Datasets:
Sebasdi
/
absorption-pgp-v0

Dataset card Data Studio Files
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1
Drug_ID
string
Drug
string
Y
int64
Eltoprazine
c1cc2c(c(N3CCNCC3)c1)OCCO2
0
Emetine
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21
0
Ethylbenzylaniline
CCN(Cc1ccccc1)c1ccccc1
0
Fenipramide
NC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
0
Fleroxacin
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
0
Gamfexine
CN(C)CC[C@@H](c1ccccc1)C1CCCCC1
0
Homovertrylamine
COc1ccc(CCN)cc1OC
0
Isoxsuprine
C[C@@H](COc1ccccc1)N[C@@H](C)[C@@H](O)c1ccc(O)cc1
0
(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
C[C@H]1NCCc2cc(O)c(O)cc21
0
Levophacetoperane
CC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1
0
3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
NC(=O)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
0
2-(2,2-diphenyl-3,5-diazabicyclo[2.1.0]pent-1(4)-en-5-yl)aceticacid
O=C(O)CN1C2=C1C(c1ccccc1)(c1ccccc1)N2
0
3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanoicacid
O=C(O)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
0
2-[(2R)-2-methyl-5-oxo-4,4-diphenylimidazolidin-1-yl]aceticacid
C[C@@H]1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)O
0
Medrylamine
COc1ccc(C(OCCN(C)C)c2ccccc2)cc1
0
Memotine
COc1ccc(OC2=NCCc3ccccc32)cc1
0
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine
COc1ccc(CC/N=C2\CCCN2C)cc1OC
0
Moclobemide
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
0
N-Benzylbenzamide
O=C(NCc1ccccc1)c1ccccc1
0
N-N-Dibenzylethylene
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1O
0
N-N-DIETHYLCYCLOHEXYL
c1ccc(Nc2cccc3ccccc23)cc1
0
N_N_DIMETHYLBENZYLAMI
c1ccc(Nc2ccc3ccccc3c2)cc1
0
1-N,4-N-diphenylbenzene-1,4-diamine
CCN(CC)C1CCCCC1
0
N-Norlaudanosine
CN(C)Cc1ccccc1
0
Norfloxacin
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
0
Ofloxacin
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
0
Oxyfedrine
COc1cccc(C(=O)CCN[C@H](C)[C@@H](O)c2ccccc2)c1
0
Phenethylamine
NCCc1ccccc1
0
Piperamide
CC(=O)Nc1ccc(N2CCN(CCCN(C)C)CC2)cc1
0
Prinixic acid
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
0
Propericiazine
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
0
Proxazole
CC[C@H](c1ccccc1)c1noc(CCN(CC)CC)n1
0
Quinazosin
C=CCN1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
0
2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)ncc2n1
0
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
OCCN(CCO)c1nc(N2CCOCC2)c2nc(N(CCO)CCO)nc(N3CCOCC3)c2n1
0
2-[[4,8-diamino-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Nc1nc(N(CCO)CCO)nc2c(N)nc(N(CCO)CCO)nc12
0
4-(8-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)morpholine
c1nc(N2CCOCC2)c2ncnc(N3CCOCC3)c2n1
0
Salverine
CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1
0
Spasmadryl
CCN(CC)CCOC(=O)[C@H](Cc1ccccc1)c1ccccc1
0
2-[4-[2-(2-phenylacetyl)oxyethyl]piperazin-1-yl]ethyl2-phenylacetate
O=C(Cc1ccccc1)OCCN1CCN(CCOC(=O)Cc2ccccc2)CC1
0
2-[4-[2-(3-phenylpropanoyloxy)ethyl]piperazin-1-yl]ethyl3-phenylpropanoate
O=C(CCc1ccccc1)OCCN1CCN(CCOC(=O)CCc2ccccc2)CC1
0
(6Z)-6-[(1S)-1-phenylpropyl]-7-[(1R)-1-phenylpropyl]-5,8-dioxa-1,12-diazabicyclo[10.2.2]hexadec-6-ene
CC[C@H](C1=C([C@H](CC)c2ccccc2)OCCCN2CCN(CCCO1)CC2)c1ccccc1
0
Thenyldiamine
CN(C)CCN(Cc1ccsc1)c1ccccn1
0
Tiaramide
O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1
0
Tilorone
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2
0
Tiodazosin
COc1cc2nc(N3CCN(C(=O)c4nnc(SC)o4)CC3)nc(N)c2cc1OC
0
Tiprenolol
CSc1ccccc1OC[C@H](O)CNC(C)C
0
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]aceticacid
O=C(O)COCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1
0
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
0
Zolamine
COc1ccc(CN(CCN(C)C)c2nccs2)cc1
0
Zolertine
c1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1
0
5,7-dihydroxy-2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc(O)cc(O)c12
1