text
stringlengths 11
251
| label
float64 -1.5
4.5
|
|---|---|
Cc1cccc(Nc2ccccc2C(=O)O)c1C
| 1.89 |
CCCc1c(O)c(ccc1OCc2ccc(C(=O)O)c(Br)c2)C(=O)C
| 2.3 |
CC1CCC(CC(=O)Nc2cccc3ncccc23)CC1
| 3.56 |
CCCN[C@H]1CCc2nc(N)sc2C1
| 3.15 |
Nc1nc(OCc2nccs2)nc3c1ncn3[C@@H]4O[C@H](CF)[C@@H](O)[C@H]4O
| 0.47 |
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14
| 2.46 |
O=C(N1CCN(CC1)c2ncccn2)c3cccc(CC4=NNC(=O)c5ccccc45)c3
| 2.13 |
O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c2ccc(O)c3NC(=O)Sc23
| 0.99 |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c3ccc4ncccc4c3
| 3.87 |
c1ccc(cc1)c2nnc(s2)c3ccccc3
| 4.2 |
CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2
| -0.35 |
Cc1ccc(cc1)S(=O)(=O)Nc2c(cnn2c3ccccc3)C(=O)NCc4ccccc4
| 1.9 |
CN1CCCC(CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1
| 1.98 |
CCCCN(CCNC[C@H](O)c1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3
| 2.51 |
Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)cc4
| 1.6 |
C[C@]1(CCSC(=N1)N)c2cc(c(F)cc2F)c3cncnc3
| 0.8 |
Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3
| 0.31 |
OC(=O)c1ccccc1Cn2nnc(n2)c3cccc(OCc4ccc5ccccc5n4)c3
| 2.1 |
Clc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)C3CC3
| 2.72 |
COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)c1
| 0.01 |
COc1cc2ncc(C(=O)N)c(Nc3ccc(F)cc3)c2cc1OC
| 2.82 |
O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c3ccccc3
| 4.02 |
NCC[C@@H](Oc1cc(Cl)ccc1C#N)c2ccccc2
| 0.76 |
CCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C
| 2.79 |
CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c3cc(Cl)ccc3Cl)cc1
| 2.8 |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCN(CCc3ccccc3)C2
| 1.65 |
Cc1c(Sc2ccc(Cl)cc2)c3c(Cl)nccc3n1CC(=O)O
| 0.92 |
Brc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1
| 1.42 |
CC(C)N1CCN(Cc2cnc(c(Cl)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1
| 1.68 |
C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc2ccc(CN3CCOCC3)cc2)C(=O)NO
| 2.03 |
Cc1c(Oc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)C(F)(F)F
| 2.28 |
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F)C(=O)NC3(CC3)C#N
| 2.9 |
CN(C)CCCN1c2ccccc2CCc3ccccc13
| 2.49 |
CN1CCOc2cc(COC3CCCCC3)cnc12
| 3.1 |
COc1ccccc1Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2
| 3.37 |
Fc1cc(C(=O)Nc2cccc(c2)c3nnn[nH]3)c4nc[nH]c4c1
| 0.29 |
CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC[C@@H](O)C4
| 2.74 |
CC(=O)c1ncccc1NC(=O)[C@@H]2CC[C@H](CC2)N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
| 3.01 |
CC(=O)Nc1ccc2nc(cc(O)c2c1)c3cccc(F)c3
| 2.41 |
COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc4ccsc4)cc(C)c2c1
| 2.41 |
COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(F)cccn34)N5CCN(CC5)C(=O)C
| 3.5 |
CC(C)NCC(O)COc1ccccc1OCC=C
| 0.2 |
COc1ccc2N=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2n1
| 0.83 |
NC(=O)Nc1sc(cc1C(=O)N)c2ccc(OCCN3CCCCC3)cc2
| 1.2 |
CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccs2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F
| 2.02 |
CS(=O)(=O)c1ccc2nc(sc2c1)N3CCN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N
| 1.49 |
Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23
| 0.87 |
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1
| 3.13 |
COc1ccc(OC)c(c1)c2cccc3c(N)c(nnc23)C(=O)NC(C)C
| 3.65 |
O=C1C=C(Oc2c1cccc2c3cccc(c3)c4ccsc4)N5CCOCC5
| 4.2 |
CC(C)(C)c1cc2nc3C(=O)N(Cc4ccccc4)Cc3c(O)n2n1
| 1.9 |
[O-]c1c2c(nn1c3ccc(Cl)cc3)c4ccccc4c[n+]2Cc5ccccc5
| 4.5 |
O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCc4oc5ccccc5c4C3
| 3.01 |
COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1
| 2.9 |
CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(cc3C24N=C(C)C(=N4)N)c5cncc(Br)c5
| 3.4 |
O[C@@H](CNCCc1cccc(CN2CCCC2)c1)c3ccc(O)c4NC(=O)Sc34
| -0.28 |
CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccncc3)cn2
| 3.4 |
CNC(=O)[C@H]1CCCN1Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC
| 3.65 |
CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2
| 0.95 |
Cc1ccc(O)c(O)c1
| 1.37 |
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4
| 1.6 |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4
| 4.1 |
Nc1n[nH]cc1c2cc(ccc2Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc4cscn4)C(F)(F)F
| 2.65 |
Fc1ccc(cc1C#N)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3
| 2.71 |
CC(=O)Nc1ccc2ccn(c3cc(NC4COC4)n5ncc(C#N)c5n3)c2c1
| 2.24 |
Cc1ncc(CO)c(CO)c1O
| -0.58 |
NC(=O)Nc1sc(cc1C(=O)N)c2ccc(CNC3CCCC3)cc2
| 1.22 |
CCCSc1nc2ccc(NC(=O)CCC(=O)O)cc2s1
| 0.5 |
CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1
| 1.34 |
C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccc5c(C)nnc(C)c5c4
| 1.93 |
CC(=O)Nc1ccc2CCN(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1
| 3.3 |
Fc1cc(F)cc(c1)c2cc(on2)N(CCCN3CCCCCC3)Cc4ccc5OCOc5c4
| 3.84 |
CC(C)c1ccccc1Nc2nc(SCc3cccs3)n[nH]2
| 4.21 |
Nc1nc2ccc(F)cc2s1
| 2.2 |
COc1cc(N2CC[C@H](C2)N(C)C)c3NC(=CC(=O)c3c1)C(=O)Nc4ccc(cc4)N5CCOCC5
| 2.7 |
Oc1ccc(cc1)S(=O)(=O)Nc2nccs2
| 0.36 |
Clc1cccc(Nc2ncnc3ccccc23)c1
| 3.9 |
O=C(N1CCCC1)c2ccc(cc2)C(=C3CCN(Cc4cscn4)CC3)c5cccc6cccnc56
| 2.75 |
NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)c(Cl)c4
| 2.94 |
O=C(NC1CCCC1)C(N(Cc2occc2)C(=O)c3ccc([nH]3)c4ccccc4)c5ccncc5
| 4.36 |
CN1C(=N)N(CC(=O)c2ccc(Cl)cc2)c3ccccc13
| 1.63 |
CN1CCN(CC1)C(=O)c2cc3cc(Br)ccc3[nH]2
| 2.79 |
COc1cccc(c1)C(=O)N2CCC(CC2)N3C(=O)Nc4ccccc34
| 2.65 |
CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC(Cc3ccccc3)CC2
| 3.44 |
COC1(CCOCC1)c2ccc(NC(=O)C3=CC(=O)c4cc(F)cc(c4O3)c5c(C)nn(C)c5C)cn2
| 2.98 |
CNC(=O)c1ccc(CCC(COc2ccc(cc2)c3cccc(c3)[N+](=O)[O-])N4C(=O)CSC4=O)cc1
| 3.5 |
CN1CCCC1c2cccnc2
| 0.5 |
Oc1ccc(cc1)C2CC(=O)c3ccc(O)cc3O2
| 2.4 |
NCc1nc2ccccc2[nH]1
| 0.4 |
OC(=O)c1cc(nc2ccc(F)cc12)c3ccncc3
| -0.8 |
Nc1nccc(n1)c2ccccc2
| 2 |
OCCN1CC=CC[C@@H](C1)c2ccc(Cl)c(Cl)c2
| 2.37 |
CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCCCC4)n1)c5cc(CO)ccc5C
| 4.2 |
COc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N
| 2.4 |
CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)CC(=O)O
| 2.4 |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC3CC(F)(F)C3)C(=O)c4ccccc24)cc1
| 3.9 |
CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N(C)C
| 2.9 |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2C[C@@H]3CC[C@H]2N(CCc4ccccc4)C3
| 1.64 |
CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c3cccc(c3)c4ccc(Cl)c(Cl)c4)cc1
| 2.94 |
OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O
| 2.03 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.