| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 2101 |
NAU-LAT-0543f7f2-10_1
|
|
CC(=O)NCCOc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−6.8
± 0.3
|
| 2102 |
EDJ-MED-ee07cf00-3_1
|
|
Cn1c2c(cn1)c(=O)n(cn2)CC(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.77
± 0.09
|
| 2103 |
PET-UNK-3bb57da2-2_1
|
|
CN(C)S(=O)(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2104 |
MAT-POS-1f3f1a6f-5_2
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4ccc(c(c4)Cl)Cl)[O-] |
−6.76
± 0.10
|
| 2105 |
MAT-POS-24589f88-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5c(nc6ccccn6c5=O)N7CCOCC7 |
−6.76
± 0.10
|
| 2106 |
EDJ-MED-611d11e7-5_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
−6.76
± 0.09
|
| 2107 |
VLA-UNK-f702bf1c-8_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6[nH]ncn6 |
−6.8
± 0.3
|
| 2108 |
VLA-UNK-8e76d113-3_1
|
|
CO[C@]1(CCNc2c1cc(c(c2C#N)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2109 |
DAR-DIA-9e4459de-15_14
|
|
c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.8
± 0.3
|
| 2110 |
ED_-GRI-5b13fbe2-72_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCO |
−6.8
± 0.2
|
| 2111 |
LON-WEI-4d77710c-5_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(c(c3)OC)OC |
−6.8
± 0.1
|
| 2112 |
EDJ-MED-f893e2a1-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5c[nH]c(=O)o5 |
−6.7
± 0.2
|
| 2113 |
ALP-POS-5bb456a5-2_4
|
|
C[C@H]1C[N@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.7
± 0.3
|
| 2114 |
MAK-UNK-ffc90da7-1_2
|
|
C[C@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.7
± 0.3
|
| 2115 |
ERI-UCB-ce40166b-6_2
|
|
c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)O[C@H]4CCC(=O)N4 |
−6.75
± 0.09
|
| 2116 |
NIR-THE-1e03c142-1_1
|
|
c1ccc2c(c1)cncc2C3=CCC[C@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.7
± 0.2
|
| 2117 |
RAL-THA-b9d6aec1-1_2
|
|
CN(C)S(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.7
± 0.2
|
| 2118 |
MAT-POS-4223bc15-23_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.74
± 0.10
|
| 2119 |
NIR-THE-5be8b355-1_1
|
|
c1ccc2c(c1)cncc2N(CCc3c[nH]c(=O)[nH]c3=O)C(=O)[C@@H]4CCOc5c4ccc(c5)Cl |
−6.74
± 0.07
|
| 2120 |
PET-UNK-022eab87-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CS(=O)(=O)c4c3cc(cc4)Cl |
−6.7
± 0.2
|
| 2121 |
ALP-POS-a577c8a2-3_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](S(=O)(=O)c4c3cc(cc4)Cl)Cc5[nH]ccn5 |
−6.7
± 0.2
|
| 2122 |
PET-UNK-b566c0b0-9_1
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)F)OC)Cl |
−6.7
± 0.2
|
| 2123 |
ALP-POS-347519b5-3_55
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@H]3CC[C@@H]([C@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−6.7
± 0.2
|
| 2124 |
EDG-MED-90036822-94_10
|
|
C[C@H]1C[C@@H]1[C@@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−6.7
± 0.5
|
| 2125 |
MAT-POS-24589f88-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@H]6CCCO6 |
−6.74
± 0.09
|
| 2126 |
EDG-MED-90036822-22_1
|
|
C[C@@](CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C[NH3+])OCCO |
−6.7
± 0.5
|
| 2127 |
MAT-POS-2905de8c-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)[NH3+] |
−6.7
± 0.4
|
| 2128 |
ALF-EVA-5b152d2f-7_1
|
|
c1cc2cncc(c2cc1C3CCC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−6.7
± 0.3
|
| 2129 |
MAT-POS-de59a476-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)OCCN4CCOCC4=O |
−6.7
± 0.4
|
| 2130 |
EDJ-MED-1b5395f9-6_2
|
|
CS(=O)(=O)[N@]1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl |
−6.7
± 0.2
|
| 2131 |
MIC-UNK-bcd487e9-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(Cc3ccco3)c4cccc(c4)Cl |
−6.7
± 0.4
|
| 2132 |
PET-UNK-b87f07d0-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCCNc4nnco4 |
−6.7
± 0.4
|
| 2133 |
ED_-GRI-5b13fbe2-54_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCn5c(c(nn5)C[NH3+])C(F)F |
−6.7
± 0.4
|
| 2134 |
DAR-DIA-5ff57136-7_1
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)C3=CCOc4c3cc(cc4)Cl |
−6.7
± 0.2
|
| 2135 |
RAL-THA-eb6cb89c-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]34CC[C@@H](O3)c5c4cccc5 |
−6.7
± 0.2
|
| 2136 |
BEN-DND-a02b439d-3_2
|
|
COCC[N@H+]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl |
−6.7
± 0.2
|
| 2137 |
BEN-DND-c852c98b-1_1
|
|
c1cc2cncc(c2cc1C#N)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.74
± 0.10
|
| 2138 |
ALP-POS-7c6e02c7-1_1
|
|
CN(C)c1cnc(nc1)N(Cc2ccc(c(c2)Cl)Cl)C(=O)Cc3cncc4c3cccc4 |
−6.7
± 0.4
|
| 2139 |
ALP-UNI-8e43a71e-15_18
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]6[C@@H]5C[C@H](C6)C(=O)N |
−6.7
± 0.3
|
| 2140 |
DAR-DIA-0cde14eb-54_1
|
|
c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)C#N |
−6.73
± 0.09
|
| 2141 |
EDJ-MED-e9a22d5d-2_2
|
|
CNS(=O)(=O)[N@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OCC#C)Cl |
−6.7
± 0.2
|
| 2142 |
DAR-DIA-0d514e7d-3_1
|
|
CC1(COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)C |
−6.7
± 0.3
|
| 2143 |
MAK-UNK-3875bbc8-3_2
|
|
CN(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cccc4 |
−6.7
± 0.2
|
| 2144 |
MAK-UNK-c749d764-12_5
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@H]3O)Cl |
−6.7
± 0.3
|
| 2145 |
LON-WEI-9739a092-8_2
|
|
CN(Cc1cccc2c1cccc2)c3cc(cc(c3)Cl)CC(=O)Nc4cncc5c4cccc5 |
−6.73
± 0.09
|
| 2146 |
DAR-DIA-23e5a6a0-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CCC6([NH2+]5)CCC6)Cl |
−6.7
± 0.4
|
| 2147 |
JOH-SUS-a69c159d-2_2
|
|
c1ccc2c(c1)c(cnc2F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.7
± 0.3
|
| 2148 |
EDG-MED-90036822-74_5
|
|
C[N@@H+]1C[C@@H](C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−6.7
± 0.5
|
| 2149 |
MIC-UNK-9582b2c5-2_2
|
|
CC(=O)N1CC[C@H]2[C@@H](C1)C[C@@H](C(=O)N2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−6.7
± 0.2
|
| 2150 |
DAR-DIA-ecdbc7dd-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH+]5CCC5 |
−6.7
± 0.2
|
| 2151 |
NIR-WEI-f9286bb6-4_2
|
|
CC(C)(C)NC(=O)[C@H](c1cncc2c1cccc2)N(Cc3ccccc3Cl)C(=O)C=C |
−6.72
± 0.08
|
| 2152 |
EDG-MED-ba1ac7b9-18_4
|
|
C[C@H]1Cn2c(ccn2)CN1C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.72
± 0.02
|
| 2153 |
KAD-UNI-b13decd3-11_1
|
|
CS(=O)(=O)CCn1cc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.2
|
| 2154 |
MAT-POS-dd3ad2b5-4_3
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.72
± 0.06
|
| 2155 |
MAT-POS-dc2604c4-3_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CNC5)C#N |
−6.7
± 0.2
|
| 2156 |
MAT-POS-e9e99895-9_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COc4ccc(cc4)C(=O)N |
−6.72
± 0.10
|
| 2157 |
KAD-UNI-877d7bed-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCC[C@H]5C(=O)NC(=O)N5)Cl |
−6.7
± 0.1
|
| 2158 |
EDJ-MED-670ad2ee-11_2
|
|
C[C@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−6.7
± 0.2
|
| 2159 |
ALP-UNI-8e43a71e-13_1
|
|
Cn1c(=O)cc2c(n1)CCN(C2)C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.72
± 0.02
|
| 2160 |
DAR-DIA-0d514e7d-23_1
|
|
C[C@H]1COc2c(cc(cc2N3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.2
|
| 2161 |
EDG-MED-4c68219f-7_1
|
|
C[NH+](C)CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.7
|
| 2162 |
PET-UNK-29afea89-2_1
|
|
CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.716
± 0.008
|
| 2163 |
MAK-UNK-c749d764-10_5
|
|
CSN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−6.7
± 0.4
|
| 2164 |
PET-UNK-c9c1e0d8-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c4)Cl |
−6.72
± 0.09
|
| 2165 |
EDJ-MED-c82a5324-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@H+](Cc4c3cc(cc4)Cl)CC(=O)NC5COC5 |
−6.7
± 0.3
|
| 2166 |
DAR-DIA-0d514e7d-32_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@H]4CO[C@@H]5[C@@H]3C=C(C=C5)Cl |
−6.715
± 0.009
|
| 2167 |
JAG-UCB-571deb56-3_1
|
|
Cc1nccn1Cc2ccc3c(c2)cncc3NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−6.7
± 0.2
|
| 2168 |
MIC-UNK-5a93dd5f-4_2
|
|
CC(=O)NC1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.1
|
| 2169 |
DAR-DIA-0d514e7d-31_5
|
|
C[C@@H]1CCO[C@@H]2C=CC(=C[C@H]2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−6.71
± 0.01
|
| 2170 |
EDJ-MED-139368ae-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cccc4)S(=O)(=O)N5CCC5 |
−6.7
± 0.3
|
| 2171 |
VLA-UNK-5b0345c3-3_1
|
|
c1ccc(cc1)COS(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.7
± 0.1
|
| 2172 |
MAT-POS-24589f88-7_2
|
|
CNC(=O)COc1ccc(cc1OC)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.71
± 0.09
|
| 2173 |
EDJ-MED-009f762b-3_1
|
|
Cn1cc(nn1)C[N@@H+]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−6.71
± 0.09
|
| 2174 |
MAT-POS-dd3ad2b5-4_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.71
± 0.09
|
| 2175 |
ALP-POS-fe871b40-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(c(c4)Cl)Cl |
−6.71
± 0.10
|
| 2176 |
ALP-UNI-3496895b-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)c6ccn[nH]6 |
−6.7
± 0.3
|
| 2177 |
JOH-UNI-50ce7ec3-4_1
|
|
c1ccc2c(c1)c(cnc2C(F)F)N(C(=O)Cc3cccc(c3)Cl)S(=O)(=O)F |
−6.7
± 0.5
|
| 2178 |
MIC-UNK-5a93dd5f-3_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@H+]4CC[C@H]5CCCC[C@@H]5C4 |
−6.7
± 0.2
|
| 2179 |
MAK-UNK-b7886382-4_1
|
|
CC(C)CN(c1ccc(cc1)N(C)C)C(=O)Cc2cncc3c2cccc3 |
−6.7
± 0.3
|
| 2180 |
EDJ-MED-37aac4bd-2_1
|
|
COC[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.70
± 0.09
|
| 2181 |
LON-WEI-4d77710c-36_1
|
|
Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−6.7
± 0.1
|
| 2182 |
MIC-UNK-0a05c952-1_1
|
|
c1ccc2c(c1)cncc2N3[C@@H](C[C@@H](C3=O)c4cccc(c4)Cl)[C@@H]5CO5 |
−6.7
± 0.1
|
| 2183 |
ALP-UNI-3735e77e-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4Cl)Cl |
−6.70
± 0.10
|
| 2184 |
PET-UNK-1320d94d-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCC5 |
−6.7
± 0.3
|
| 2185 |
MAT-POS-dc2604c4-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CCC#N |
−6.7
± 0.3
|
| 2186 |
RUB-POS-1325a9ea-18_1
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)F |
−6.7
± 0.2
|
| 2187 |
RAL-THA-05e671eb-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4Cl)Cl |
−6.7
± 0.4
|
| 2188 |
MIC-UNK-5a93dd5f-4_1
|
|
CC(=O)NC1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.3
|
| 2189 |
DAR-DIA-23aa0b97-19_1
|
|
c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)C#N |
−6.70
± 0.09
|
| 2190 |
MIC-UNK-91acba05-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl |
−6.7
± 0.3
|
| 2191 |
EDG-MED-ba1ac7b9-21_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5Cn6ccnc6 |
−6.70
± 0.06
|
| 2192 |
RAL-THA-8416115c-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5[nH]ccn5 |
−6.70
± 0.10
|
| 2193 |
LON-WEI-4d77710c-40_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCC3=CCCCC3 |
−6.7
± 0.3
|
| 2194 |
ALP-POS-fe871b40-12_1
|
|
CO[C@@]1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.1
|
| 2195 |
ALP-UNI-dbbfd3db-8_1
|
|
c1ccc(cc1)c2nnn(n2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.7
± 0.2
|
| 2196 |
DAR-DIA-53551c05-12_1
|
|
c1ccc2c(c1)cncc2CN3c4cc(ccc4C(=O)C3=O)c5cccc(c5)Cl |
−6.7
± 0.3
|
| 2197 |
EDG-MED-90036822-69_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@](C5)(C[NH3+])F |
−6.7
± 0.6
|
| 2198 |
JAG-UCB-f37eaa14-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)COc5c4cc(cc5)Cl |
−6.7
± 0.3
|
| 2199 |
DAR-DIA-0d514e7d-24_1
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)CC(C)C |
−6.7
± 0.3
|
| 2200 |
MAT-POS-4223bc15-11_4
|
|
C[C@H]1CC[N@](C1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.69
± 0.10
|