inchikey
stringlengths 27
27
| smiles
stringlengths 13
254
| PPARD
float64 -14.7
-3.7
⌀ | ABL1
float64 -14.2
-4.4
⌀ | ADAM17
float64 -13.3
-4.2
⌀ | ADRB1
float64 -15.6
10.2
⌀ | ADRB2
float64 -15.5
15.5
⌀ | AKT2
float64 -13.8
-4
⌀ | MAOB
float64 -13.1
107
⌀ | CASP3
float64 -12.7
-3.7
⌀ | DHFR
float64 -13.7
-4
⌀ | ESR2
float64 -12.3
-3.9
⌀ | PTK2
float64 -13.3
-3.8
⌀ | FGFR1
float64 -12.8
-3.7
⌀ | HMGCR
float64 -12.1
-3.9
⌀ | HSP90AA1
float64 -15.9
-3.8
⌀ | KIT
float64 -12.9
-3.5
⌀ | MAPKAPK2
float64 -13.1
-3.7
⌀ | MAP2K1
float64 -14
-2.6
⌀ | NOS1
float64 -13.3
24.5
⌀ | PARP1
float64 -15.3
-4.3
⌀ | PDE5A
float64 -15.2
-3.7
⌀ | PGR
float64 -13
34.4
⌀ | PTPN1
float64 -12.5
-3.4
⌀ | ROCK1
float64 -13.4
-3.6
⌀ | AKT1
float64 -15.6
11.5
⌀ | AR
float64 -11.6
48
⌀ | CDK2
float64 -12.9
-3.6
⌀ | CSF1R
float64 -13.3
-4.1
⌀ | ESR1
float64 -12.9
-4.2
⌀ | NR3C1
float64 -13.3
48.5
⌀ | IGF1R
float64 -12.2
-4.1
⌀ | JAK2
float64 -13.7
-4
⌀ | LCK
float64 -13.6
-3.8
⌀ | MET
float64 -13.4
-4.2
⌀ | MMP13
float64 -14.1
-4.3
⌀ | PTGS2
float64 -13.9
14.5
⌀ | PPARA
float64 -14
-3.8
⌀ | PPARG
float64 -13.4
-4.1
⌀ | REN
float64 -16.3
-3.5
⌀ | ADORA2A
float64 -15
-4
⌀ | ACHE
float64 -15.5
2.1
⌀ | BACE1
float64 -11.6
-3.5
⌀ | CA2
float64 -12.2
-3.9
⌀ | CYP2C9
float64 -15.5
31.8
⌀ | CYP3A4
float64 -15.6
19.8
⌀ | HSD11B1
float64 -13.2
-4.1
⌀ | DPP4
float64 -14.1
-4.2
⌀ | DRD2
float64 -15.4
2.2
⌀ | DRD3
float64 -14
12
⌀ | EGFR
float64 -14.7
-4
⌀ | F10
float64 -12.9
-4
⌀ | GBA
float64 -14
29.2
⌀ | MAPK1
float64 -13
-4.1
⌀ | MAPK14
float64 -12.8
-4
⌀ | PLK1
float64 -14.4
-3.7
⌀ | SRC
float64 -13.8
-3.9
⌀ | THRB
float64 -13.9
-2.9
⌀ | F2
float64 -12.2
-4.2
⌀ | KDR
float64 -14
-0.1
⌀ | qed
float64 0.01
0.95
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FIHDHYCDPQIHTA-WYUMXYHSNA-N
|
S1C(N2N=C(C=C2C(F)(F)F)C)=NC(=C1)C(O)=O
| -7.1 | -7 | -7.3 | -7.7 | -7.5 | -7.3 | -6.8 | -6.6 | -7.5 | -6.9 | -6.3 | -6 | -6.8 | -7.8 | -6.6 | -7 | -7 | -6.6 | -7.2 | -8 | -7.3 | -5.9 | -6.6 | -7.5 | -7.5 | -7.2 | -7.7 | -6.8 | -7.2 | -7 | -7.1 | -6.2 | -6.9 | -7.4 | -8 | -7.2 | -7.2 | -7.1 | -7.3 | -8.6 | -6.6 | -6.9 | -7.2 | -7.4 | -7.7 | -6.9 | -6.7 | -7.2 | -7.6 | -6.8 | -7.6 | -7.7 | -6.2 | -7.8 | -6.6 | -7.5 | -6.7 | -6.9 | 0.914513 |
KHOGWJIVNPIOCU-QWOVJGMINA-N
|
S1N=NC(C(=O)N(C(C(=O)NC2CCCCC2)C3=CC=C(F)C=C3)CC=C)=C1
| -7.7 | -8.1 | -8.1 | -8.3 | -8.3 | -7.2 | -5 | -7.3 | -8.1 | -8.1 | -7.5 | -6.8 | -7.3 | -7.8 | -6.7 | -7.5 | -8.1 | -8 | -8.5 | -9.9 | -7.6 | -6.4 | -7.7 | -9.2 | -5.7 | -7.4 | -7.5 | -8.3 | -6.9 | -7.6 | -7.8 | -8.1 | -7 | -7.3 | -9 | -7.2 | -7 | -7.4 | -9.1 | -9.1 | -6.7 | -6.9 | -8.2 | -9.1 | -8.6 | -8.2 | -8.2 | -7.4 | -7.6 | -7.5 | -8.5 | -8.3 | -7 | -8.1 | -7.6 | -7.6 | -7.5 | -6.5 | 0.719565 |
NCZFGNQFTLEOCR-LQFNOIFHNA-N
|
ClC1=CC=C(CN2C(=O)C=3C(N=C2C)=CC=C(NC(=O)C=4SC=CC4)C3)C=C1
| -10 | -9.3 | -8.4 | -9.9 | -9.9 | -8.6 | -6 | -7.6 | -9.4 | -8.2 | -8.4 | -8.8 | -7.8 | -10.2 | -8.6 | -9.1 | -9.9 | -8.7 | -9.3 | -10.4 | -7.1 | -8.3 | -9.1 | -9.7 | -6.6 | -9.4 | -8.9 | -8.1 | -9.4 | -7.8 | -8.5 | -8 | -8.9 | -9.9 | -7.7 | -7.8 | -8.9 | -8.4 | -9.8 | -8.8 | -7.7 | -7.9 | -10.2 | -9.6 | -9.9 | -8.5 | -10.4 | -9.5 | -9 | -8.8 | -9.8 | -8.4 | -8.1 | -10.3 | -8.3 | -8.4 | -9 | -9.3 | 0.53002 |
JVSMNVGRPOXRRS-MPIMZMORNA-N
|
O(C(=O)CCC=1N(C2=C(C(=O)N1)C=CC=C2)C)CC(=O)NC(C3=CC=CC=C3)C
| -9.7 | -10.1 | -8.9 | -10.3 | -10.2 | -9 | -9.4 | -7.7 | -9.8 | -8.2 | -8.3 | -8.2 | -7 | -9.7 | -8.6 | -8.7 | -8.7 | -8.9 | -10.1 | -10.7 | -8.6 | -8.2 | -9 | -8.9 | -9.1 | -8.6 | -8.1 | -8.7 | -9.1 | -8.4 | -8.8 | -7.1 | -9.5 | -9.6 | -9.4 | -9.8 | -8.4 | -8.2 | -9 | -11.1 | -7 | -7.4 | -9.8 | -9.2 | -9.5 | -8.9 | -8.9 | -9.1 | -9.2 | -9.3 | -8.8 | -9 | -8.2 | -9.2 | -7.6 | -9.7 | -8.9 | -10 | 0.622204 |
ILJIHIIRVFMQJQ-UYBDAZJANA-N
|
S(=O)(=O)(N(CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)C)C)C)C=3NC=NC3
| -9.1 | -8.6 | -8.7 | -9 | -9.6 | -8 | -8.5 | -7.6 | -8.7 | -7.2 | -8.5 | -8.1 | -7.3 | -9.4 | -8.1 | -7.9 | -8.7 | -7.6 | -10.3 | -10.7 | -7.2 | -7.9 | -8.9 | -9.5 | -6.1 | -8.7 | -9.2 | -7.8 | -9.4 | -7.7 | -9.2 | -7.9 | -8.3 | -8.2 | -7.4 | -8.6 | -7.5 | -7.9 | -8.4 | -8.1 | -7.6 | -7.7 | -8.8 | -8.5 | -9.2 | -8.7 | -8.4 | -8.6 | -8.5 | -9.3 | -9.3 | -8.2 | -8.6 | -8.4 | -8.1 | -9.4 | -8.1 | -8.8 | 0.821196 |
HNHYXWAVXGQPKV-CIKQNFQVNA-N
|
OC1=NC(=NC(=C1)C)N/N=C/C(C2=CC=CC=C2)C
| -8.7 | -8.5 | -9.1 | -9.1 | -8.6 | -7.9 | -8.9 | -7.5 | -8.5 | -7.9 | -7.4 | -8.1 | -7.1 | -8.7 | -7.6 | -7.3 | -8.4 | -8.8 | -8.5 | -10 | -8.2 | -7.3 | -7.9 | -7.8 | -7.9 | -8.4 | -8.6 | -8 | -7.9 | -8.2 | -8.4 | -7.7 | -8.2 | -8 | -8.4 | -8.3 | -8.5 | -8 | -8.7 | -9.9 | -6.6 | -7.3 | -8.3 | -8.7 | -8.5 | -7.7 | -8.2 | -7.8 | -8.5 | -8 | -8.6 | -8.2 | -8.1 | -8.6 | -7.6 | -9.3 | -8.1 | -9.1 | 0.651457 |
SRRYSPSBJMMKMC-PKSOQXRJNA-N
|
ClC1=CC(NC(=O)C(NC(C)C)C2=CC=CC=C2)=CC(Cl)=C1
| -9.4 | -7.5 | -7.7 | -8.2 | -8.1 | -8.3 | -8.9 | -6.6 | -8.6 | -7.5 | -8 | -6.7 | -6.4 | -9 | -7.2 | -7.2 | -7 | -7.7 | -8.4 | -8.7 | -8.4 | -7.7 | -8 | -7.6 | -6.8 | -8 | -8.1 | -7.6 | -8.2 | -8.2 | -8.2 | -7.8 | -7 | -7.9 | -8.4 | -8.1 | -7.8 | -7.4 | -8.3 | -8.5 | -6.6 | -7.2 | -8.6 | -8.6 | -8.4 | -8.2 | -8 | -7.5 | -7.8 | -7.4 | -8.5 | -8 | -7 | -8.2 | -7.6 | -9.4 | -7.6 | -8.7 | 0.832308 |
LAMSRGJJBGMGDU-YAQRNVERNA-N
|
O1C2=C(C=3C(C=C2)=CC=CC3)C=C1C(=O)NN
| -8.2 | -9.5 | -8.3 | -9.4 | -9.1 | -8.6 | -8.9 | -8.3 | -9.2 | -8.3 | -8.1 | -9 | -7.5 | -9.9 | -9.3 | -8.1 | -8.4 | -8.4 | -8.9 | -10 | -8.2 | -8 | -8.5 | -8.3 | -8.7 | -8.9 | -9 | -8.5 | -8.6 | -7.9 | -8.9 | -7.7 | -8.4 | -9.1 | -10.2 | -8.2 | -8.9 | -8.1 | -9.5 | -11.2 | -6.8 | -7.8 | -8.7 | -8.5 | -8.6 | -7.7 | -9.5 | -8.6 | -8.6 | -7.9 | -8.9 | -9.4 | -7.5 | -9.2 | -7.8 | -10.3 | -7.5 | -8.7 | 0.379417 |
ROIIMCIWVIJPFO-XBTAAFKLNA-N
|
S1C2=C(CCCC2)C3=C1N=C(NC3=O)CCC(=O)NC4=NC(=CC=C4)C
| -10.2 | -9.7 | -9.6 | -10.6 | -10.5 | -9.3 | -10.3 | -8.1 | -9.9 | -7.6 | -8.6 | -8.8 | -8.4 | -10.4 | -9.8 | -9.6 | -9.9 | -9.4 | -10.2 | -11 | -8.3 | -8.3 | -9.7 | -9.6 | -9.1 | -9.4 | -9.5 | -8.6 | -9.9 | -9.3 | -8.9 | -9 | -9.4 | -10.4 | -9.4 | -10.3 | -9.2 | -8.9 | -9.5 | -10.5 | -7.8 | -8 | -9.9 | -9.7 | -9.8 | -9.1 | -10 | -9.9 | -10 | -8.7 | -9.8 | -9.2 | -7.7 | -10 | -9.7 | -10.9 | -8.9 | -10.5 | 0.740472 |
PXVJDCYAWOZBLZ-IADGFXSZNA-N
|
O1[C@@H](OCC2=CC=C(C=C2)CO)CC(=CC1C(=O)N3CCN(CC3)CC4=CC=5OCOC5C=C4)C6=CC=7OCOC7C=C6
| -10.7 | -9.4 | -9.6 | -11.9 | -11.5 | -10 | -0.4 | -9.3 | -11.3 | -8.5 | -9.4 | -10 | -9.4 | -11 | -9.9 | -9.2 | -10.8 | -10.8 | -11 | -12.8 | -7.8 | -9.9 | -10.8 | -12.4 | -6.7 | -9.2 | -9.1 | -8.4 | -6.3 | -9.2 | -9.9 | -9.4 | -9.9 | -11.1 | -8 | -10 | -9.1 | -10.7 | -11.5 | -9.3 | -8.7 | -8.9 | -11.4 | -12.2 | -8.1 | -10 | -10.2 | -9.6 | -10.5 | -11.1 | -10.8 | -10.5 | -9.1 | -11.7 | -9.6 | -5.7 | -10.1 | -9 | 0.423795 |
ZAWRAZAMKPWWKQ-UHFFFAOYNA-N
|
S(CC(=O)N(C1CCCCC1)C2CCCCC2)C=3N(C4=C(N3)N(C(=O)N(C4=O)C)C)C
| -9.3 | -8.7 | -8.3 | -9.3 | -9.6 | -8.3 | -6.3 | -7.4 | -10 | -8.7 | -8 | -7.4 | -7.8 | -7.8 | -7.1 | -8.6 | -9 | -7.7 | -9.9 | -9.8 | -6.4 | -7.3 | -8.2 | -9.4 | -6.2 | -8.8 | -7.8 | -9 | -9.1 | -8.3 | -8.4 | -8.2 | -7.9 | -8.4 | -7.3 | -8.5 | -8.7 | -8.3 | -9.4 | -9.9 | -6.9 | -7.9 | -9.8 | -9 | -8.9 | -9.1 | -8.5 | -9.1 | -8.5 | -7.8 | -10 | -8.7 | -8.8 | -8.6 | -8.4 | -9.4 | -8 | -9 | 0.658168 |
NVLPYQDDTLPGMX-LILDFLRNNA-N
|
O=C1N2CC3CC(CN(C3)C=4N=C(N=C(OC)N4)NCCC)C2=CC=C1
| -8.5 | -8.1 | -9 | -8.3 | -9.3 | -8.2 | -6 | -7.4 | -8.7 | -7 | -7.4 | -7.6 | -7.1 | -8 | -7 | -7.3 | -8.5 | -7.2 | -9 | -8.5 | -6.7 | -7.5 | -7.8 | -8.5 | -6.5 | -8.3 | -8.5 | -7.2 | -7.6 | -6.9 | -7.4 | -7.8 | -8.8 | -7.5 | -7 | -8 | -8.2 | -7.3 | -7.5 | -7.5 | -7.1 | -7.4 | -10 | -9 | -8.1 | -8.2 | -7.6 | -8.2 | -10.1 | -8.5 | -10.3 | -8 | -7.5 | -9 | -8 | -6.3 | -8.9 | -7 | 0.868509 |
IOHFIRRZCKLFOM-MPIMZMORNA-N
|
OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NN=CC=3C=C(N(=O)=O)C=CC3O
| -10.7 | -8.5 | -9.7 | -9.9 | -10 | -8.4 | -8 | -8 | -9.2 | -8.7 | -8.9 | -9.1 | -8.7 | -8.7 | -8.5 | -8.3 | -9.3 | -8.9 | -9.9 | -10.6 | -7.8 | -8.1 | -8.9 | -9 | -6.4 | -9.4 | -8.9 | -9.2 | -8.7 | -8.9 | -9 | -8.7 | -8.8 | -10 | -7.7 | -9.3 | -8.7 | -8.6 | -9.5 | -11 | -7.6 | -8.6 | -9.8 | -10.2 | -9.7 | -10 | -9.5 | -8.9 | -9.5 | -9.4 | -10.4 | -9 | -8 | -9 | -9.3 | -10.9 | -9 | -9.7 | 0.338413 |
AJJQPMXAMINISO-GPQMBLKYNA-N
|
ClC=1C(N2CCN(CC2)CC)=CC=C(NC(=O)C(C)C)C1
| -7 | -8.7 | -7.5 | -8.4 | -8.4 | -7 | -8.7 | -6.7 | -7.2 | -6 | -7.6 | -8.1 | -6.4 | -7.8 | -7.8 | -6.6 | -7.6 | -7.3 | -7.5 | -8.5 | -6.9 | -6.4 | -7 | -7.2 | -5.8 | -7.2 | -7.8 | -6.4 | -8.3 | -6.8 | -6.7 | -7.3 | -8.2 | -8.7 | -6.7 | -7.5 | -7.2 | -7.1 | -7.8 | -7.2 | -6.2 | -7.1 | -7.9 | -7.5 | -8.1 | -7.8 | -8.5 | -7.7 | -8 | -6.4 | -7.8 | -7.1 | -7.8 | -7.6 | -7.1 | -8.4 | -6.9 | -7.7 | 0.928186 |
WEQSRNMOVTVUFX-LILDFLRNNA-N
|
O=C(N1CCCCC1)C2=C(O)C=3C(N=C2)=CC=C(OC)C3
| -8 | -8.9 | -8.7 | -8.6 | -8.7 | -8.2 | -8.3 | -6.8 | -8.1 | -6.7 | -7.6 | -7.9 | -7.1 | -8.4 | -8.3 | -7.7 | -7.9 | -8 | -8.2 | -8.9 | -8.8 | -6.8 | -7.5 | -8.3 | -7.8 | -7.9 | -9 | -7.3 | -8.4 | -7.9 | -8.1 | -7.6 | -7.7 | -8.7 | -8.6 | -8.4 | -7.7 | -6.8 | -9 | -9.2 | -6.8 | -7.9 | -8.1 | -8.1 | -8.5 | -8.2 | -9 | -8.6 | -8.6 | -8 | -8.8 | -8.1 | -7.5 | -8.4 | -7.4 | -9.1 | -8.3 | -8.2 | 0.921331 |
SZBXGKRLEBMIRG-UHFFFAOYNA-N
|
N(=C(C1=CC=CC=C1)C(C#N)C#N)C=2C=CC=CC2
| -7.4 | -8.2 | -6 | -7 | -7.4 | -7 | -5.6 | -5.9 | -7.6 | -7.3 | -6.3 | -7.2 | -6.2 | -7.4 | -5.5 | -6.1 | -6.6 | -6.1 | -6.9 | -7.6 | -7.2 | -5.6 | -6.8 | -7 | -7 | -6.3 | -7 | -7.4 | -6.8 | -6.7 | -6.6 | -6.9 | -6.7 | -7.3 | -7.5 | -7.5 | -6.1 | -6.7 | -7.7 | -9 | -5.4 | -6.4 | -7.4 | -7.5 | -7.3 | -7 | -6.6 | -7 | -6.6 | -6.1 | -7.3 | -7.2 | -6.5 | -7.7 | -6.7 | -7.2 | -6.3 | -7.1 | 0.777134 |
DFQPZPOLTUQKKY-SNAWJCMRNA-N
|
BrC=1N(C2=C(N(C(=O)N(C2=O)C)C)N1)C/C=C/C
| -6.5 | -7 | -6.3 | -7.1 | -7.1 | -6.8 | -6.6 | -5.9 | -7.2 | -6.7 | -7.4 | -5.9 | -7.2 | -6.8 | -6.9 | -6.8 | -6.8 | -5.8 | -7.5 | -7.5 | -6.8 | -6 | -6.3 | -7.1 | -6.4 | -7.5 | -7.8 | -6.9 | -7.2 | -6.8 | -6.6 | -6.4 | -6.2 | -6.1 | -7.3 | -7.3 | -6.8 | -6.4 | -7 | -8 | -5.6 | -5.9 | -7.1 | -7.4 | -7.2 | -6.5 | -6.7 | -6.5 | -7.2 | -6.1 | -7.5 | -7.5 | -5.9 | -6.8 | -6.4 | -7 | -6.4 | -5.4 | 0.607718 |
MHGAAWXIHHSNDZ-PKRZOPRNNA-N
|
O(CCN(CC)CC)C(=O)C1=CC=C(N=CC2C(=O)N(C3=C(C=C(C=C3C)C)C)C(=O)NC2=O)C=C1
| -9.3 | -8.7 | -9 | -9.3 | -9.1 | -8.9 | -2.6 | -7.2 | -8.8 | -7.1 | -7.9 | -8.3 | -7.4 | -8.5 | -8.1 | -7.8 | -9.7 | -8.4 | -8.9 | -10 | -7 | -7.4 | -8.1 | -9 | -6.1 | -8 | -7.6 | -8.3 | -9.9 | -7.6 | -8 | -8.2 | -8.9 | -9.3 | -7.4 | -8.1 | -8 | -8.4 | -8.1 | -8.9 | -6.2 | -8.1 | -10.2 | -9.8 | -9.1 | -9.6 | -8.9 | -8.3 | -8.9 | -7.6 | -9.5 | -9.4 | -7.7 | -8.1 | -8.2 | -6.5 | -7.9 | -8.3 | 0.324784 |
BMBDSBHIOUNEBI-UHFFFAOYNA-N
|
O(CCCCN1C(=O)C2=C(N=C1)C=CC=C2)C=3C=C(OCC)C=CC3
| -8.8 | -9.1 | -8.4 | -9 | -9 | -7.7 | -9.4 | -5.8 | -8.4 | -7.2 | -7.6 | -8 | -5.5 | -8.4 | -8.9 | -7.4 | -7.1 | -7.3 | -8.4 | -8.9 | -8.4 | -7.1 | -7.9 | -8 | -8.1 | -7.7 | -8.4 | -7.6 | -7.5 | -6.9 | -7.6 | -6.8 | -8.2 | -9.1 | -8.9 | -8.2 | -8.7 | -7.5 | -8.3 | -9.2 | -6.7 | -7.1 | -7.7 | -7.9 | -8.2 | -8.1 | -9.3 | -8.7 | -8.2 | -8.1 | -7.4 | -7.6 | -6.8 | -8.1 | -7.1 | -9.3 | -7.8 | -8.9 | 0.588347 |
KQVCWQAFODQDOK-WYUMXYHSNA-N
|
S(=O)(=O)(N(CC)CC)C=1C=C(C=CC1)C(=O)NC=2SCCN2
| -7.8 | -9.2 | -7.9 | -7.6 | -8 | -7.1 | -8 | -6.6 | -8.1 | -7.4 | -7.2 | -6.5 | -6.2 | -7.8 | -7 | -7.7 | -7.3 | -7.1 | -7.6 | -8.5 | -7.3 | -6.6 | -7.1 | -7.7 | -5.6 | -7.8 | -7.4 | -6.5 | -7.7 | -6.7 | -7.9 | -7.5 | -7.3 | -8.3 | -8.2 | -8 | -6.6 | -6.8 | -8.2 | -8 | -6.5 | -6.9 | -8 | -7.5 | -8 | -7 | -7.8 | -7.9 | -8.2 | -6.8 | -8 | -7.4 | -7.1 | -8.4 | -7.5 | -8.1 | -7.8 | -8.6 | 0.881189 |
IPIZQMVAHQCGJK-LILDFLRNNA-N
|
O=C(NC=1C=CC(=CC1)C)C=2C=C(N=CC2)C(C)(C)C
| -8.3 | -9.5 | -8.6 | -9.5 | -9.2 | -7.9 | -9.8 | -6.8 | -8.1 | -7.9 | -8 | -8.3 | -7.5 | -8.7 | -8.6 | -8 | -8.5 | -8 | -8.7 | -9.3 | -8.6 | -7.1 | -7.8 | -8.1 | -7.8 | -8.2 | -8.3 | -7.9 | -8.7 | -7.5 | -8 | -8 | -8.2 | -9.4 | -9.2 | -8.4 | -7.8 | -7.4 | -8.7 | -10.1 | -6.8 | -7.5 | -8.6 | -8.5 | -8.3 | -7.5 | -8.7 | -8.5 | -8.4 | -7.8 | -8.4 | -8.3 | -7.8 | -9 | -7.5 | -9.7 | -7.1 | -8.8 | 0.895985 |
QMFSYNUZYJQESL-UHFFFAOYNA-N
|
FC1=CC=C(C2N(C(=O)CN(C3CCCCCC3)C2=O)CC4=CC=5OCOC5C=C4)C=C1
| -9.8 | -9.1 | -8.9 | -9.2 | -9.6 | -8.1 | -6.5 | -8.3 | -10 | -6.5 | -7.8 | -8.6 | -8.4 | -10.2 | -7.7 | -8.1 | -10 | -8.2 | -11.9 | -11.4 | -6.4 | -8.8 | -9.1 | -9.6 | -7.2 | -9 | -9.6 | -8 | -9.9 | -9.1 | -9.9 | -8.5 | -8.8 | -9.3 | -7.7 | -7.2 | -8.2 | -9 | -11 | -8.3 | -7.7 | -8.7 | -11.3 | -12.2 | -9.1 | -9.5 | -9 | -9.3 | -10.4 | -9.1 | -11.4 | -9.5 | -8.2 | -9.6 | -8.4 | -9.5 | -9.1 | -7.2 | 0.672027 |
VDPNORCJOUDKIY-JLGFQASFNA-N
|
ClC1=C(C(NC(=S)NC=2C=C(OC)C=CC2)=CC=C1)C
| -7.8 | -8.8 | -7.7 | -8 | -8.3 | -7.5 | -8.7 | -6.4 | -8.4 | -7.4 | -7.5 | -8.6 | -6.5 | -8.2 | -7.3 | -6.9 | -7.2 | -7.7 | -7.8 | -8.4 | -8.3 | -6.6 | -7.3 | -7.7 | -7.6 | -7.6 | -8.1 | -8 | -7.9 | -7.7 | -7.6 | -7.7 | -8.1 | -8.8 | -8.4 | -7.7 | -7.3 | -7.4 | -8.1 | -9.3 | -6.4 | -6.6 | -8.1 | -8.2 | -7.5 | -7.4 | -8 | -7.7 | -7.9 | -7 | -8 | -7.7 | -7.6 | -7.9 | -7.2 | -8.9 | -7.2 | -8.4 | 0.819987 |
SRSUNABSDNCYFJ-LNNLXFCONA-N
|
ClC1=CC(NC(=O)C=2C3=C(N4CCCCC4)N=CN=C3OC2C)=C(OC)C=C1OC
| -8.4 | -8.2 | -8.1 | -8.8 | -9 | -8.7 | -5.6 | -7.9 | -8.7 | -6.8 | -7 | -7.2 | -7.4 | -8.7 | -7.3 | -8.2 | -9.2 | -8.5 | -9.3 | -8.6 | -5.7 | -6.8 | -8.4 | -9.5 | -6.6 | -8.6 | -7.8 | -7.2 | -9.5 | -8.4 | -8.9 | -8.3 | -7.5 | -7.9 | -7.5 | -6.1 | -8.9 | -8.1 | -8.3 | -7.9 | -7.7 | -7.1 | -9.5 | -8.9 | -7.5 | -8.7 | -8.7 | -8 | -8.7 | -8.4 | -9.3 | -8.9 | -7.6 | -9 | -8.3 | -7.1 | -8.2 | -6.8 | 0.639227 |
DMTOMYPJDYUMLG-UHFFFAOYNA-N
|
O(C=1N(C(=O)C=2N(CC3=CC=CC=C3)C=NC2N1)C)C=4C=C(OC)C=CC4
| -10 | -9.8 | -8.6 | -9.7 | -9.7 | -8.1 | -9.1 | -7.3 | -9.2 | -7.8 | -8.4 | -8.1 | -7.8 | -9.1 | -8 | -7.9 | -9.4 | -9.1 | -9.7 | -10.2 | -7.7 | -7.4 | -9 | -9 | -6.4 | -8.5 | -9.1 | -7.4 | -9.8 | -8.5 | -8.1 | -8.4 | -9.1 | -9.4 | -7.5 | -8.9 | -8.6 | -7.9 | -8.8 | -9.2 | -7.3 | -7.8 | -9.2 | -9.6 | -9.3 | -8.6 | -10.2 | -8.9 | -9.5 | -9.5 | -9.4 | -9.2 | -8.5 | -8.6 | -8.1 | -10.2 | -8.5 | -8.7 | 0.545785 |
WNVZVJONNMTCPN-PKSOQXRJNA-N
|
S(=O)(=O)(N1CCC(CC1)C(=O)NCCC=2C=C(C=CC2)C)C3=C(ON=C3C)C
| -10.1 | -8.6 | -9.4 | -9.6 | -10.3 | -8.9 | -9.5 | -7 | -9.8 | -7.8 | -9 | -7.3 | -8 | -9.3 | -8.5 | -8.5 | -9.2 | -10.2 | -10.4 | -10.6 | -8.6 | -8.8 | -9 | -9.2 | -8.2 | -8.6 | -9.2 | -9.1 | -10 | -8.5 | -9.1 | -8.2 | -8.5 | -9.4 | -8.3 | -9.2 | -9 | -9 | -9.1 | -9.9 | -7.4 | -7.4 | -9.8 | -9.7 | -10 | -8.8 | -8.8 | -9.7 | -8.9 | -9.2 | -9.6 | -8.8 | -8.8 | -9.3 | -8.7 | -8.6 | -8.7 | -9.4 | 0.796419 |
LWQWFCUOLIANTL-LNNLXFCONA-N
|
FC=1C(N2N=C(C=C2NC(=O)C=3C=CC(OC)=CC3)C4=CC=CC=C4)=CC=CC1
| -9.4 | -8.3 | -9.4 | -11.5 | -10.1 | -9.6 | -5.4 | -8.7 | -9.1 | -9.7 | -9 | -8.5 | -7.7 | -10.1 | -8.5 | -8.8 | -9.3 | -8.4 | -10.2 | -10.9 | -6.4 | -8.1 | -9.2 | -9.4 | -6.8 | -9.2 | -9.4 | -8.2 | -7.8 | -9.8 | -9.9 | -8.8 | -9.6 | -10 | -8.8 | -9.7 | -10 | -9.2 | -10.5 | -10.2 | -7.7 | -8.5 | -11.1 | -10.8 | -11.1 | -10.3 | -9.6 | -8.2 | -9.6 | -9.1 | -10.5 | -10 | -8.7 | -9.9 | -8.8 | -8.6 | -9.3 | -7.5 | 0.527738 |
UUGFSVMWEISVHM-WYUMXYHSNA-N
|
ClC=1C=C(N2N=C(O)C(=C2O)C(C)=C)C=CC1
| -7.5 | -8.3 | -7.9 | -8.5 | -7.8 | -7.2 | -7.4 | -6.3 | -7.6 | -7.3 | -7.7 | -8.4 | -6.6 | -8.2 | -8 | -7.4 | -7.7 | -7.2 | -7.2 | -8.3 | -7.4 | -7.4 | -7.5 | -7.1 | -7.5 | -7.6 | -7.9 | -7.4 | -7.4 | -6.9 | -7.6 | -7.2 | -7.1 | -8.4 | -8.4 | -7.2 | -6.8 | -6.6 | -7.5 | -8.8 | -6 | -7.2 | -7.6 | -7.5 | -7.9 | -7.5 | -8.1 | -7.2 | -8.1 | -7.2 | -7.8 | -7.6 | -7.2 | -7.8 | -7.1 | -8 | -7.2 | -8 | 0.861542 |
UFHNONZYKSJJTQ-ZYMSVLFVNA-N
|
S(CC=1N=C2C(=NC1O)C=C(C(O)N3CCN(CC3)C=4C(F)=CC=CC4)C=C2)CC=5C(F)=CC=CC5
| -10.4 | -10.6 | -9.7 | -10.5 | -11.1 | -10.1 | -6.8 | -7.9 | -10.3 | -8.8 | -9 | -9.7 | -9.1 | -10 | -8.9 | -9.7 | -10.4 | -10.1 | -9.8 | -10.7 | -8 | -8.6 | -10.3 | -11.1 | -7.1 | -9.2 | -9.4 | -8.9 | -10.7 | -8.8 | -9.1 | -9.5 | -10.3 | -10.7 | -8.7 | -10.7 | -10.2 | -9.5 | -9.7 | -10.9 | -8.2 | -8.9 | -10.6 | -11.2 | -10.3 | -10.3 | -11.6 | -10.6 | -10.4 | -9.6 | -10.4 | -10.2 | -8.9 | -9.9 | -9.5 | -7.4 | -9.3 | -10.3 | 0.369424 |
VVHJPEPEMFWRKU-UHFFFAOYNA-N
|
O1C(CN2C(=O)N(CC(=O)C=3C=4C(NC3)=CC=CC4)C(=O)C2=O)=CC=C1
| -9.1 | -9.9 | -9.5 | -9.6 | -9.8 | -8.1 | -9.6 | -7.7 | -9.6 | -8.2 | -8.2 | -7.6 | -7 | -9.5 | -8.9 | -7.6 | -9 | -8.3 | -9.6 | -10.4 | -8.7 | -7.1 | -8.4 | -8.7 | -6.9 | -8.4 | -9 | -7.8 | -9.7 | -7.8 | -9 | -8.7 | -8.4 | -9.7 | -9.2 | -8.8 | -8.2 | -7.3 | -8.7 | -10.1 | -7 | -7.8 | -8.8 | -8.6 | -9.3 | -9.6 | -9.5 | -9.1 | -9.8 | -9.2 | -9.2 | -8.5 | -8.7 | -8.7 | -8.4 | -10.1 | -8.7 | -9.2 | 0.429684 |
VCRPQYJPGYILCZ-VNHAUOCNNA-N
|
ClC=1C(C2NC=3N(N=C(N3)N)C(C2)C=4OC=CC4)=CC=C(Cl)C1
| -9 | -9.2 | -9.2 | -8.7 | -9.8 | -8.7 | -6.5 | -7.5 | -9.4 | -8.9 | -8.8 | -7.9 | -7.9 | -9.6 | -8.8 | -8.4 | -8.8 | -8.7 | -9.2 | -10.2 | -9.3 | -7.8 | -8.3 | -8.9 | -6.5 | -8.4 | -8.7 | -7.6 | -9.1 | -9.3 | -8.9 | -8.1 | -8.5 | -8.6 | -10 | -8.7 | -8.4 | -8.4 | -9.3 | -9.9 | -7.6 | -7.8 | -9.6 | -9.3 | -9.8 | -9.1 | -8.6 | -9.1 | -9.8 | -8.7 | -9.1 | -9.3 | -7.8 | -8.6 | -8.3 | -9.5 | -8.5 | -7.4 | 0.73239 |
KAMDRDMOIHSXAL-YHMJCDSINA-N
|
ClC=1C=CC(NC=2C(N(=O)=O)=CN=CC2)=CC1
| -7.1 | -8.2 | -7.6 | -7.9 | -7.7 | -7 | -7.6 | -6.4 | -7.8 | -7.2 | -7.3 | -7.8 | -6.5 | -7.7 | -6.8 | -6.8 | -7.6 | -7.3 | -7.5 | -8.1 | -7.4 | -7.4 | -6.8 | -6.9 | -7.3 | -6.8 | -7.7 | -7.3 | -7.3 | -6.7 | -7.4 | -6.9 | -7.2 | -8.1 | -8.2 | -7.4 | -6.7 | -6.5 | -7.6 | -9 | -5.9 | -6.6 | -7.5 | -7 | -7.5 | -7.3 | -7.5 | -6.9 | -7.1 | -6.9 | -7.9 | -7.5 | -6.8 | -7.4 | -7.1 | -8.2 | -6.7 | -7.8 | 0.668732 |
NAZZKEZTSOOCSZ-UHFFFAOYNA-N
|
N=1C2=C(C(=CC1)C)C=CC=3C2=NC=CC3
| -7.5 | -9.1 | -7.1 | -9.1 | -7.8 | -8.2 | -8.9 | -6.3 | -8.4 | -8.3 | -7.5 | -7.1 | -6.7 | -8.7 | -8.5 | -7.1 | -6.8 | -7.1 | -8.4 | -8.6 | -7.6 | -7.5 | -7.7 | -7.9 | -7.7 | -7.9 | -9 | -7.7 | -7.6 | -7.4 | -8.2 | -7.1 | -7.3 | -8.8 | -8.8 | -7.8 | -7.6 | -7.4 | -8.2 | -9.7 | -6.4 | -7.5 | -7.5 | -7.6 | -7.9 | -7.4 | -7.4 | -6.9 | -7.9 | -7 | -7.5 | -8.2 | -6.7 | -8.6 | -7.1 | -8.6 | -6.5 | -7.1 | 0.513782 |
NUYNMRQHBNQVHP-UHFFFAOYNA-N
|
O(CC(=O)N1CCCCCC1)C(=O)C2=C(C(=CC=C2)C)C
| -8.5 | -8.9 | -8.8 | -8.5 | -8.7 | -7.8 | -9.3 | -6.1 | -9.2 | -8.1 | -7.7 | -8.4 | -7 | -8.6 | -8 | -7.4 | -8 | -7.6 | -8.5 | -9.4 | -8.9 | -7.8 | -8.1 | -8.1 | -7.9 | -8.3 | -8.4 | -8 | -8.4 | -7.2 | -8.3 | -7.4 | -8.3 | -8.2 | -8.6 | -8.3 | -8.1 | -7.6 | -8.7 | -9.6 | -6.7 | -6.8 | -8 | -9.2 | -8.8 | -7.8 | -8.3 | -8.4 | -8.6 | -7.8 | -8.5 | -7.7 | -7.5 | -8.5 | -7.4 | -9.2 | -7.7 | -9.2 | 0.803841 |
PCZDVGMSXBWHIG-UHFFFAOYNA-N
|
S1C2=C(N3C(=C2)C(SCC=4N=C(OC4C)C=5C=CC=CC5)=NN=C3CC)C=C1
| -9.2 | -9.3 | -9.3 | -9.9 | -10.5 | -8.3 | -7.7 | -7.6 | -9.6 | -7.8 | -8.4 | -9.2 | -8.1 | -9.4 | -8.5 | -8.1 | -9.9 | -8.5 | -9.7 | -10.3 | -6.7 | -7.9 | -9.1 | -9.7 | -7.3 | -8.8 | -9.1 | -8.1 | -9.9 | -9.2 | -8.8 | -7.9 | -9.8 | -10 | -8.1 | -9.6 | -9 | -8.4 | -9.1 | -10.4 | -7.5 | -8 | -9.4 | -10.4 | -9.3 | -9.1 | -10.5 | -9.1 | -9.8 | -8.9 | -9.2 | -9 | -8.3 | -9.4 | -8.2 | -8.9 | -8.3 | -8.4 | 0.34725 |
RIKOXENSRJNRSP-UYBDAZJANA-N
|
BrC1=CC(C(=O)NC=2C=CC(N3CCCC3)=CC2)=C(Cl)C=C1
| -8.4 | -10 | -8.4 | -9.2 | -9.6 | -8.3 | -9.6 | -6.6 | -8.1 | -7.5 | -8.2 | -9.3 | -7.3 | -8.8 | -8.6 | -7.5 | -8 | -8.6 | -8.7 | -9.4 | -6.7 | -7.6 | -7.9 | -8.1 | -6.2 | -8.2 | -8.8 | -7.9 | -9.4 | -7.5 | -7.7 | -8.6 | -8.6 | -9.3 | -7.3 | -8.5 | -8.3 | -7.7 | -8.5 | -8.2 | -7.3 | -7 | -8.4 | -8.5 | -7.9 | -8.5 | -9.1 | -8.8 | -8.5 | -7.1 | -8.4 | -8.4 | -8 | -8.9 | -8.6 | -9.6 | -7.5 | -9.8 | 0.817643 |
CJMZOSQIZSOMOE-LELJVTLKNA-N
|
OC1=C(C(NC=2N=C(C=CC2)C)C=3C(=CC=CC3)C)C=CC4=C1N=C(C=C4)C
| -8.4 | -8.9 | -8.5 | -9.9 | -10.1 | -8.7 | -5.9 | -7.7 | -9.9 | -9.3 | -9.3 | -8.4 | -8.1 | -10.4 | -7.9 | -8.6 | -10.1 | -7.8 | -10.4 | -10.5 | -9.2 | -8.5 | -9.2 | -9.7 | -6.4 | -8 | -8.5 | -9.4 | -6.9 | -9.1 | -9.2 | -8.8 | -7.7 | -9.2 | -10.5 | -8.2 | -8.7 | -9.5 | -10.4 | -10.8 | -7.8 | -8.5 | -10.6 | -10.2 | -10.3 | -9.2 | -9.9 | -8.5 | -10.5 | -8.7 | -10.1 | -9 | -7.9 | -10.3 | -9.8 | -9.9 | -9.5 | -7.1 | 0.501254 |
VUOWLUUSPCSVFE-WYUMXYHSNA-N
|
BrC=1C=C2NC(SCC(=O)C(C)(C)C)=NC2=NC1C
| -7.3 | -8.1 | -7.6 | -7.8 | -7.7 | -6.8 | -8.1 | -6.2 | -7.3 | -6.8 | -6.7 | -7.4 | -6.1 | -7.2 | -6.9 | -6.7 | -7.1 | -7.4 | -7.8 | -7.7 | -7.5 | -6.5 | -7 | -7.3 | -7 | -7.2 | -7.5 | -6.9 | -7 | -6.2 | -6.9 | -6.9 | -7.5 | -8.4 | -7.8 | -7.1 | -7 | -6.7 | -7 | -7.3 | -5.9 | -6.9 | -7.4 | -7.4 | -7.5 | -7.1 | -7.5 | -7.6 | -7.6 | -6.6 | -8.1 | -6.9 | -6.7 | -7 | -7.3 | -7.5 | -7.2 | -8.1 | 0.86365 |
FVKABADMKWVQOG-PKSOQXRJNA-N
|
ClC=1C(NS(=O)(=O)C2=CC=3C(=NC(O)=CC3)C=C2)=C(OC)C=C(OC)C1
| -8.5 | -9.6 | -8.2 | -8.8 | -9 | -8.1 | -8.3 | -7.4 | -9.6 | -8.1 | -7.7 | -9.1 | -7.7 | -8.8 | -7.9 | -8.2 | -8 | -8.2 | -9 | -10.1 | -8.9 | -6.9 | -8.2 | -8.9 | -7.6 | -8.2 | -8.9 | -7.1 | -9.3 | -7.6 | -8.8 | -8.1 | -8.2 | -8.3 | -8.2 | -9.2 | -7.4 | -8.2 | -8.8 | -8.4 | -7.2 | -7.6 | -9 | -8.6 | -9.6 | -9 | -8.5 | -9.1 | -8.3 | -8.1 | -9 | -8.4 | -7.8 | -9.6 | -8 | -9.8 | -8.3 | -7.3 | 0.687747 |
NXGRKAXQHFEYFD-LBOYIXSDNA-N
|
O=C(NCCCC)C1(N(CCCCC1)CC2=C3C(=CC=C2)C(OC)=CC(=C3)C(OCC)=O)C
| -8.3 | -7.2 | -7.1 | -9.6 | -9.1 | -8.2 | -5.5 | -6.8 | -10.6 | -5.5 | -8 | -6.4 | -6.3 | -8.7 | -7.2 | -7.6 | -8.6 | -7 | -8.2 | -9.9 | -5.4 | -6.8 | -7.4 | -8.9 | -5.1 | -7.9 | -8.3 | -6.6 | -7.3 | -7.8 | -8.1 | -8 | -6.6 | -7.8 | -6.3 | -8 | -8.1 | -7.3 | -9 | -8.7 | -6.6 | -6.8 | -9.2 | -8.6 | -6.2 | -8 | -9 | -7.7 | -8.1 | -7.8 | -9.6 | -7.8 | -7 | -9.3 | -8.5 | -9.2 | -8.1 | -6.6 | 0.422906 |
NSUUAWHMTPUKLV-ZBRVNRPFNA-N
|
FC=1C(C(=O)N2[C@H](CCCC2)C(=O)N3[C@@H](CCC3)C(=O)NCC4=CC(OC)=CC=C4)=C(F)C=CC1
| -9.6 | -8.8 | -7.3 | -8.8 | -8.6 | -8.7 | -6.1 | -8.3 | -9.2 | -7.1 | -8.3 | -9 | -8 | -11 | -8.2 | -7 | -9.6 | -8.8 | -10.4 | -9.9 | -6.1 | -7.6 | -9.1 | -10.4 | -6.1 | -8 | -9.4 | -8.2 | -8.3 | -7.9 | -7.4 | -7.7 | -7.3 | -9.5 | -7.8 | -7.8 | -8.9 | -9 | -7.9 | -8.1 | -7.3 | -7.7 | -9 | -10.4 | -7.2 | -8.9 | -8.8 | -9.6 | -8.4 | -9.1 | -10.4 | -8.1 | -8.9 | -9.8 | -8.9 | -7.1 | -8.5 | -7.8 | 0.68138 |
LYUKCOVHAIQWDH-QWOVJGMINA-N
|
S1C(=NC=2C1=CC=CC2)C=3C=C(NC(=O)CSC=4N5C(=NN4)C=CC=C5)C=CC3
| -10 | -10.7 | -9.9 | -10.9 | -11.5 | -9.7 | -7.9 | -8.5 | -9.3 | -8.7 | -8.8 | -10.1 | -9.1 | -10.1 | -10.2 | -9.3 | -10.7 | -9.3 | -10.4 | -10.9 | -7.4 | -9.6 | -9.9 | -10.6 | -7.3 | -8.9 | -9.9 | -9.3 | -10.3 | -9 | -9.5 | -8.6 | -10 | -10.9 | -9.7 | -10.5 | -10.9 | -9 | -10 | -11.4 | -8.1 | -8.9 | -10.4 | -10.2 | -9.6 | -9.8 | -11.4 | -10.3 | -10.7 | -9.6 | -10.3 | -9.4 | -8.3 | -10.2 | -8.9 | -10.8 | -9.8 | -10.5 | 0.418421 |
CBEYPOADIBVSFQ-HCKMINDGNA-N
|
O=C1N(N)C(=NC=2C=CC=CC2)NC3=C1C=CC=C3
| -8.4 | -10.1 | -8 | -9.3 | -9 | -8.2 | -7.9 | -6.4 | -8.7 | -8.3 | -7.6 | -9.1 | -7.6 | -8.8 | -8 | -7.2 | -8 | -8.8 | -8.5 | -9.3 | -8.6 | -7.1 | -7.6 | -8.1 | -8.8 | -8 | -8.4 | -8.4 | -8.7 | -7.4 | -8.4 | -8.3 | -7.5 | -9.5 | -8.5 | -8.3 | -6.9 | -7.3 | -8.8 | -10 | -6.4 | -7.7 | -8.6 | -8 | -8.6 | -8.2 | -9.3 | -8.7 | -8.5 | -7.8 | -9 | -7.8 | -7.7 | -8.6 | -8.4 | -9.1 | -7.6 | -8.1 | 0.639895 |
KZIGQBWZVVVPPZ-CLFYSBASNA-N
|
S=C1N(C(=O)/C(/N1C)=C/C=2SC=CC2)CC
| -6 | -7 | -5.9 | -5.8 | -6.4 | -5.9 | -6 | -4.9 | -7.1 | -6.4 | -6.2 | -5.4 | -5.8 | -6.5 | -5.4 | -5.8 | -5.9 | -6 | -6.3 | -6.5 | -6.6 | -5.6 | -5.9 | -6 | -6.8 | -6.1 | -6.8 | -6.5 | -6.3 | -5.8 | -6.2 | -5.9 | -5.6 | -6.1 | -6.8 | -6.8 | -6.6 | -5.9 | -6.7 | -7.4 | -4.9 | -5.1 | -6.3 | -6.1 | -6.9 | -6 | -6.6 | -6 | -6 | -5.6 | -6.5 | -6.5 | -5.9 | -6.4 | -6.1 | -7.1 | -5.8 | -5.6 | 0.595136 |
GWFZHIVDOUXDJD-LELJVTLKNA-N
|
S1C2C(N=C(SCC(=O)NC=3SC(=C(C3C(OCC)=O)C)C(OCC)=O)N(C2=O)C4=CC=CC=C4)=CC1
| -9.2 | -8 | -7.7 | -9.4 | -9 | -8.1 | -5 | -7.3 | -8.7 | -8.4 | -8.2 | -7.4 | -7.2 | -8.4 | -7.7 | -7.6 | -8.6 | -8 | -8.9 | -9.4 | -5.6 | -6.9 | -8 | -8.9 | -5.5 | -8.8 | -7.9 | -8.5 | -6.3 | -7.8 | -8.5 | -7.8 | -7.9 | -9 | -7.7 | -8.3 | -7.9 | -8 | -9 | -10.6 | -6.8 | -7.3 | -10 | -9.6 | -7.3 | -9.3 | -8.8 | -8.7 | -7.8 | -8.5 | -9.1 | -8.5 | -7.5 | -8.9 | -7.2 | -6.5 | -8.3 | -7 | 0.471028 |
LISXNGBCORULFH-LNNLXFCONA-N
|
S(=O)(=O)(N1CCC(CC1)C(=O)NCC2(N(C)C)CCCCC2)C3=CC=C(C=C3)C(C)C
| -9 | -8.5 | -8.4 | -8.7 | -9.6 | -8.6 | -6 | -7.6 | -9.7 | -7.3 | -8.3 | -8.3 | -7.2 | -9.3 | -7.5 | -7.8 | -8.3 | -8.3 | -10.1 | -9.5 | -6.3 | -7 | -8.8 | -9.4 | -6 | -8.6 | -9.2 | -7.3 | -9.8 | -7.9 | -7.6 | -8.1 | -8.7 | -9.4 | -7.8 | -8.6 | -7.6 | -8.3 | -8.4 | -9.2 | -7.2 | -8.2 | -9.5 | -10.1 | -9.8 | -9 | -8.4 | -9.5 | -8.1 | -8.6 | -9.7 | -7.6 | -8.2 | -8.8 | -7.9 | -8.2 | -8.6 | -7.8 | 0.690632 |
MZEOTZUKMDFVAD-PDJAEHLQNA-N
|
S1C(NC(=S)NC(=O)C=2C=CC(F)=CC2)=C(C(C=3OC(=CC3)C)=C1)C(OCC)=O
| -8.6 | -9.1 | -8.4 | -9.3 | -9.1 | -8.7 | -6.7 | -7.1 | -8.5 | -6.5 | -7.8 | -7.5 | -7.5 | -8.6 | -7.7 | -8.5 | -8.7 | -8.8 | -9.3 | -10.3 | -7.6 | -7.7 | -8.5 | -8.6 | -6.4 | -7.8 | -8.4 | -7 | -9.2 | -7.5 | -8.5 | -8.2 | -8.6 | -8.4 | -8.3 | -8.9 | -8.3 | -7.7 | -8.6 | -10.1 | -6.7 | -7.4 | -8.5 | -9.5 | -6.9 | -8.4 | -8.7 | -9 | -8.7 | -8.3 | -8.8 | -8.3 | -7.9 | -8.5 | -8 | -9.9 | -8.7 | -8.4 | 0.447019 |
PJGLRLNLIOEIOX-LQFNOIFHNA-N
|
O=C1N(N=C(N2C3=C(C=C21)C=C(C=C3)C)C)CC(=O)NCC4=C(OC)C(OC)=CC=C4
| -9.1 | -9.9 | -9.5 | -10.7 | -10.8 | -9.5 | -7.1 | -7.8 | -10.7 | -7.5 | -8.9 | -9.2 | -7.4 | -10 | -8.4 | -8.5 | -9.1 | -8.8 | -10.2 | -10.8 | -7.8 | -7.4 | -9.4 | -10.2 | -6.9 | -9.2 | -9.3 | -8.4 | -9.1 | -8.5 | -9 | -8.3 | -9.4 | -9.5 | -8.5 | -9.1 | -8.9 | -8.6 | -10.2 | -11.3 | -7.8 | -7.9 | -9.8 | -9.6 | -9.5 | -9.3 | -10 | -9.7 | -9.7 | -9.2 | -8.9 | -9.5 | -8.1 | -9.2 | -8.2 | -10.2 | -8.7 | -9.2 | 0.518183 |
FLCFMSJYYMXVDF-BDGWVKIONA-N
|
ClC=1C(C(=O)NC(=O)NC2=CC=3OC(=NC3C=C2)C)=C(Cl)C=CC1
| -9.5 | -9.5 | -9.9 | -9.8 | -10.3 | -8.5 | -8.8 | -8.3 | -8.5 | -8.4 | -8.7 | -8.3 | -7.4 | -8.6 | -8.9 | -8.5 | -9.5 | -8.8 | -9.9 | -10.2 | -6.2 | -7.2 | -8.2 | -9.9 | -6.1 | -9.3 | -9.3 | -8.6 | -9.8 | -7.9 | -8.4 | -8.8 | -9.1 | -9.9 | -8.8 | -8.1 | -9.1 | -7.9 | -9 | -9.1 | -7.1 | -7.4 | -9.3 | -9.7 | -9.4 | -9.2 | -10.3 | -9.6 | -9.4 | -8 | -9 | -9 | -8.8 | -8.2 | -7.7 | -9.9 | -8.2 | -10.2 | 0.705754 |
IUGUNYFRBJXPDW-UHFFFAOYNA-N
|
S(=O)(=O)(NCC1=CC=CN=C1)C2=CC(OC)=C(OC)C=C2
| -7.5 | -7.8 | -7.7 | -8.1 | -8 | -7.5 | -7.6 | -6.4 | -7.8 | -6.6 | -7 | -7.5 | -6.4 | -8.2 | -7.1 | -7.2 | -7 | -7.1 | -7.8 | -8.1 | -7.3 | -6.2 | -6.8 | -7.4 | -7.6 | -6.9 | -7.7 | -6.8 | -7.4 | -7.3 | -7 | -6.7 | -7.3 | -7.7 | -8.5 | -7.6 | -7.5 | -6.5 | -7.2 | -8.5 | -5.9 | -7.2 | -7.3 | -7.8 | -7.8 | -7.7 | -8 | -7.4 | -7.8 | -7.3 | -7.9 | -7.7 | -7 | -7.8 | -6.6 | -8.1 | -6.7 | -7.6 | 0.876363 |
QXMVPKDATXGFFJ-UHFFFAOYNA-N
|
C1=CC=C2C=CC3=C(C(C=4C=CC(=CC4)O)(C=5C=CC(=CC5)O)OC3=O)C2=C1
| -9.7 | -7.6 | -6.8 | -8.3 | -9.7 | -8.6 | -5.8 | -8.3 | -10.7 | -6.7 | -7.6 | -8.3 | -9.5 | -10.4 | -7.2 | -7.1 | -8.8 | -7.2 | -10.5 | -8.2 | -6.7 | -7.2 | -8 | -9.7 | -6.5 | -7.2 | -7.8 | -8.2 | -7.8 | -6.9 | -7 | -8.3 | -7.4 | -9 | -7.6 | -8.6 | -8.7 | -8.3 | -8.1 | -12.8 | -9.1 | -7.9 | -9.4 | -11.2 | -7.7 | -8 | -8.5 | -8.5 | -7.4 | -9 | -7.7 | -6.6 | -7.5 | -9.2 | -8.9 | -7.8 | -8.6 | -7.4 | 0.502859 |
ZSGDBSFUHNUNLB-UHFFFAOYNA-N
|
O1C(CN(CC1C)CCCCOC=2C=C(OC)C=CC2)C
| -7.3 | -8.4 | -7.7 | -7.8 | -7.7 | -6.7 | -8.3 | -5.9 | -7.6 | -6.9 | -6.7 | -7.5 | -6.6 | -7.6 | -7.2 | -6.8 | -6.5 | -6 | -7.5 | -8.3 | -7.6 | -6.2 | -7 | -7.1 | -7.1 | -7 | -7.9 | -7.1 | -7.5 | -6.9 | -7.1 | -6.7 | -7.9 | -7.6 | -7.8 | -8 | -7.3 | -6.6 | -7.1 | -8.1 | -5.7 | -5.7 | -7.6 | -7 | -7.6 | -6.8 | -7.2 | -7.4 | -7.4 | -7 | -7.5 | -7.3 | -6.5 | -7.2 | -6.6 | -8.3 | -6.9 | -7.9 | 0.723268 |
TZWNYANSZLYXSD-GPQMBLKYNA-N
|
S(C(C(=O)NC1=C(F)C=CC=C1)C)C=2OC(=NN2)C3=C(OC=C3)C
| -8.9 | -9.5 | -9.2 | -9.6 | -9.8 | -8.4 | -9.2 | -7.7 | -8.6 | -8.4 | -7.8 | -8.4 | -7.4 | -9.1 | -7.9 | -7.3 | -8.6 | -8.2 | -9.1 | -10 | -8 | -7.7 | -8.3 | -8.5 | -7.4 | -8.1 | -8.4 | -8.5 | -9.2 | -8.2 | -8.4 | -7.7 | -8.4 | -8.9 | -8.7 | -8.4 | -9.1 | -7.9 | -8.5 | -10.2 | -7.2 | -7.6 | -9 | -9 | -9.1 | -8.2 | -9.3 | -9.1 | -8.9 | -8.5 | -8.7 | -8.3 | -8.2 | -8.3 | -8 | -9.6 | -8.2 | -8.9 | 0.705165 |
PLVKZAZSHMHQQG-UHFFFAOYNA-N
|
S1CCN(CC1)CC2=C(C=CC(=C2)C)C
| -7.4 | -7.8 | -7.4 | -6.8 | -7.2 | -6.4 | -6.5 | -5.4 | -7.8 | -6.7 | -6.9 | -7.3 | -5.8 | -7.6 | -6.6 | -6.5 | -6.5 | -6.7 | -7.1 | -7.5 | -6.7 | -6.1 | -7 | -6.6 | -6.9 | -7.1 | -8.1 | -7.1 | -6.9 | -6.5 | -7.2 | -6.3 | -7.4 | -7 | -7.9 | -6.5 | -6.8 | -6.5 | -7.4 | -8.6 | -5.7 | -5.9 | -7.1 | -7.4 | -6.9 | -6.5 | -6.4 | -6.9 | -6.8 | -6.4 | -6.6 | -7.1 | -6.6 | -7.5 | -6.3 | -7.4 | -6 | -7.2 | 0.755271 |
ODSRPAWWFYTFBG-UHFFFAOYNA-N
|
ClC1=CC=C(N(S(=O)(=O)C2=CC=C(OC)C=C2)CC(=O)N(CC3=CC=CC=C3)C)C=C1
| -8.9 | -7.7 | -8.4 | -8.7 | -9.8 | -7.9 | -5.8 | -7 | -9.4 | -7.4 | -7.4 | -7 | -7.2 | -7.9 | -7.7 | -7 | -8.2 | -9.1 | -9.6 | -9.8 | -6 | -7.4 | -8.4 | -8.4 | -5.7 | -8.6 | -7.8 | -7.2 | -9 | -7.4 | -8.2 | -7.4 | -6.3 | -8.8 | -6.5 | -8.3 | -8 | -7.5 | -9 | -10.4 | -6.7 | -8.2 | -9.7 | -9.7 | -9.3 | -9 | -7.7 | -8.3 | -8 | -8.5 | -9.4 | -7.3 | -8.4 | -8.6 | -7.5 | -9 | -8.6 | -7.4 | 0.506987 |
USSCZTVZGCUUCJ-UYBDAZJANA-N
|
ClC1=CC=C(S(=O)(=O)CC(=O)NC=2SC3=C(N2)C=CC(OCC)=C3)C=C1
| -8.6 | -9.1 | -9.3 | -9.4 | -9.1 | -8.4 | -7.7 | -7.1 | -8.8 | -7.1 | -7.8 | -8.3 | -7 | -8.8 | -8.8 | -8.4 | -9 | -8.6 | -9 | -9.6 | -7.5 | -7.1 | -8.7 | -8.9 | -6.1 | -8.1 | -8.5 | -7.3 | -8.2 | -7.4 | -7.8 | -7.9 | -8.8 | -10 | -7.3 | -8.7 | -8 | -7.5 | -8.3 | -9.1 | -7.1 | -7.8 | -8.9 | -8.9 | -8.9 | -8.3 | -9.4 | -8.8 | -8.5 | -7.6 | -8.6 | -8.2 | -7.6 | -8.4 | -8 | -9.5 | -7.9 | -9.5 | 0.668238 |
OCOPUSZEAXNOHR-UHFFFAOYNA-N
|
S1C=2C(N=C1COC(=O)C3=CC=C(N)C=C3)=CC=CC2
| -8.3 | -9.2 | -8 | -8.8 | -8.2 | -7.6 | -8.7 | -6.7 | -8.2 | -7.7 | -7.6 | -8.6 | -6.8 | -8.8 | -8 | -7.2 | -7.9 | -7.7 | -8.3 | -8.9 | -8.1 | -6.9 | -7.5 | -7.7 | -8.3 | -7.8 | -7.8 | -7.8 | -8.2 | -7.3 | -7.7 | -7.5 | -7.8 | -8.5 | -9.6 | -8 | -8 | -7.2 | -8.1 | -9.6 | -7.1 | -7.3 | -8.2 | -8.4 | -8.4 | -8 | -8.6 | -8 | -8.4 | -7.4 | -8.1 | -8.3 | -7.3 | -8.1 | -7.4 | -8.9 | -7.9 | -8.3 | 0.592081 |
BWGXPHSGROWMPK-UHFFFAOYNA-N
|
FC(F)(F)C1=CN(CC(=O)N2CCC=3C2=CC=CC3)C(=O)C=C1
| -9.8 | -10.4 | -9 | -9.4 | -9.6 | -8.5 | -9.4 | -7.6 | -9.6 | -8.7 | -9.2 | -7.8 | -7.9 | -9.6 | -8.2 | -8.4 | -8.3 | -8.4 | -8.9 | -10 | -9.7 | -7.4 | -8.6 | -8.8 | -8.4 | -8.6 | -9 | -9.5 | -9.2 | -8.2 | -8.7 | -8.2 | -8.5 | -9.5 | -10.7 | -8.8 | -9 | -8.1 | -8.6 | -11.1 | -7.7 | -7.8 | -9.3 | -9.8 | -9.4 | -8.7 | -9.6 | -9.4 | -9.7 | -8.3 | -9 | -9.2 | -8.3 | -9 | -8.5 | -10.4 | -8.8 | -9.5 | 0.852241 |
RRMQYIRIKRPGJD-NPVYFSBINA-N
|
O(C1=CC=C(CC)C=C1)CC(ONC(=N)CC2=CC=C(N(=O)=O)C=C2)=O
| -8.8 | -9.2 | -8.5 | -9.2 | -9.2 | -7.2 | -9.4 | -6.2 | -9.7 | -8 | -8 | -9 | -7 | -8.8 | -7.8 | -7.5 | -7.6 | -8.9 | -8.9 | -9.8 | -8.4 | -7.9 | -7 | -8.2 | -7.5 | -7.8 | -8.4 | -8.4 | -8.8 | -7.7 | -8 | -7.3 | -9.5 | -9.5 | -8.7 | -7.9 | -8.1 | -7.9 | -8.9 | -10.2 | -7.2 | -7.6 | -8.8 | -9.1 | -9 | -9 | -9.5 | -9.1 | -9 | -9.3 | -8.9 | -8.7 | -6.7 | -8.2 | -7.6 | -9.4 | -7.3 | -9.4 | 0.340736 |
LELBVVXWCNYFBB-PTFQOADGNA-N
|
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)C=2C(O[C@@H](CCCC1)C)=CC=C(NC(=O)C=3C=CC=CC3)C2)C)CN(CC4=CC=5OCOC5C=C4)C
| -9.3 | -8.8 | -8.7 | -8.3 | -7.7 | -9.8 | 18.2 | -8.9 | -9.2 | -7.6 | -8.7 | -9.1 | -8.8 | -9.2 | -8.2 | -7.7 | -8.8 | -8.8 | -10.1 | -7.8 | -7 | -8.3 | -10.8 | -9.6 | -4.8 | -9.8 | -9.8 | -8.2 | -6.5 | -8.3 | -7.6 | -9 | -8.1 | -8.7 | -9 | -7.1 | -9.3 | -9.4 | -8.5 | -9 | -8.4 | -9.1 | -10 | -12.2 | -6.9 | -9.9 | -9 | -9.3 | -8.5 | -9.9 | -6.4 | -8.9 | -9 | -9.6 | -9 | -6.4 | -8.1 | -8.8 | 0.326294 |
LWTHWWUDJAWPEX-PXHKCMATNA-N
|
O(C1=C(OC)C=C(/C=C/C2=NC=3C(=C(N(=O)=O)C=CC3)C=C2)C=C1)CC(=O)O
| -8.5 | -9.9 | -8 | -10.3 | -9.9 | -8.1 | -10 | -7.9 | -7.9 | -7.1 | -7.9 | -9.8 | -7.2 | -8.3 | -9.3 | -7.8 | -8.9 | -8.5 | -9.6 | -10.2 | -6.4 | -8.4 | -8.1 | -8.9 | -5.5 | -9.1 | -9.8 | -7.6 | -9.3 | -8 | -8.5 | -8.5 | -9.5 | -9.7 | -7.3 | -8.4 | -8.6 | -8.2 | -9 | -8.5 | -7.5 | -8 | -9.7 | -9 | -8.7 | -8.8 | -9 | -9.4 | -9.1 | -8.2 | -8.9 | -8.7 | -6.9 | -9 | -8.3 | -9.7 | -7.5 | -9.1 | 0.490119 |
HABWHUDXHLRKMI-CMLSCEPHNA-N
|
S=C(NCC1=CC=C(OC)C=C1)NN=CC=2C=C(OC)C(O)=CC2
| -6.9 | -8.3 | -8 | -8.1 | -8.6 | -7.3 | -8.2 | -6.6 | -8.7 | -7 | -7.8 | -7.7 | -6.9 | -8 | -7.3 | -7.1 | -8 | -7.1 | -8.2 | -9.6 | -7.6 | -7.3 | -6.9 | -7.9 | -6.1 | -7.3 | -7.6 | -7.5 | -8.2 | -6.9 | -7.5 | -6.8 | -7.7 | -8.8 | -8.5 | -8 | -7.6 | -7.4 | -8 | -9.3 | -6.6 | -6.4 | -8 | -7.9 | -8.6 | -7.2 | -8.8 | -8.6 | -8 | -8 | -8.3 | -8.2 | -6.4 | -7.7 | -7 | -8.9 | -7.1 | -8.5 | 0.424078 |
YLEREYPHKHUBPR-UHFFFAOYNA-N
|
O1C=2C(C(C3C(=O)CCCC3=O)C=4C1=CC=CC4)C(=O)CCC2
| -8.7 | -8.9 | -7.6 | -8.8 | -8.9 | -7.9 | -5.2 | -7.6 | -9.9 | -8.9 | -9.4 | -8.1 | -7.8 | -9.5 | -6.9 | -7.6 | -9 | -7.2 | -9 | -10.6 | -8.4 | -6.2 | -8.4 | -9.3 | -6.2 | -9.4 | -9 | -8 | -8.8 | -8 | -9.1 | -8.1 | -8.1 | -7.8 | -9.9 | -8.5 | -7.8 | -7.4 | -10.8 | -10.9 | -7.3 | -8 | -9.7 | -9.8 | -8.6 | -8.6 | -9.4 | -7.9 | -8.8 | -7.7 | -8.8 | -9.4 | -7.6 | -9.4 | -8.8 | -7.4 | -7.9 | -7.1 | 0.748251 |
SROMDKWDRFNIAZ-UYBDAZJANA-N
|
O=C(N1CCN(CC1)C2=CC=CC=C2)NCC3=CC=C(OC)C=C3
| -8.7 | -9.5 | -8.7 | -9.1 | -9.4 | -8.6 | -7.2 | -7.1 | -8.5 | -7.3 | -8 | -8.1 | -7.5 | -8.4 | -7.6 | -8.1 | -8.9 | -8.6 | -9 | -9.6 | -6.6 | -7.8 | -8.3 | -9.2 | -6.4 | -8.1 | -8.3 | -7.6 | -9 | -7.4 | -7.8 | -7.9 | -8.7 | -9.4 | -7.2 | -8.9 | -7.9 | -7.9 | -8.6 | -8.9 | -7.9 | -7.5 | -9.3 | -9 | -9 | -8.4 | -10.2 | -9 | -8.9 | -7.8 | -8.6 | -8.2 | -7.8 | -8.4 | -7.6 | -9.5 | -7.5 | -8.6 | 0.939962 |
JBADWBYBEBGHSQ-UHFFFAOYNA-N
|
O=C1N(C(=NN1CC(OCC)=O)C)C2=CC=C(C=C2)C
| -7.4 | -8.2 | -7.9 | -7.9 | -8.5 | -7.1 | -7.8 | -7 | -7.4 | -7.4 | -6.6 | -7.2 | -6.5 | -8.2 | -8.1 | -6.9 | -6.8 | -7.3 | -7.2 | -8.8 | -8.2 | -5.9 | -6.9 | -7.4 | -7.1 | -7 | -7.3 | -7.7 | -7.6 | -7 | -7.5 | -6.5 | -8.1 | -7.9 | -7.9 | -7.6 | -6.9 | -6.5 | -7.6 | -9.3 | -6 | -6.8 | -7.5 | -7.4 | -8 | -7.3 | -7.7 | -7.3 | -8.2 | -7.6 | -7.4 | -7 | -6.9 | -7.8 | -7 | -8.4 | -7.4 | -7.8 | 0.786727 |
ADLLCWJBAJRVAT-UHFFFAOYNA-N
|
S(=O)(=O)(NCC1=CC=2CCN(C2C=C1)C(=O)C)C=3C(=CC=CC3)C(F)(F)F
| -9.9 | -10.6 | -10.1 | -10.8 | -10.4 | -8.8 | -10 | -7.6 | -10.2 | -8.3 | -8.7 | -7.9 | -7.6 | -9.7 | -8.9 | -8.4 | -8.4 | -8.2 | -10.3 | -10.5 | -9.7 | -8.4 | -8.9 | -9.7 | -8.2 | -9.3 | -8.8 | -9.4 | -9.4 | -8.5 | -9.1 | -9.6 | -9.1 | -10.2 | -8.6 | -9.2 | -9.8 | -9 | -9.7 | -11.1 | -7.5 | -7.8 | -9.3 | -9.5 | -9.8 | -9.5 | -9.7 | -10 | -9.9 | -8.4 | -10.1 | -9.5 | -7.6 | -9.3 | -8.6 | -11.3 | -8.1 | -10.1 | 0.860826 |
PWDGBFZGNFZPBM-UQWCLGPFNA-N
|
S1C(C2=NN(C=C2/C=N/NC(=O)C=3C=CN=CC3)C4=CC=CC=C4)=CC=C1
| -8.9 | -8.4 | -8.9 | -10.5 | -9.2 | -8.8 | -5.4 | -7.7 | -8.3 | -8.7 | -8.2 | -7.8 | -8 | -9.3 | -8.2 | -8.1 | -8.6 | -8.9 | -9.5 | -10.3 | -6.3 | -7.6 | -8.6 | -8.7 | -7.1 | -8.3 | -8.4 | -7.8 | -8 | -8.6 | -8.6 | -8.1 | -8.7 | -9.4 | -7.8 | -9.5 | -9.5 | -8.6 | -9.7 | -9.2 | -8.2 | -8 | -9.9 | -9.5 | -9.8 | -8.9 | -9.1 | -8 | -9.2 | -8.3 | -9.9 | -8.8 | -7.8 | -8.9 | -8 | -8.9 | -8.9 | -7.9 | 0.427602 |
JQLYWEQGXZIEHD-PJQSKVNONA-N
|
S1C(CN(C(C(=O)NC2CCCC2)C=3C=CC=NC3)C(=O)CNC(=O)C=4OC=CC4)=CC=C1
| -8.2 | -7.9 | -7.6 | -9 | -8.3 | -7.3 | -6.3 | -7.6 | -8.4 | -7.5 | -7.3 | -6.7 | -7.3 | -8 | -6.8 | -6.3 | -8.8 | -7.6 | -8.9 | -8.6 | -7 | -6.8 | -7.8 | -8 | -6 | -7.4 | -7.5 | -7.1 | -8.1 | -7.1 | -7.7 | -6.9 | -6.9 | -8 | -7.1 | -6.7 | -8.1 | -7.7 | -7.1 | -8.7 | -7 | -7.4 | -8.7 | -9.9 | -6.4 | -8.3 | -7 | -7.6 | -8.8 | -8.1 | -8.9 | -7.9 | -7.3 | -7.9 | -7.4 | -5.1 | -8.1 | -6.9 | 0.503564 |
RSVYERVUTYOQAF-PKSOQXRJNA-N
|
S(=O)(=O)(N1CC(CC(C1)C)C)C=2C=CC(=CC2)C(=O)NC=3OC(=NN3)C=4SC=CC4
| -8.5 | -9.9 | -9 | -10.9 | -11.4 | -9.3 | -7 | -8.1 | -9.5 | -8.1 | -8.2 | -9.1 | -8.8 | -8 | -9.2 | -8.8 | -9.8 | -9.3 | -9.6 | -10.1 | -7.5 | -8.5 | -8.9 | -9.4 | -6.2 | -9.7 | -8.7 | -9.8 | -9.4 | -8.6 | -9 | -8.6 | -9.1 | -11.1 | -8.8 | -10.2 | -8.9 | -9.1 | -9.5 | -9.9 | -7.5 | -8.6 | -10.2 | -10 | -9 | -10.2 | -9.8 | -9.9 | -9.8 | -8.4 | -10.5 | -9.4 | -8.1 | -9.9 | -8.7 | -8.8 | -8.7 | -9.4 | 0.640366 |
OQPNFPCQMIHCJI-FQFUPTBWNA-N
|
S(C=1NC=2C(N1)=CC=C(OC)C2)CC(=O)NC=3C=CC=CC3
| -8.6 | -8.8 | -8 | -9 | -8.9 | -7.5 | -9.7 | -7 | -8.4 | -7.5 | -7.8 | -8.2 | -6.8 | -8.8 | -7.6 | -7.7 | -8.1 | -8.1 | -8.2 | -9.4 | -7.9 | -7.3 | -7.7 | -8.3 | -6.9 | -7.2 | -7.8 | -7.5 | -8.6 | -7.3 | -7.7 | -7.4 | -8.8 | -9 | -8.7 | -8.4 | -8.1 | -7.2 | -7.9 | -9.8 | -6.3 | -7.4 | -8.6 | -8.9 | -8.9 | -8.1 | -8.4 | -8.7 | -8.3 | -8.1 | -8.5 | -8.2 | -7.3 | -7.9 | -8.1 | -9.3 | -8 | -8.6 | 0.70927 |
KPNMAWCUMPIIHZ-SPEPDGBUNA-N
|
FC=1C(C(=O)NC(NC(=O)C2=C(F)C=CC=C2)C3=CC(OC)=CC=C3)=CC=CC1
| -9.7 | -8.5 | -8.6 | -9.9 | -10.3 | -8.8 | -6.1 | -7.8 | -10.1 | -8.7 | -9 | -8.8 | -8.3 | -10.4 | -7.8 | -8.6 | -9.1 | -9.4 | -9.9 | -10.8 | -7.8 | -8.1 | -9.1 | -9.5 | -7.2 | -8.9 | -9 | -9.4 | -9.1 | -9.5 | -9 | -8.9 | -8.1 | -9.3 | -10.8 | -9.2 | -8.2 | -9.3 | -10.6 | -10.4 | -7.8 | -8.4 | -10 | -10.9 | -10 | -9.7 | -9.6 | -9 | -9.6 | -9 | -10 | -9.2 | -8.8 | -9.8 | -8.6 | -6.9 | -9.5 | -8.4 | 0.62256 |
YNQBCFSCRJLKMV-LQFNOIFHNA-N
|
ClC=1C=CC(C(=O)NCC(N2CCC=3C(C2)=CC=CC3)C=4OC=CC4)=CC1
| -10 | -10.3 | -9 | -9.9 | -10.2 | -9 | -6.7 | -8.1 | -10.1 | -7.7 | -9.5 | -8.2 | -7.4 | -9.7 | -9.5 | -9 | -9.5 | -9.3 | -9.9 | -10.3 | -8.5 | -8.6 | -8.9 | -9.3 | -6.4 | -9.2 | -9.3 | -9.8 | -9.2 | -8.3 | -9.1 | -8.6 | -9.9 | -9.8 | -10.4 | -9.5 | -8.8 | -8.8 | -10.5 | -10.8 | -7.3 | -8.4 | -10.5 | -10.3 | -9.5 | -9.6 | -10.2 | -9.7 | -9.1 | -9.4 | -9.4 | -9.5 | -8.8 | -10 | -8.7 | -10 | -8.7 | -8.9 | 0.710243 |
DWHBBSJHCOQGDH-PKSOQXRJNA-N
|
S1C(C(=O)N2CCC=3C(C2)=CC=CC3)=C(C(=C1NC(SC)=S)C(OCC)=O)C
| -7.5 | -7.1 | -7.6 | -8.1 | -8.4 | -6.8 | -7.3 | -6.6 | -7.5 | -6.3 | -7.4 | -7.2 | -6.9 | -7.4 | -8.1 | -7.2 | -7.5 | -7.9 | -9.2 | -9.1 | -6.9 | -6.9 | -8 | -8.6 | -5.6 | -7.9 | -8.3 | -6.5 | -7.6 | -7.5 | -7.8 | -8.2 | -7.6 | -7.8 | -6.7 | -6.8 | -7.6 | -7.1 | -7.8 | -8.3 | -6.6 | -7.4 | -8.3 | -8.7 | -8.2 | -8.3 | -7.8 | -7.9 | -7.8 | -8 | -8.3 | -8.5 | -7.2 | -7.6 | -7.5 | -7.9 | -8 | -6.4 | 0.565133 |
IVIYWFORLJOGDS-UHFFFAOYNA-N
|
O(C1=C(OC)C=C(C=C1)C(=O)CC)CC2=CC=CC=C2
| -8.4 | -8.8 | -8.1 | -8.2 | -8 | -7.4 | -8.8 | -6.5 | -8.2 | -7.1 | -7.5 | -7.7 | -6.6 | -8.6 | -7.8 | -6.8 | -7.6 | -8.2 | -7.5 | -8.3 | -7.9 | -7.3 | -7.1 | -7.3 | -7.7 | -7.8 | -8.3 | -7.6 | -7.8 | -7.4 | -7.6 | -7.2 | -8.1 | -8.7 | -9 | -7.7 | -7.3 | -7 | -7.8 | -9.5 | -6.3 | -7.4 | -8.1 | -8.4 | -7.8 | -7.6 | -8.5 | -8.2 | -8.1 | -7.2 | -7.8 | -7.9 | -7.5 | -8 | -7.3 | -9.1 | -7 | -8.1 | 0.74747 |
WJXJUTQPXNUQEP-UHFFFAOYNA-N
|
ClC=1C=C(OCCN2CCN(CC2)C)C=CC1
| -7 | -7.6 | -7.2 | -7.2 | -7 | -6.7 | -7.4 | -5.4 | -7.1 | -6.6 | -6.6 | -7.5 | -5.9 | -7.3 | -6.6 | -6.5 | -6.9 | -7.3 | -7 | -7.9 | -7.2 | -5.9 | -6.6 | -6.7 | -7.1 | -6.8 | -7.2 | -6.5 | -7.1 | -6.5 | -6.9 | -6.4 | -6.9 | -7.8 | -7.6 | -6.6 | -6.7 | -6.5 | -6.9 | -8 | -5.6 | -6 | -6.7 | -6.6 | -7 | -6.3 | -7.1 | -6.7 | -7.1 | -6.5 | -6.6 | -6.9 | -6.5 | -7 | -6.3 | -7.3 | -6.3 | -7.2 | 0.817192 |
RVWRVVJZXSWDBY-UHFFFAOYNA-N
|
ClC=1N=CC(S(=O)(=O)N2CCC(CC2)C(OCC)=O)=CC1
| -7.3 | -7.2 | -8.4 | -7.7 | -8.1 | -6.7 | -5.8 | -6.6 | -8.4 | -7 | -6.5 | -7.6 | -6.2 | -7.2 | -6.8 | -7.1 | -7.2 | -7.1 | -7.5 | -8.1 | -7.5 | -6.7 | -6.9 | -8 | -7.1 | -7.1 | -7.5 | -7 | -7.9 | -7 | -6.9 | -6.5 | -7.1 | -8.2 | -8.5 | -7.2 | -7.2 | -6.9 | -7.6 | -9.2 | -6.2 | -7.2 | -7.8 | -7.7 | -8.1 | -7.4 | -7.6 | -7.2 | -8.1 | -7.6 | -7.6 | -7.3 | -7 | -7.4 | -7.2 | -8.1 | -7.7 | -7 | 0.619267 |
YXTURDGNXCWFHX-OGWUFNIDNA-N
|
O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C([C@H]5[C@@](CC4)([C@@H](O)CC(C5)(C)C)CO)=CC3)C)(CC2)C)(CC1)C)(C)C
| -9.1 | -8.9 | -6.8 | -7.5 | -8.7 | -9.6 | -0.5 | -8 | -10.1 | -7.2 | -8.2 | -8.5 | -7.9 | -6.8 | -7.9 | -6.8 | -8.6 | -8.8 | -9.4 | -7.3 | -7 | -6.6 | -9.5 | -8.3 | -6.3 | -7.4 | -8.5 | -7.8 | -6 | -7 | -6.7 | -8.7 | -6.6 | -7.5 | -7.9 | -5.7 | -7.8 | -9.1 | -7.4 | -8.4 | -8 | -7.7 | -6.7 | -11.3 | -7.4 | -8.5 | -8 | -8.4 | -8.1 | -7.1 | -11.2 | -6.8 | -8 | -7.4 | -9.1 | -7.9 | -8.3 | -7.5 | 0.415354 |
VFBXUSABFIJLPZ-QOWUBOQVNA-N
|
S1C(NC(=O)COC(=O)/C=C/C2=CC=C(N(=O)=O)C=C2)=C(C=C1)C(=O)N
| -8.2 | -9.3 | -8.9 | -9.1 | -9.6 | -8.5 | -8.8 | -7 | -8.3 | -7.3 | -8.8 | -8.6 | -7.6 | -8.8 | -8.5 | -8.3 | -8.6 | -8.2 | -8.9 | -10.4 | -8.6 | -8.2 | -8.4 | -8.6 | -7.6 | -7.8 | -8.3 | -7.9 | -8.8 | -7.4 | -8.4 | -7.1 | -9.2 | -9.2 | -9.5 | -8.9 | -8.8 | -7.8 | -8.5 | -9.7 | -6.9 | -7.3 | -9.1 | -8.5 | -9.4 | -8.1 | -9 | -9 | -8.6 | -7.8 | -8.4 | -8.3 | -7.2 | -8.8 | -7.6 | -9.5 | -7.4 | -8.9 | 0.327752 |
VORJZSTVGWKIKN-PLJOYGPPNA-N
|
ClC=1C=2C(SC1C(=O)NC(=S)NC3=CC=C(S(=O)(=O)NC=4N=CN=C(OC)C4)C=C3)=CC=CC2
| -10.2 | -9.5 | -9.8 | -10.9 | -10.6 | -9.8 | -5.8 | -8.4 | -9.6 | -8.9 | -9.1 | -9.1 | -8.8 | -10.2 | -8.9 | -9 | -9.9 | -9.3 | -10.1 | -10.6 | -7.4 | -8.1 | -9.1 | -10 | -7.1 | -9 | -9.4 | -9 | -10.1 | -8.3 | -8.8 | -8.5 | -9.4 | -10.1 | -8.5 | -11 | -9.4 | -8.7 | -9.4 | -11.1 | -7.7 | -8.4 | -9.7 | -10.3 | -9.4 | -9.6 | -10.1 | -10 | -9.5 | -9.5 | -10.4 | -9.9 | -8.3 | -9.5 | -8.6 | -7.7 | -8.4 | -9.8 | 0.313828 |
VKURBBYMZXDOOA-OHVRXBDENA-N
|
S1C=2N([C@@H](C1)C(=O)NCC3OCCC3)C(O)=C4C2C=CC=C4
| -8.4 | -8.6 | -8.2 | -8.5 | -8.2 | -8.2 | -8.5 | -7.1 | -8.1 | -7.6 | -7.8 | -8.1 | -7.1 | -9.1 | -7.4 | -7 | -7.9 | -7.6 | -9 | -9.2 | -7.8 | -6.7 | -7.8 | -8.3 | -7.2 | -7.8 | -8.8 | -6.8 | -9 | -7.7 | -7.9 | -7.6 | -7.6 | -8.4 | -8.8 | -8.1 | -7.3 | -7.2 | -8.3 | -9.9 | -7 | -7.7 | -8 | -8.5 | -8.4 | -8.1 | -8.1 | -7.9 | -8.4 | -7.9 | -8.6 | -7.8 | -7.7 | -8.5 | -7.6 | -8.8 | -8.4 | -7.5 | 0.911278 |
UOKZHXOELFYVFC-LKHHGCNMNA-N
|
FC=1C(CCNC(=O)C2N(C3=C(C=CC=C3C)C)C(=O)C4=C(NC2=O)C=CC=C4)=CC=CC1
| -9.1 | -8.5 | -7.8 | -8.7 | -10.4 | -8.7 | -6.5 | -8.4 | -10.5 | -7.1 | -7.4 | -7.8 | -8.6 | -9.7 | -7.5 | -8.1 | -9.2 | -9.7 | -11.2 | -10.3 | -6.7 | -8.1 | -9.7 | -10.2 | -7.2 | -8.3 | -9.1 | -8.5 | -8.3 | -7.4 | -7.9 | -8 | -8.4 | -8.1 | -7.8 | -7.9 | -9.2 | -8.4 | -9.2 | -8.6 | -7.5 | -8.5 | -10.3 | -11.6 | -10 | -9.5 | -8.4 | -9.2 | -8.1 | -10.8 | -10.8 | -8.3 | -8.9 | -9.5 | -9.2 | -6 | -10.7 | -8 | 0.587159 |
AYCABGGGECXEHL-MPIMZMORNA-N
|
O(C=1C(N2CCN(CC2)C3=NN(C(=O)C=C3)CC(=O)O)=CC=CC1)C
| -7.9 | -10 | -8.4 | -8.2 | -8.5 | -7.9 | -9 | -7.7 | -7.9 | -6.6 | -8 | -8 | -6.8 | -7.4 | -7.5 | -7.5 | -8 | -7.3 | -9.2 | -10 | -7 | -7.9 | -7.9 | -9 | -5.5 | -8.2 | -8.1 | -6.9 | -9.3 | -7.4 | -8.6 | -8.5 | -8.2 | -8.4 | -7.1 | -7.5 | -8.7 | -7.6 | -8.3 | -7.6 | -7.1 | -7.2 | -8.3 | -8.8 | -8 | -8.2 | -7.9 | -8.5 | -9.8 | -7.5 | -9.4 | -8.2 | -7.6 | -9 | -7.5 | -9.2 | -7.4 | -8.6 | 0.852437 |
XASCNJJHDZYDCA-UHFFFAOYNA-N
|
FC(F)(F)CCC(=O)N1CC(CCC1)(CC=2C(=CC=CC2)C)CO
| -8.3 | -9.5 | -8.2 | -8.8 | -8.2 | -7.6 | -7.5 | -8 | -8.9 | -8.3 | -8.1 | -7.5 | -6.8 | -8.3 | -7.2 | -7.5 | -7.9 | -7.7 | -8.6 | -9 | -8.3 | -6.9 | -8.5 | -8.1 | -7.9 | -8.1 | -8.8 | -7.9 | -8.5 | -7.6 | -8 | -7.7 | -8.6 | -8.4 | -8.6 | -8.6 | -7.3 | -7.9 | -8.4 | -9.5 | -6.9 | -7.5 | -8.7 | -9.4 | -8.9 | -9 | -8.1 | -7.8 | -8.9 | -7 | -8.6 | -8.3 | -8 | -7.6 | -7.5 | -9 | -8 | -7.8 | 0.88914 |
UEXVSBKYGMARMU-PWIKPTQSNA-N
|
S(=O)(=O)(N1C(OCC1)CNC(=O)C(=O)NCCC=2C=3C(NC2)=CC=CC3)C4=CC=C(F)C=C4
| -10.4 | -10.2 | -10 | -9.9 | -11.1 | -9.8 | -7.4 | -7.7 | -10.1 | -8.8 | -8.7 | -9.2 | -8.5 | -10.2 | -9.1 | -8.5 | -9 | -9.9 | -10.8 | -10.7 | -8 | -8.9 | -8.9 | -10.2 | -9.9 | -8.9 | -9.6 | -9.6 | -9.6 | -9 | -9.3 | -7.7 | -10.5 | -10.8 | -9.5 | -10.9 | -9.6 | -9.1 | -9.3 | -11.7 | -8 | -8.9 | -10.1 | -10.2 | -10 | -9.3 | -10.3 | -10.1 | -10 | -9.5 | -9.8 | -9.9 | -9.2 | -10.3 | -10.4 | -9.6 | -8.8 | -10.9 | 0.443591 |
BOSQPBFTYGFYOJ-UYBDAZJANA-N
|
ClC=1C(NC(=O)COC(=O)C2N3C(SC2)(CCC3=O)C)=CC(S(=O)(=O)N(C)C)=CC1
| -7.6 | -9.5 | -8.7 | -10 | -10.1 | -8.3 | -7.9 | -6.9 | -8.6 | -7.8 | -7.9 | -7.4 | -6.5 | -8.5 | -7.2 | -8.1 | -9.4 | -7.6 | -8.8 | -9.2 | -5.7 | -7.3 | -7.7 | -8.2 | -6.3 | -8.4 | -7.3 | -7.9 | -8.4 | -7.7 | -7.9 | -7.9 | -7.7 | -9 | -7.6 | -8.2 | -8.1 | -7.3 | -9 | -9.7 | -7.6 | -7.7 | -8.6 | -8.3 | -8.7 | -8.6 | -8.5 | -9 | -9 | -7.6 | -8.8 | -8.6 | -7 | -8.2 | -7.7 | -9.4 | -8 | -8.1 | 0.620397 |
VTPJMZBVLYCPIM-UHFFFAOYNA-N
|
O(CCCCCNCCO)C=1C(CC)=CC=CC1
| -6.7 | -7.1 | -6.7 | -7.1 | -6.6 | -6.4 | -7.5 | -5.2 | -7 | -6.3 | -6.3 | -6.8 | -5.4 | -7.6 | -6.7 | -5.9 | -5.6 | -5.5 | -6.5 | -7.1 | -6.1 | -5.8 | -6.1 | -6.3 | -6.5 | -6.2 | -6.8 | -6.2 | -6.2 | -6 | -6.4 | -5.9 | -6.7 | -6.8 | -6.9 | -6.4 | -6.4 | -5.8 | -6.5 | -7.8 | -5.2 | -5.5 | -5.9 | -6.4 | -6.5 | -5.9 | -6.5 | -6.2 | -6.5 | -6 | -6.4 | -6.5 | -5.9 | -6.4 | -5.8 | -7.2 | -6.2 | -7.1 | 0.627351 |
DMRUECNSOFVLAW-GPQMBLKYNA-N
|
O(CC1=CC=2C(N=C1O)=CC(=CC2)C)C(=O)C=3OC=CC3
| -8.6 | -9.8 | -8.8 | -9.1 | -9 | -8.2 | -9.2 | -7.1 | -8.9 | -8.1 | -7.7 | -7.9 | -7.2 | -9.4 | -8.7 | -7.3 | -8 | -8.5 | -8.4 | -9.4 | -8.5 | -8.3 | -8.1 | -8.6 | -8.1 | -8.2 | -8.8 | -8.2 | -8.3 | -8.7 | -8.7 | -8 | -8.5 | -9.6 | -9.3 | -8.2 | -8.2 | -7.3 | -8.7 | -10.8 | -7.2 | -7.5 | -9 | -8.7 | -8.6 | -8.3 | -9.2 | -7.9 | -8.9 | -7.4 | -8.7 | -8.9 | -7.6 | -8.9 | -8.1 | -9.5 | -7.9 | -8.8 | 0.747172 |
NBTNNSDMHMNUIE-MPIMZMORNA-N
|
S(C=1N(C2=C(N(C(=O)N(C2=O)C)C)N1)CC3=CC=C(F)C=C3)CC(=O)NCC4OCCC4
| -9.1 | -8.6 | -8.3 | -9.2 | -9 | -7.7 | -6.5 | -7.9 | -9.3 | -8.4 | -7.6 | -7.8 | -8.1 | -8.7 | -7.5 | -8.3 | -8.8 | -8.8 | -9.8 | -10 | -6.9 | -8.6 | -8.9 | -8.9 | -6.1 | -8.3 | -8.6 | -9.1 | -8.2 | -8.7 | -9.1 | -8.3 | -8.4 | -9 | -8.5 | -8.1 | -9.3 | -8.2 | -8.1 | -10.1 | -7.7 | -7.9 | -9.4 | -9.3 | -9.4 | -8.7 | -9.4 | -8.4 | -8.9 | -8.7 | -9.4 | -8.9 | -7.8 | -8.8 | -8.2 | -8.4 | -8.6 | -7.9 | 0.527418 |
KPJSRKNMQZNJER-BAAFCRNDNA-N
|
OC1=NC2=NC(=NC(N)=C2N=C1CC(OC)=O)N
| -7 | -7.4 | -7.4 | -7.1 | -7.1 | -6.9 | -7.5 | -6.5 | -7.6 | -7.4 | -7 | -6.1 | -7 | -6.7 | -7.2 | -6.8 | -6.8 | -6.9 | -7.2 | -8.1 | -6.6 | -6.3 | -6.2 | -7.1 | -6.9 | -6.7 | -6.7 | -6.7 | -7 | -6.7 | -6.8 | -6.3 | -6.5 | -8.5 | -7.5 | -7.2 | -6.4 | -6.2 | -7 | -8 | -5.9 | -6.6 | -6.8 | -6.7 | -7.1 | -7.1 | -7.4 | -6.8 | -6.6 | -7.8 | -7.6 | -7.5 | -6.3 | -6.7 | -6.7 | -7.3 | -7.3 | -6.7 | 0.570001 |
TVIDKOCBLIMSHU-ALOISHPBNA-N
|
O=C(NC=1C=CC(OCC)=CC1)[C@@H](NC(=O)C=2C=CC=CC2)[C@H](CC)C
| -9.4 | -7.7 | -7.8 | -9 | -9 | -7.8 | -7.4 | -6.9 | -8.9 | -8.1 | -8.1 | -7.4 | -6.8 | -8.8 | -7.9 | -7.9 | -8 | -8.5 | -9 | -9.3 | -7 | -7.3 | -7.9 | -8.4 | -5.5 | -8.1 | -8.3 | -8.2 | -8.6 | -8.1 | -7.7 | -7.5 | -7.9 | -8.7 | -8.3 | -8.2 | -8 | -7.8 | -8.7 | -9.6 | -6.3 | -7.3 | -9.2 | -9.2 | -9.2 | -8.1 | -8.8 | -8.3 | -8.2 | -8.1 | -8.7 | -7.6 | -7.1 | -8 | -7.5 | -9.3 | -7.6 | -6.7 | 0.756114 |
GPFXAXIDOYTPCR-UHFFFAOYNA-N
|
O=C1N(C2(NC3=C1C=CC=C3)CCCC2)C4=CC=C(OC)C=C4
| -7.7 | -8.6 | -8.4 | -9 | -8.8 | -8.2 | -5.7 | -7 | -9.2 | -9.2 | -8 | -7.2 | -7.1 | -7.5 | -7.4 | -8.4 | -8.4 | -8.5 | -9.1 | -9.3 | -9.1 | -6.5 | -7.7 | -8.4 | -8 | -8.7 | -10.7 | -8.3 | -9 | -7.6 | -7.7 | -7.9 | -8.1 | -8.6 | -9.9 | -8.2 | -7.4 | -8 | -9.1 | -10.1 | -7.2 | -7.2 | -9.4 | -8.7 | -10.1 | -8.1 | -8.2 | -8 | -8.3 | -7.5 | -9 | -9.7 | -8.4 | -9.2 | -8.1 | -9.7 | -8.3 | -7.6 | 0.910168 |
ITWKHPSSGQHEOP-MPIMZMORNA-N
|
O=C1NC(=O)N(C=2N=C(N3CC(CCC3)C)N(CCCC4=CC=CC=C4)C21)C
| -8.9 | -9.2 | -8.6 | -9.1 | -8.8 | -8.3 | -6.3 | -9 | -10.3 | -8.5 | -7.7 | -7.8 | -8 | -10 | -8.2 | -7.4 | -9.8 | -8.2 | -10.2 | -9.7 | -8.1 | -7.5 | -9.1 | -9.2 | -6.8 | -8.7 | -8.9 | -9 | -7.2 | -8.3 | -8.9 | -9.5 | -7.8 | -8.4 | -8.5 | -7.7 | -8.2 | -8.5 | -8.9 | -10.4 | -7.6 | -8 | -9 | -9.7 | -9.2 | -8.4 | -10 | -8.5 | -9.1 | -9.4 | -9.5 | -8.7 | -7.9 | -9.9 | -9.9 | -8 | -9.1 | -8 | 0.735745 |
VYZCNYUIVOISED-UHFFFAOYNA-N
|
S(=O)(=O)(NC1=C(F)C=CC=C1)C=2C=CC(C(=O)N3CC(OC(C3)C)C)=CC2
| -9.3 | -9.7 | -9.9 | -9.2 | -10.7 | -8.5 | -10 | -7.5 | -9.5 | -8 | -8.5 | -7.5 | -8.2 | -9 | -8.4 | -8 | -9.8 | -9.8 | -9.3 | -9.4 | -6.7 | -8.2 | -8.9 | -9.3 | -6.8 | -8.6 | -8.7 | -9.5 | -9.6 | -8.1 | -7.9 | -8.2 | -8.8 | -9.7 | -7.4 | -8.9 | -7.8 | -8.6 | -9.9 | -9.5 | -7.3 | -8.2 | -9.6 | -9.5 | -10.6 | -9.1 | -9.3 | -10 | -9 | -9 | -9 | -9.3 | -8.1 | -8.9 | -8.2 | -8.9 | -8.7 | -9.1 | 0.868184 |
RPHIAMNJFYVZHV-BDGWVKIONA-N
|
N=1C=CC(NC2=C(C=CC=C2)OC)=NC1NC=3C(=CC=CC3)OC
| -8.4 | -9.2 | -8.6 | -9.1 | -9.3 | -8.1 | -9.4 | -7.1 | -8.8 | -7.7 | -7.9 | -8.2 | -6.7 | -8.5 | -7.4 | -7.8 | -8.2 | -7.7 | -8.7 | -9.2 | -8.1 | -7.4 | -7.8 | -8.3 | -6.1 | -7.7 | -8.3 | -7.5 | -8.8 | -8.3 | -8.4 | -7.8 | -9.2 | -9.6 | -8.4 | -8.7 | -8.4 | -7.8 | -8.7 | -10 | -7.2 | -7.3 | -8.8 | -8.4 | -8.3 | -8.1 | -8.1 | -8.7 | -8.9 | -8.1 | -9 | -8.3 | -7.3 | -8.4 | -7.8 | -8.8 | -7.6 | -9.4 | 0.715251 |
IRQLVUAQNZDIMR-PKSOQXRJNA-N
|
S(=O)(=O)(NC=1C=CC(OCC)=CC1)C=2C=CC(C(=O)NCC3OCCC3)=CC2
| -8.7 | -9 | -9.3 | -9.2 | -9.2 | -8.2 | -7.7 | -7.6 | -9.1 | -8.2 | -7.8 | -9 | -7.2 | -10.2 | -8.7 | -8.3 | -8.3 | -8.4 | -8.6 | -10.1 | -7 | -8.2 | -7.8 | -8.4 | -6.8 | -8.1 | -8.7 | -8.1 | -8.7 | -7.8 | -7.7 | -7.7 | -8.7 | -9.5 | -7.9 | -9 | -8.6 | -7.8 | -8.7 | -10.1 | -6.8 | -7.7 | -9.3 | -9 | -9.2 | -8.7 | -9.7 | -9.3 | -8.5 | -8.4 | -8.8 | -8.1 | -7.7 | -8.5 | -8.8 | -9.2 | -8.3 | -9.4 | 0.705648 |
VFIFYUWFVUZDJX-OLTNGOOLNA-N
|
ClC(Cl)(Cl)C(NC(=O)C=1C(=CC=CC1)C)NC(=S)NC2=CC=C(S(=O)(=O)N)C=C2
| -8.4 | -9.2 | -8 | -9.4 | -9.5 | -7.9 | -5.8 | -7.8 | -9.3 | -7.6 | -7.8 | -7.3 | -8 | -9.3 | -8.1 | -8 | -8.2 | -8.4 | -9.8 | -9.5 | -7.3 | -8 | -8.9 | -8.9 | -6.3 | -8.5 | -8.8 | -8.2 | -8.9 | -8 | -9 | -8.1 | -8.3 | -8.5 | -8.3 | -8.4 | -8.7 | -7.7 | -8.8 | -10.5 | -7.4 | -7.9 | -9.5 | -9.8 | -8.3 | -8.9 | -9.1 | -9.1 | -8.4 | -8.5 | -9.8 | -8.6 | -8.3 | -8.6 | -8.4 | -9.9 | -8 | -7.5 | 0.288 |
AZYYPGUDHGSGSY-QWOVJGMINA-N
|
O1C(CC2=C1C(OCC(=O)NC=3C=C(OC)C(OC)=C(OC)C3)=CC=C2)(C)C
| -8.5 | -8.8 | -9.6 | -9 | -9.7 | -8.2 | -8.5 | -7.2 | -8.5 | -7.2 | -7.6 | -7.2 | -8.9 | -8.4 | -7.2 | -7.8 | -8 | -8.5 | -7.9 | -9.4 | -7.5 | -7.1 | -7.3 | -8.5 | -6.1 | -8.2 | -8.2 | -8.4 | -8.4 | -7.3 | -8.1 | -7.7 | -8.4 | -8.6 | -7.2 | -9.1 | -8.7 | -7.7 | -8.4 | -9.5 | -6.9 | -6.8 | -8.2 | -8.1 | -8.5 | -7.7 | -8.2 | -8.9 | -9.6 | -8.5 | -9.1 | -8.5 | -8 | -9 | -7.4 | -8.6 | -7.7 | -8.6 | 0.784411 |
JQZBIETWWXASBP-LQFNOIFHNA-N
|
S(=O)(=O)(C=1C(CC)=CC=CC1)CC=2OC(=CC2)C(=O)NCCC3=CC=C(C=C3)C
| -9.9 | -9.7 | -9.5 | -10.5 | -10.2 | -9.4 | -8.4 | -7.5 | -10 | -8.6 | -8.8 | -9.1 | -7.8 | -9.5 | -8.3 | -9 | -9.5 | -9.6 | -9.6 | -9.6 | -8.9 | -8.3 | -9 | -9.5 | -8.4 | -9.1 | -8.5 | -9.5 | -9.7 | -8.3 | -8.8 | -7.9 | -9.8 | -10 | -10.2 | -9.6 | -9.2 | -8.4 | -9.1 | -11.3 | -7 | -7.8 | -10 | -9.7 | -9.7 | -8.4 | -10.2 | -10 | -9.4 | -9.3 | -9.2 | -8.5 | -8.2 | -9.3 | -8.6 | -9.7 | -9 | -9.9 | 0.605509 |
SIZWOAIDGFRVJU-UHFFFAOYNA-N
|
S(=O)(=O)(N1CCOCC1)C=2SC(=CC2)C3=NOC=C3
| -7.3 | -8.2 | -7.7 | -7.1 | -7.8 | -7.2 | -7.1 | -6.1 | -8 | -7.1 | -6.6 | -7.5 | -6.6 | -7.6 | -7 | -7.5 | -7.3 | -7.4 | -7.7 | -8.5 | -7.5 | -6.5 | -6.7 | -7.5 | -7.6 | -6.8 | -7.5 | -7.3 | -7.7 | -7.6 | -7.1 | -6.9 | -7 | -8.1 | -7.8 | -7.7 | -6.7 | -6.4 | -7.4 | -8.9 | -6.1 | -6.7 | -7.7 | -7.4 | -7.8 | -7.4 | -7.4 | -7.5 | -7.7 | -7.1 | -8 | -6.9 | -7.2 | -7.3 | -7 | -8 | -6.9 | -7.2 | 0.857002 |
PMKPTEVKXILAGY-QWOVJGMINA-N
|
OCCC1N(C2CCCC2)CCN(C1)CC=3C(=NNC3)C4CCCCC4
| -8.7 | -8.1 | -8.3 | -8.7 | -9.1 | -7.9 | -8.7 | -7 | -8.7 | -7.1 | -8.4 | -7.9 | -6.9 | -8.4 | -6.9 | -7.6 | -8.5 | -8.2 | -8.5 | -9.5 | -7.4 | -6.7 | -8.4 | -8.6 | -6.1 | -8.4 | -7.9 | -6.6 | -8.5 | -7 | -8.1 | -8 | -8.8 | -7.6 | -7.1 | -7.3 | -7.1 | -7.9 | -8.5 | -8.3 | -7.6 | -7.6 | -8.6 | -9.4 | -8.6 | -8.2 | -8.6 | -8.5 | -8.8 | -7.9 | -8.9 | -8.1 | -7.6 | -8.3 | -7.5 | -9.4 | -7.6 | -9.3 | 0.817452 |
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