Dataset Viewer
Auto-converted to Parquet
text
stringlengths
54
2.12k
id
stringlengths
10
10
smiles:COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2OC)co1,logp:-0.835,sascore:3.95846,mol_weight:3.66154
umi2Jas7uf
smiles:C[C@@H](CCO)CNC[C@@H](C)C(=N)O,logp:0.76587,sascore:3.72444,mol_weight:1.88152
yaLUKlQkWl
smiles:O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21)Nc1ccccc1C(F)(F)F,logp:4.6767,sascore:2.57097,mol_weight:4.99081
DvmFQFk3yd
smiles:O=C1NC(c2ccc(O)cc2)=NC2Oc3ccc(-c4ccoc4)cc3C=C12,logp:3.3307,sascore:3.56014,mol_weight:3.58095
63EfVT2R0u
smiles:Cn1cc([C@@H](O)CNC(=O)NCc2ncccn2)cn1,logp:-0.2571,sascore:2.98123,mol_weight:2.76133
mv7iecTrFP
smiles:CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=C(C(=C2)C)Cl)OC)OC,logp:6.27662,sascore:2.15206,mol_weight:4.31186
5LBwJ8oztb
smiles:C1C2=CC=CC=C2C(=O)N1[C@@H](CC(=O)O)C3=CSC=C3,logp:2.9199,sascore:2.77376,mol_weight:2.87062
nNx9ahyWC9
smiles:c1cc(CO)c2c(c1)c(CC#N)c[nH]2,logp:1.72628,sascore:2.56293,mol_weight:1.86079
GetOx50RAm
smiles:CNC(=O)CN1CC(O)(CNC(=O)c2ccc3nn[nH]c3c2)C1,logp:-1.5196,sascore:2.88545,mol_weight:3.18144
aWXdmgsjc9
smiles:C[C@@H]1CCCN1C(=O)C1(CC1)N,logp:0.4886,sascore:2.95182,mol_weight:1.68126
OGskiPQHv6
smiles:CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2,logp:-0.4,sascore:4.13061,mol_weight:4.12232
eA7CIpwWJC
smiles:c1cc2C(=CCn2c1)C(=N)O,logp:1.42037,sascore:3.61113,mol_weight:1.48064
wQUiYupkY6
smiles:CC[C@H](CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1)OC,logp:-0.1435,sascore:3.29639,mol_weight:2.94169
3ZA0AFcDyt
smiles:CC1=C(C)OC(=O)OC1,logp:1.4471,sascore:3.7942,mol_weight:1.28047
86PDYGUKtL
smiles:Cc1cc(CN2CC3(C2)CN(C(=O)c2cn(C)nn2)CCO3)ncn1,logp:-0.35948,sascore:3.50108,mol_weight:3.43176
acnBb9vpyd
smiles:c1cc(cc(c1)C(=O)O)[C@@H]1CCCC1=O,logp:2.2214,sascore:2.48329,mol_weight:2.04079
KImmMKMkZT
smiles:CCCCCc1cc(ccc1C)F,logp:3.86682,sascore:1.62405,mol_weight:1.80131
LJLAARn1mL
smiles:COCCO[C@H](C)C(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1,logp:-0.7595,sascore:3.28186,mol_weight:3.41206
nOpWzUUAnE
smiles:C/C(=N\CC#CN=C)/O,logp:0.6243,sascore:4.78109,mol_weight:1.24064
XpJciNwp9T
smiles:O=C(Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)O)c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)O)c3)cc2c1,logp:5.732,sascore:2.73043,mol_weight:7.82048
8YXtKq9Suj
smiles:C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)N1CCCCCC1,logp:-0.7239,sascore:3.52406,mol_weight:3.38207
29b5i0hiot
smiles:Cc1cc(C=O)ccc1N(CCCl)CCCl,logp:3.09152,sascore:2.57614,mol_weight:2.59053
aygMl5d14a
smiles:CC[C@H]1C(=N[C@H](CC(C)C)O1)C,logp:2.6283,sascore:4.2763,mol_weight:1.69147
WNd3PVxe23
smiles:C=C[C@@H]1[C@@H](COSN1C(=O)C(C)(C)C)O,logp:1.37,sascore:4.67527,mol_weight:2.31093
8kAteQ7zeY
smiles:COc1cccc(c1c1cc(n[nH]1)O)O,logp:1.4965,sascore:2.74413,mol_weight:2.06069
eGJsXR1vjl
smiles:CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)C,logp:5.0192,sascore:1.67276,mol_weight:3.39183
3QVi1iEr3u
smiles:CCn1cc(cn1)NCc1ccc(cc1C)F,logp:2.96262,sascore:2.1205,mol_weight:2.33133
Pl6ph8evjR
smiles:CN(C1CCCCC1)[C@H]1CCCCC[C@H]1N,logp:2.9109,sascore:3.08025,mol_weight:2.24225
HImL4Qx8ps
smiles:O=S1(=O)CC[C@H](/N=C(/O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1,logp:-0.7861,sascore:3.98532,mol_weight:3.95118
YFn8czvF01
smiles:O=C(Cn1nccn1)N[C@@H](CO)CNC(=O)c1cccc2[nH]ccc12,logp:-0.3335,sascore:3.10071,mol_weight:3.42144
mTqzx3YWhf
smiles:C[C@H]1[C@@H](N[C@H]2CCC(=O)NC2=O)CCN1C(=O)CCc1ccon1,logp:-0.0086,sascore:4.00246,mol_weight:3.34164
6UM25WquPs
smiles:CC(=O)N1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCOC2)C1,logp:-1.4028,sascore:3.39142,mol_weight:3.25164
c46QnAyDeO
smiles:C1=COC(=C1)/C=C/C=C/2\C(=O)NC(=S)S2,logp:2.3246,sascore:2.91638,mol_weight:2.36992
qQxhVkFUPf
smiles:C[C@H](CCNC(=O)Cn1nnc2c1CCCC2)N[C@H]1CCN(C)C1=O,logp:-0.128,sascore:3.7265,mol_weight:3.48227
2lznIA7wHc
smiles:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(=O)N(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,logp:4.16,sascore:7.06884,mol_weight:15.06917
qY2mew3OCj
smiles:C[C@@H]1CCN(c2cnccn2)C(=O)[C@H](C1)NC,logp:0.8275,sascore:3.34406,mol_weight:2.34148
rcFbTogusD
smiles:CN(C[C@@H](O)CNC(=O)CC1(O)CCC1)C(=O)c1ccns1,logp:-0.0027,sascore:3.59213,mol_weight:3.27125
cm8M1DLNrb
smiles:Cc1ccc(cc1Cl)N/C(=N\C1CC1)/O,logp:3.13672,sascore:2.39094,mol_weight:2.24072
cPLfN8gcI1
smiles:CCN(CC)c1ccccc1C[S+]([O-])c1nc2c(n1Cc1ccccn1)CCC2,logp:3.9691,sascore:3.71877,mol_weight:4.08198
vbSxri7S03
smiles:CC(=O)NCC(=O)NCC1(O)CCN(C(=O)COC(C)(C)C)CC1,logp:-0.5927,sascore:2.6239,mol_weight:3.43211
7BILd2xhpT
smiles:C1CC[C@@H]2C(=C(C(=O)N=N2)N)C1,logp:1.1342,sascore:3.93207,mol_weight:1.6509
X8CC6bsdWT
smiles:CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1,logp:0.9576,sascore:2.2676,mol_weight:2.78084
FhzstVMlPn
smiles:Cn1ncc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1N,logp:-0.0048,sascore:3.26402,mol_weight:3.21141
ifdHhgUldI
smiles:Cc1nc([C@@]2(CC3CC3)CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)no1,logp:3.17882,sascore:3.40479,mol_weight:3.97127
cYsRqxGLkV
smiles:CCCNCc1coc2c(C)cc(cc12)Cl,logp:3.89422,sascore:2.36023,mol_weight:2.37092
kFhpnolRfJ
smiles:CCOC1=CC2=C(C=C1)N=C(S2)SCCCN3C(=O)C4=CC=CC=C4C3=O,logp:4.4734,sascore:2.21422,mol_weight:3.98076
8DQYoVzt7z
smiles:C/C(=C\C(=O)C)/[C@H]1CCC=C(C)C1(C)C,logp:3.9042,sascore:3.74451,mol_weight:2.06167
5n58Lv2QAz
smiles:O=C(N[C@@H]1CCNC1)N[C@@H]1CCS(=O)(=O)C1,logp:-1.1654,sascore:3.26232,mol_weight:2.47099
BX6VZaPvIL
smiles:C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CN(C)C)c3)nc2n1,logp:3.3427,sascore:3.65905,mol_weight:4.80265
ARWtm68dWI
smiles:NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(NCCn2cncn2)CC1,logp:-0.6298,sascore:3.3567,mol_weight:3.20196
8QS7TDVabH
smiles:CCO/N=C/[C@@H](C)[C@@H](C(=O)OC)O,logp:0.1787,sascore:3.74089,mol_weight:1.891
w7X4ZUCuLU
smiles:CCCC/C(=C(\C)/CS)/C,logp:3.4428,sascore:3.10004,mol_weight:1.58113
vmSNdL1fqz
smiles:C[C@@H]1CC[C@H](C1)NC[C@@H](C)N(C)C,logp:1.7147,sascore:3.28587,mol_weight:1.84194
IO56dtlENC
smiles:CC(=O)N(C)CC(=O)N1CCC(NC(=O)[C@@]2(F)CCOC2)CC1,logp:-0.2995,sascore:3.33378,mol_weight:3.29175
PQX8mQnIcf
smiles:CN1CCCC[C@H](C2=CC(=O)CCC2)C1=O,logp:1.9243,sascore:3.18331,mol_weight:2.21142
l5b5kg5Vi1
smiles:CS[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1,logp:-0.0278,sascore:3.41569,mol_weight:3.98199
jsETRNMjCu
smiles:O=C(Nn1ccnn1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1,logp:-1.6162,sascore:3.90589,mol_weight:3.13084
UlZ8owsoNR
smiles:C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC(C)C)[C@@H]2C1,logp:-0.1717,sascore:3.46055,mol_weight:2.77179
V7DIgDqDnr
smiles:CCc1cnc(CN[C@@H](C)CNC(=O)CN2CCCS2(=O)=O)o1,logp:-0.1332,sascore:3.47744,mol_weight:3.44152
WNfp6sP28q
smiles:CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1,logp:4.6645,sascore:1.83697,mol_weight:4.1321
OJ7IS6cYJd
smiles:CCOCCC[C@@H]1CC[C@H](C1)NC,logp:2.1912,sascore:2.99743,mol_weight:1.85178
d1gkExguiN
smiles:NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)o1,logp:-0.2375,sascore:3.25698,mol_weight:3.85131
OPYBAAsdaW
smiles:Cn1ncc2cc(Cc3n[nH]c4ccc(C(=O)N5CC[C@H](O)C5)cc34)ccc21,logp:2.2472,sascore:3.07636,mol_weight:3.7517
PyXI4Ie0Gf
smiles:CCc1cccc(c1)OCC(=O)N(C)OC,logp:1.6476,sascore:2.01555,mol_weight:2.23121
Tnvcki1FRt
smiles:CC(=O)NCC(=O)NC[C@H](O)CN(C)C(=O)c1nc(C)oc1C,logp:-1.02336,sascore:3.08701,mol_weight:3.26159
odCOD2Fw3e
smiles:COC(=O)[C@](C)(CO)NCC(=O)N[C@H](C)C(=O)N1CCCCC1,logp:-0.9828,sascore:3.17749,mol_weight:3.29195
qDuK0AKPeT
smiles:CC(=O)N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1.O=C(O)C(=O)O,logp:1.2516,sascore:2.08084,mol_weight:4.19065
WMTFKiJDpx
smiles:C[C@@H]1CCS[C@@H](C)[C@@H](c2ccccc2)N1,logp:3.2312,sascore:3.50741,mol_weight:2.21124
7lvnGFQvQt
smiles:C=C1C=C[C@H](C=C1)[C@H]1[C@H]2CC[C@H]2C(=NN1)O,logp:2.1543,sascore:5.13762,mol_weight:2.16126
aYP7bG9Unq
smiles:Cn1nncc1C(=O)N[C@@H](CNC(=O)c1cnn2cc[nH]c12)C1CC1,logp:-0.2707,sascore:3.82053,mol_weight:3.42155
2m6wvlm7Ox
smiles:CCOCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1,logp:-0.192,sascore:3.3553,mol_weight:3.35171
mqBMfvjtSg
smiles:C#CCN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1,logp:-0.9276,sascore:3.94411,mol_weight:3.23185
tH83HCox2t
smiles:O=C(Cc1ccsc1)N1CC[C@H](n2c(=O)[nH]c3cncnc32)C1,logp:1.1972,sascore:3.14875,mol_weight:3.29095
Blc7tRKS6c
smiles:C[C@@](C#N)(CN1CCC2(CCCC2)CC1)N,logp:1.88358,sascore:3.68334,mol_weight:2.21189
HzGyAycEJS
smiles:C[C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CN1C(=O)c1ccon1,logp:-0.4572,sascore:3.46195,mol_weight:3.34128
OjayF4GUpR
smiles:CCN[C@@H]1CCCC[C@@H]1c1nc(C(C)C)no1,logp:2.8287,sascore:3.24173,mol_weight:2.37184
iwk7rXgqWd
smiles:CCOC(=C)c1c(Cl)nsn1,logp:2.1987,sascore:3.39196,mol_weight:1.89997
pZK25c8iwN
smiles:O=C(NCC1[C@@H]2CN(C(=O)Cc3cscn3)C[C@@H]12)c1cnn[nH]1,logp:-0.0619,sascore:4.09067,mol_weight:3.32106
Luc6EsIYrJ
smiles:CCCCOCCOCCC[C@@H](C)NCC,logp:2.5979,sascore:2.6066,mol_weight:2.3122
jKsvZ3sDMs
smiles:O=C(CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)N1CCC(O)CC1,logp:-1.589,sascore:3.09828,mol_weight:4.51145
5N19IsgVRE
smiles:CC(C)(C)c1nn(CC(N)=O)cc1Br,logp:1.4284,sascore:2.73065,mol_weight:2.59032
ixoQN9eDb3
smiles:CCOC(=O)C(=C)Cc1ccc(cc1)O,logp:2.054,sascore:2.06808,mol_weight:2.06094
k2wzJeeOW2
smiles:Cc1c(-c2scc(F)c2F)sc2c(C)c(-c3sc(-c4sc5c(OC(F)(F)C(F)(F)F)csc5c4OC(F)(F)C(F)(F)F)c(F)c3F)sc12,logp:13.60404,sascore:4.4724,mol_weight:8.09863
Kg7GzzEkoy
smiles:COC(=O)c1ccnc(c1)[C@@H]1CCCCC1=O,logp:2.0949,sascore:2.7888,mol_weight:2.33105
7B34IxZZyY
smiles:C1=CC=NC(=C1)C2=NC(=CS2)C=O,logp:2.0176,sascore:2.3846,mol_weight:1.9002
07iVuMaC8f
smiles:C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C#N,logp:3.23228,sascore:2.01742,mol_weight:3.20073
ipV9NTPw4J
smiles:O=C1O[C@H]2CC[C@@H]1C=C2,logp:0.878,sascore:4.96218,mol_weight:1.24052
T7PYGJPKT3
smiles:CC1CCCCC1NC(=O)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1,logp:2.6754,sascore:3.71424,mol_weight:4.07134
BNIt0vF6Wk
smiles:CCC(CC)(Cc1cccc(c1C)N(=O)=O)N,logp:2.96322,sascore:2.57409,mol_weight:2.36152
S42cUFUWFF
smiles:C[C@@H](CC(N)=O)C(=O)NCCCNCc1nc(-c2ccncn2)no1,logp:-0.366,sascore:3.08023,mol_weight:3.47171
Z8CtbdYLT9
smiles:CC(C)(CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)c1ccncc1,logp:-0.4665,sascore:2.65336,mol_weight:3.61175
dvgLEQKbfA
smiles:C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1,logp:-0.55,sascore:3.99199,mol_weight:3.49111
wdlzQ0ghbb
smiles:O=c1[nH]c(Cc2nc3ccccc3[nH]2)nc2cc3ccccc3cc12,logp:3.5434,sascore:2.30269,mol_weight:3.26117
afQ6YcUAj9
smiles:CC(C)(C)c1cnc(nc1)N1CCN(C)CC1,logp:1.5259,sascore:2.171,mol_weight:2.34184
Bjfs3y8emA
smiles:C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O,logp:2.9779,sascore:1.92814,mol_weight:3.74127
Utcw6ShM5V
smiles:C(CCl)CNc1ccnc(CO)c1Cl,logp:2.2681,sascore:2.73727,mol_weight:2.34033
MIPhDe9sAk
smiles:CCc1nc(CN(C)C2CCN(Cc3cnc(C)cn3)C2)no1,logp:1.43672,sascore:3.1614,mol_weight:3.16201
Sl25ZOrDvx
smiles:CCN[C@H]1COC[C@H]1/C(=N\c1cnccn1)/O,logp:0.6891,sascore:3.96767,mol_weight:2.36127
fGqCfvWj1B
smiles:Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2O)n[nH]1,logp:-0.77526,sascore:3.47046,mol_weight:3.3216
ktj1dx4sL0
smiles:C[C@@H](CC(C)(C)c1cccc(c1)F)N,logp:2.8406,sascore:2.62664,mol_weight:1.95142
MwjMyoOPyP
End of preview. Expand in Data Studio
README.md exists but content is empty.
Downloads last month
35