drug string | solution int64 | problem string | id int64 |
|---|---|---|---|
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl | 1,400 |
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 | 1,401 |
CC(CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 1,402 |
COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1OC | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1OC | 1,403 |
CN1c2ccccc2C(c2ccccc2Cl)=NCC1(Cl)CO | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN1c2ccccc2C(c2ccccc2Cl)=NCC1(Cl)CO | 1,404 |
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl | 1,405 |
C=CCC(CC)(CC)C(N)=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
C=CCC(CC)(CC)C(N)=O | 1,406 |
CCC(C)C(CC)C(N)=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(C)C(CC)C(N)=O | 1,407 |
CO[C@@H]1O[C@H]2O[C@]3(CN4CCCCC4)[C@@H](O)C[C@@H]([C@H]13)[C@H]2C | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CO[C@@H]1O[C@H]2O[C@]3(CN4CCCCC4)[C@@H](O)C[C@@H]([C@H]13)[C@H]2C | 1,408 |
CCCC(CCC)C(N)=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCC(CCC)C(N)=O | 1,409 |
CC/C=C(\C)C1(CC)C(=O)NC(=O)NC1=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC/C=C(\C)C1(CC)C(=O)NC(=O)NC1=O | 1,410 |
C=CC1CNCCC1CCCc1ccnc2ccc(OC)cc12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
C=CC1CNCCC1CCCc1ccnc2ccc(OC)cc12 | 1,411 |
CCCCCCOc1nsnc1C1=CCCN(C)C1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCCCCOc1nsnc1C1=CCCN(C)C1 | 1,412 |
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 1,413 |
CC1=C2C(c3cccc(Cl)c3)=NCCN=C2N(C)N1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC1=C2C(c3cccc(Cl)c3)=NCCN=C2N(C)N1 | 1,414 |
[N-]=[N+]=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
[N-]=[N+]=O | 1,415 |
O=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O | 1,416 |
C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 1,417 |
CC(Cc1ccccc1)n1cc([N-]C(=O)Nc2ccccc2)[o+]n1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(Cc1ccccc1)n1cc([N-]C(=O)Nc2ccccc2)[o+]n1 | 1,418 |
CCc1c(C)[n+]([NH-])c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCc1c(C)[n+]([NH-])c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc12 | 1,419 |
[N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
[N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 | 1,420 |
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