWLOW: 10.41, MaxAbsPartialCharge: 0.30, qed: 0.33), decide if it is mutagenic. Reply only Yes or No.

Yes

39

O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1

SMILES: O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1. Using these properties — BCUTs-1h=8.00, BalabanJ=3.27, BCUT2D_MWHI=126.91, BCUTi-1h=14.60, BCUTdv-1h=7.01 — is the compound mutagenic? Answer Yes or No.

Yes

40

O=[N+]([O-])c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1O2

Given the drug O=[N+]([O-])c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1O2 and this set of features from the molecule (RPCG: 0.14, MATS2pe: 0.09, BCUTse-1h: 3.76, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.

Yes

41

CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1

Given the drug CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1 and this set of features from the molecule (BCUTdv-1h: 6.03, qed: 0.64, MaxAbsPartialCharge: 0.51, BCUTse-1l: 2.43, MinAbsPartialCharge: 0.34), decide if it is mutagenic. Reply only Yes or No.

No

42

CC(C)CNc1snc2ccccc12

For molecule CC(C)CNc1snc2ccccc12, with properties BCUTse-1h=3.32, BCUTse-1l=2.42, MinEStateIndex=0.66, BCUTs-1h=3.03, qed=0.83, is it mutagenic? Answer strictly Yes or No.

No

43

Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O

Given the molecule Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O and its features (BCUT2D_MRHI: 6.50, BCUT2D_MWHI: 16.17, MinAbsPartialCharge: 0.23, BCUTdv-1h: 6.02, BCUTse-1l: 2.38), decide if it is mutagenic. Reply only Yes or No.

Yes

44

CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C

Given the drug CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C and this set of features from the molecule (BCUTdv-1h: 6.11, BCUT2D_MWLOW: 9.94, BCUT2D_MRHI: 4.75, AATSC1c: -0.00, BalabanJ: 4.23), decide if it is mutagenic. Reply only Yes or No.

No

45

Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1

Given the molecule Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1 and its features (BCUT2D_MRLOW: 1.21, BCUTse-1l: 2.44, MATS2pe: 0.09, RPCG: 0.06, BCUTi-1h: 14.74), decide if it is mutagenic. Reply only Yes or No.

Yes

46

OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1

Given the molecule OC(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1 and its features (AvgIpc: 3.07, BCUTse-1l: 2.43, BCUT2D_MWHI: 16.27, BalabanJ: 1.58, BCUT2D_MRHI: 5.25), decide if it is mutagenic. Reply only Yes or No.

No

47

O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O

Given the drug O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O and this set of features from the molecule (qed: 0.80, MinEStateIndex: -1.13, VSA_EState5: -2.23, MaxAbsPartialCharge: 0.48, BCUTse-1l: 2.43), decide if it is mutagenic. Reply only Yes or No.

No

48

CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1

Assess mutagenicity for SMILES CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1. Feature values: AvgIpc=2.75; BCUT2D_MRHI=7.91; BCUT2D_MRLOW=-0.40; BCUTdv-1h=7.00; BCUTi-1h=14.64. Output: Yes or No.

Yes

49

O=[N+]([O-])c1ccc(C2OCC3(CO)COC(c4ccc([N+](=O)[O-])cc4)N23)cc1

For molecule O=[N+]([O-])c1ccc(C2OCC3(CO)COC(c4ccc([N+](=O)[O-])cc4)N23)cc1, with properties BalabanJ=1.67, BCUT2D_MRHI=5.36, BCUTi-1h=14.60, BCUTdv-1h=7.01, AvgIpc=3.26, is it mutagenic? Answer strictly Yes or No.

Yes

50

CCOP(=S)(OCC(C)C)SCCl

Given the drug CCOP(=S)(OCC(C)C)SCCl and this set of features from the molecule (BCUTs-1l: 0.24, AATSC1c: -0.01, MinEStateIndex: -2.16, BCUT2D_MWHI: 35.50, BalabanJ: 3.99), decide if it is mutagenic. Reply only Yes or No.

No

51

CNC1=C2CC(=O)C(OC)=CC=C2c2c(cc(OC)c(OC)c2OC)CC1

For molecule CNC1=C2CC(=O)C(OC)=CC=C2c2c(cc(OC)c(OC)c2OC)CC1, with properties BCUT2D_MRHI=6.02, BCUT2D_MRLOW=-0.12, BCUTse-1l=2.42, qed=0.86, RPCG=0.07, is it mutagenic? Answer strictly Yes or No.

No

52

CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c1ccccc1

Given the molecule CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c1ccccc1 and its features (BalabanJ: 2.07, BCUT2D_MRHI: 9.10, BCUT2D_MRLOW: -0.31, VSA_EState5: -1.19, BCUTs-1h: 7.01), decide if it is mutagenic. Reply only Yes or No.

Yes

53

c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12

SMILES: c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12. Using these properties — MinAbsPartialCharge=0.00, BCUT2D_MRLOW=1.73, qed=0.33, MinEStateIndex=1.32, BCUTse-1l=2.40 — is the compound mutagenic? Answer Yes or No.

Yes

54

O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23

Assess mutagenicity for SMILES O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23. Feature values: BCUTi-1h=13.65; qed=0.22; VSA_EState5=-2.75; MinAbsPartialCharge=0.34; BCUTse-1l=2.38. Output: Yes or No.

No

55

ClC(Cl)(Cl)[C@@H]1CO1

For molecule ClC(Cl)(Cl)[C@@H]1CO1, with properties BCUTi-1l=11.11, ATSC2pe=-0.23, qed=0.39, BCUT2D_MWHI=35.58, BCUT2D_MWLOW=10.56, is it mutagenic? Answer strictly Yes or No.

Yes

56

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC. Using these properties — AvgIpc=2.49, MaxAbsPartialCharge=0.49, AATSC1c=-0.02, BCUTse-1l=2.44, qed=0.85 — is the compound mutagenic? Answer Yes or No.

No

57

CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12

Given the drug CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 and this set of features from the molecule (BCUT2D_MWLOW: 9.97, ATSC2pe: -0.60, BCUTi-1h: 14.54, AvgIpc: 3.27, BalabanJ: 1.42), decide if it is mutagenic. Reply only Yes or No.

No

58

CCCCSCCC(N)C(=O)O

For molecule CCCCSCCC(N)C(=O)O, with properties BCUTs-1h=7.01, AATSC1c=-0.02, BCUT2D_MWHI=32.17, ATSC2pe=1.06, MaxAbsPartialCharge=0.48, is it mutagenic? Answer strictly Yes or No.

No

59

Clc1cc(Cl)c(Cl)c(Cl)c1Cl

SMILES: Clc1cc(Cl)c(Cl)c(Cl)c1Cl. Using these properties — MaxAbsPartialCharge=0.08, AATSC1c=-0.00, BCUTi-1h=12.98, BCUTs-1h=2.12, BalabanJ=3.46 — is the compound mutagenic? Answer Yes or No.

No

60

CC(N)C(O)c1ccccc1

Given the molecule CC(N)C(O)c1ccccc1 and its features (BCUTi-1h: 14.54, ATSC2pe: -0.14, BCUTse-1l: 2.44, BCUT2D_MWHI: 16.27, BCUT2D_MRHI: 5.18), decide if it is mutagenic. Reply only Yes or No.

No

61

Clc1ccccc1

Given the drug Clc1ccccc1 and this set of features from the molecule (BCUTs-1h: 2.28, AvgIpc: 1.69, MinEStateIndex: 0.79, AATSC1c: -0.00, BCUTi-1h: 12.97), decide if it is mutagenic. Reply only Yes or No.

No

62

NP(=O)(OCCC(=O)O)N(CCCl)CCCl

Given the molecule NP(=O)(OCCC(=O)O)N(CCCl)CCCl and its features (BCUT2D_MRHI: 7.53, BalabanJ: 4.23, AATSC1c: -0.03, BCUT2D_MWHI: 35.50, BCUT2D_MWLOW: 10.48), decide if it is mutagenic. Reply only Yes or No.

Yes

63

CCCCN(N)CCCC

Assess mutagenicity for SMILES CCCCN(N)CCCC. Feature values: BCUT2D_MRHI=4.47; BCUTse-1l=2.58; AATSC1c=-0.00; MinAbsPartialCharge=0.01; BCUTi-1h=14.65. Output: Yes or No.

No

64

O=C1NC(=O)c2ccccc21

Given the drug O=C1NC(=O)c2ccccc21 and this set of features from the molecule (AvgIpc: 2.30, BCUT2D_MRHI: 6.21, BCUTdv-1h: 6.02, BCUTse-1l: 2.43, BCUT2D_MWHI: 16.17), decide if it is mutagenic. Reply only Yes or No.

No

65

O=C(O)CCCOc1ccc(Cl)cc1Cl

Assess mutagenicity for SMILES O=C(O)CCCOc1ccc(Cl)cc1Cl. Feature values: BCUTs-1l=1.30; BCUTi-1h=13.64; MinEStateIndex=-0.83; BCUTse-1l=2.44; qed=0.81. Output: Yes or No.

No

66

Cc1cccc(C(=O)O)c1[N+](=O)[O-]

SMILES: Cc1cccc(C(=O)O)c1[N+](=O)[O-]. Using these properties — BalabanJ=3.43, BCUT2D_MRHI=5.92, MinAbsPartialCharge=0.34, BCUTdv-1h=7.00, BCUTi-1h=14.59 — is the compound mutagenic? Answer Yes or No.

Yes

67

CCCC=O

For molecule CCCC=O, with properties ATSC2pe=-0.17, BCUTi-1h=13.64, MinEStateIndex=0.71, BCUT2D_MWLOW=10.38, BCUTse-1l=2.57, is it mutagenic? Answer strictly Yes or No.

No

68

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1

Given the molecule Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 and its features (qed: 0.79, BCUT2D_MWHI: 32.13, RPCG: 0.09, BCUT2D_MRHI: 7.09, BCUTse-1l: 2.49), decide if it is mutagenic. Reply only Yes or No.

No

69

CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

Given the drug CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O and this set of features from the molecule (MaxAbsPartialCharge: 0.50, BalabanJ: 3.48, BCUT2D_MWLOW: 9.96, BCUTi-1h: 14.60, BCUTdv-1h: 7.01), decide if it is mutagenic. Reply only Yes or No.

No

70

O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21

Given the molecule O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21 and its features (BCUT2D_MRHI: 6.33, BCUT2D_MWLOW: 9.81, ATSC2pe: -1.44, MaxAbsPartialCharge: 0.51, BCUTse-1l: 2.42), decide if it is mutagenic. Reply only Yes or No.

Yes

71

CC(=O)Nc1ccc2c3c(cccc13)-c1cc(O)ccc1-2

Given the molecule CC(=O)Nc1ccc2c3c(cccc13)-c1cc(O)ccc1-2 and its features (BCUT2D_MWHI: 16.25, BCUTs-1h: 7.01, BCUT2D_MRHI: 6.19, BalabanJ: 2.08, BCUTse-1l: 2.40), decide if it is mutagenic. Reply only Yes or No.

Yes

72

O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F

For molecule O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F, with properties BCUT2D_MWHI=19.41, BCUTdv-1h=7.01, AvgIpc=2.68, BCUTi-1h=17.43, MinEStateIndex=-4.92, is it mutagenic? Answer strictly Yes or No.

Yes

73

CC(C)(C)C(Br)C(=O)Nc1ccccc1

For molecule CC(C)(C)C(Br)C(=O)Nc1ccccc1, with properties BCUT2D_MRHI=9.10, MATS2pe=0.22, BCUT2D_MWLOW=9.92, qed=0.82, BCUT2D_MWHI=79.92, is it mutagenic? Answer strictly Yes or No.

No

74

COc1ccc2c(CBr)cc(=O)oc2c1

Given the molecule COc1ccc2c(CBr)cc(=O)oc2c1 and its features (MATS2pe: 0.01, AATSC1c: -0.01, MinEStateIndex: -0.34, BCUT2D_MWHI: 79.92, MinAbsPartialCharge: 0.34), decide if it is mutagenic. Reply only Yes or No.

No

75

Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

Given the drug Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O and this set of features from the molecule (qed: 0.31, BalabanJ: 3.43, MaxAbsPartialCharge: 0.50, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.

Yes

76

c1ccc(OCC2CO2)cc1

Assess mutagenicity for SMILES c1ccc(OCC2CO2)cc1. Feature values: BCUT2D_MWHI=16.60; BCUTs-1l=1.25; ATSC2pe=-1.14; AvgIpc=2.86; MATS2pe=-0.26. Output: Yes or No.

Yes

77

C=C(C)C(=O)OCCC

Given the molecule C=C(C)C(=O)OCCC and its features (BCUT2D_MWHI: 16.53, AATSC1c: -0.01, BalabanJ: 3.39, ATSC2pe: 1.07, BCUTi-1h: 13.64), decide if it is mutagenic. Reply only Yes or No.

No

78

CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1

Assess mutagenicity for SMILES CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1. Feature values: BCUT2D_MWHI=15.06; BCUT2D_MRLOW=1.13; MinEStateIndex=1.04; RPCG=0.06; BCUTse-1l=2.40. Output: Yes or No.

Yes

79

CSCC(NC(=O)C(C)(C)SC)C(=O)O

For molecule CSCC(NC(=O)C(C)(C)SC)C(=O)O, with properties BCUTi-1l=10.34, BCUTi-1h=14.54, ATSC2pe=2.22, BCUT2D_MWHI=32.17, qed=0.74, is it mutagenic? Answer strictly Yes or No.

No

80

CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC. Using these properties — ATSC2pe=1.65, BalabanJ=3.56, BCUT2D_MWLOW=10.00, BCUTi-1h=13.64, BCUTse-1l=2.55 — is the compound mutagenic? Answer Yes or No.

No

81

C=CC(=O)OCC(C)(C)C

For molecule C=CC(=O)OCC(C)(C)C, with properties BCUT2D_MWLOW=9.99, MaxAbsPartialCharge=0.46, ATSC2pe=1.23, BCUTi-1h=13.64, BalabanJ=3.55, is it mutagenic? Answer strictly Yes or No.

No

82

O=C(Cl)c1cccc([N+](=O)[O-])c1

SMILES: O=C(Cl)c1cccc([N+](=O)[O-])c1. Using these properties — BalabanJ=3.12, BCUT2D_MRHI=6.67, BCUT2D_MRLOW=-0.38, BCUTdv-1h=7.00, BCUTi-1h=14.59 — is the compound mutagenic? Answer Yes or No.

Yes

83

C=Cc1ccccc1Cl

Given the drug C=Cc1ccccc1Cl and this set of features from the molecule (BCUTse-1l: 2.43, MinEStateIndex: 0.76, BalabanJ: 3.15, AATSC1c: -0.00, BCUTi-1h: 12.97), decide if it is mutagenic. Reply only Yes or No.

No

84

Cc1cnc(S)nc1O

Assess mutagenicity for SMILES Cc1cnc(S)nc1O. Feature values: BCUTdv-1h=5.06; BCUT2D_MWLOW=10.38; BCUTse-1h=3.67; MATS2pe=0.31; BCUTi-1h=14.56. Output: Yes or No.

No

85

CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC

SMILES: CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC. Using these properties — BCUTi-1h=13.65, BCUTs-1l=0.25, VSA_EState5=-4.19, MinEStateIndex=-3.07, BCUTi-1l=10.26 — is the compound mutagenic? Answer Yes or No.

No

86

O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1

For molecule O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1, with properties AvgIpc=2.92, BCUT2D_MWLOW=10.39, BCUT2D_MRLOW=-0.40, BCUTdv-1h=7.00, BCUTi-1h=14.64, is it mutagenic? Answer strictly Yes or No.

Yes

87

O=C(OCc1ccccc1)c1ccccc1O

Assess mutagenicity for SMILES O=C(OCc1ccccc1)c1ccccc1O. Feature values: MaxAbsPartialCharge=0.51; qed=0.82; BCUTse-1l=2.44; BCUTi-1h=13.64; MinAbsPartialCharge=0.34. Output: Yes or No.

No

88

O=[N+]([O-])c1ccc2c[nH]nc2c1

For molecule O=[N+]([O-])c1ccc2c[nH]nc2c1, with properties MinEStateIndex=-0.44, BCUTse-1l=2.42, BCUT2D_MRLOW=-0.38, BCUTdv-1h=7.00, BCUTi-1h=14.69, is it mutagenic? Answer strictly Yes or No.

Yes

89

c1ccc(C(c2ccccc2)c2ccccc2)cc1

For molecule c1ccc(C(c2ccccc2)c2ccccc2)cc1, with properties BCUT2D_MWLOW=9.85, RPCG=0.06, BCUT2D_MWHI=14.18, BCUT2D_MRLOW=0.98, BCUTi-1h=11.60, is it mutagenic? Answer strictly Yes or No.

No

90

O=C1CCc2c1ccc1c2ccc2ccccc21

Given the molecule O=C1CCc2c1ccc1c2ccc2ccccc21 and its features (AvgIpc: 2.80, BCUTs-1h: 7.01, BalabanJ: 2.20, BCUTi-1h: 13.64, BCUTse-1l: 2.38), decide if it is mutagenic. Reply only Yes or No.

Yes

91

O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1

Given the molecule O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1 and its features (AvgIpc: 2.86, BCUTse-1l: 2.43, BCUT2D_MRLOW: -0.40, BCUTdv-1h: 7.00, BCUTi-1h: 14.59), decide if it is mutagenic. Reply only Yes or No.

Yes

92

N=C(N)c1ccc2c(N)c(C(=N)N)[nH]c2c1

SMILES: N=C(N)c1ccc2c(N)c(C(=N)N)[nH]c2c1. Using these properties — BCUTs-1l=1.39, qed=0.32, BCUTi-1h=14.56, BCUTse-1h=3.31, MinEStateIndex=-0.11 — is the compound mutagenic? Answer Yes or No.

No

93

O=C(/N=c1\sn(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-]

Given the drug O=C(/N=c1\sn(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-] and this set of features from the molecule (BCUTse-1l: 2.42, RPCG: 0.10, AvgIpc: 3.20, BCUTdv-1h: 7.01, BCUTi-1h: 14.60), decide if it is mutagenic. Reply only Yes or No.

Yes

94

C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1

SMILES: C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1. Using these properties — BalabanJ=1.85, MaxAbsPartialCharge=0.51, BCUT2D_MWLOW=10.03, BCUTse-1l=2.43, BCUT2D_MWHI=16.27 — is the compound mutagenic? Answer Yes or No.

No

95

CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2

Given the molecule CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2 and its features (AvgIpc: 3.02, BCUTse-1h: 3.67, BalabanJ: 1.86, BCUTs-1h: 6.00, BCUTse-1l: 2.41), decide if it is mutagenic. Reply only Yes or No.

Yes

96

COC(=O)c1ccccc1N

SMILES: COC(=O)c1ccccc1N. Using these properties — MaxAbsPartialCharge=0.47, AATSC1c=-0.02, BCUT2D_MRLOW=0.06, RPCG=0.26, MinAbsPartialCharge=0.34 — is the compound mutagenic? Answer Yes or No.

No

97

CCCCCNc1snc2ccccc12

For molecule CCCCCNc1snc2ccccc12, with properties BalabanJ=2.02, BCUTse-1h=3.32, BCUTse-1l=2.42, BCUTs-1h=3.03, qed=0.77, is it mutagenic? Answer strictly Yes or No.

No

98

CC1OC1C

Assess mutagenicity for SMILES CC1OC1C. Feature values: BCUT2D_MWHI=16.59; BCUTs-1h=3.51; ATSC2pe=-0.12; BCUTse-1l=2.58; BCUT2D_MWLOW=10.39. Output: Yes or No.

Yes

99