drug stringlengths 11 168 | solution float64 0 1 | problem stringlengths 51 208 | id int64 0 331 |
|---|---|---|---|
COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O | 0 | Does the following compound cause DILI?
COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O | 300 |
CC1NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O.NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC1=O | 0 | Does the following compound cause DILI?
CC1NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O.NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC1=O | 301 |
CCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 1 | Does the following compound cause DILI?
CCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 302 |
CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O | 1 | Does the following compound cause DILI?
CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O | 303 |
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)O)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC1=O | 0 | Does the following compound cause DILI?
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)O)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC1=O | 304 |
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O | 0 | Does the following compound cause DILI?
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O | 305 |
CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O | 1 | Does the following compound cause DILI?
CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O | 306 |
CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21 | 1 | Does the following compound cause DILI?
CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21 | 307 |
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 | 0 | Does the following compound cause DILI?
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 | 308 |
Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1 | 0 | Does the following compound cause DILI?
Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1 | 309 |
CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5 | 0 | Does the following compound cause DILI?
CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5 | 310 |
C=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5 | 0 | Does the following compound cause DILI?
C=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5 | 311 |
CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5 | 0 | Does the following compound cause DILI?
CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5 | 312 |
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5 | 0 | Does the following compound cause DILI?
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5 | 313 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C | 1 | Does the following compound cause DILI?
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C | 314 |
CN(C)NN=C1N=CN=C1C(N)=O | 1 | Does the following compound cause DILI?
CN(C)NN=C1N=CN=C1C(N)=O | 315 |
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1 | 1 | Does the following compound cause DILI?
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1 | 316 |
O=C(O)C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O | 1 | Does the following compound cause DILI?
O=C(O)C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O | 317 |
COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 | 0 | Does the following compound cause DILI?
COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 | 318 |
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CSC12)c1csc(N)n1 | 1 | Does the following compound cause DILI?
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CSC12)c1csc(N)n1 | 319 |
CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O | 1 | Does the following compound cause DILI?
CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O | 320 |
CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O | 1 | Does the following compound cause DILI?
CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O | 321 |
CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)cc3)o2)cc1 | 1 | Does the following compound cause DILI?
CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)cc3)o2)cc1 | 322 |
CC1CN(CC(Cc2ccccc2)C(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1 | 0 | Does the following compound cause DILI?
CC1CN(CC(Cc2ccccc2)C(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1 | 323 |
O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 | 1 | Does the following compound cause DILI?
O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 | 324 |
CCCCCCCCC=CCCCCCCCC(=O)O.NCCO | 0 | Does the following compound cause DILI?
CCCCCCCCC=CCCCCCCCC(=O)O.NCCO | 325 |
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 0 | Does the following compound cause DILI?
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 326 |
NC1CCCCC1N.O=C([O-])C(=O)[O-].[Pt+2] | 1 | Does the following compound cause DILI?
NC1CCCCC1N.O=C([O-])C(=O)[O-].[Pt+2] | 327 |
C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-] | 0 | Does the following compound cause DILI?
C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-] | 328 |
C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C12 | 1 | Does the following compound cause DILI?
C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C12 | 329 |
O=C1OC(C(O)CO)C(O)=C1O | 0 | Does the following compound cause DILI?
O=C1OC(C(O)CO)C(O)=C1O | 330 |
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12 | 1 | Does the following compound cause DILI?
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12 | 331 |
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