Compounds

Showing 101 through 200 of 321
Rank Compound SMILES ΔG / kcal M-1 pIC50
101 ALP-POS-ecbed2ba-21 molecule CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.9 ± 0.2 7.2 ± 0.2
102 MIK-ENA-37e0b697-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.2 ± 0.1
103 MAT-POS-1d5ab790-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.9 ± 0.2 7.2 ± 0.1
104 EDJ-MED-b6c6ee2b-4 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.9 ± 0.4 7.2 ± 0.3
105 BEN-BAS-c2bc0d80-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 −9.85 ± 0.06 7.18 ± 0.04
106 PET-UNK-77d5678a-6 molecule COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.83 ± 0.09 7.16 ± 0.07
107 MAT-POS-853c0ffa-20 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl −9.8 ± 0.3 7.1 ± 0.3
108 MAT-POS-50a80394-4 molecule CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −9.8 ± 0.2 7.1 ± 0.2
109 PET-UNK-77d5678a-5 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.8 ± 0.1 7.13 ± 0.08
110 ALP-POS-ecbed2ba-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.8 ± 0.4 7.1 ± 0.3
111 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.8 ± 0.6 7.1 ± 0.4
112 MAT-POS-853c0ffa-16 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −9.7 ± 0.3 7.1 ± 0.2
113 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −9.74 ± 0.08 7.09 ± 0.06
114 MAT-POS-e48723dc-2 molecule CNC(=O)C1(CC1)N2C[C@@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.7 ± 0.2 7.1 ± 0.1
115 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.7 ± 0.6 7.1 ± 0.4
116 VLA-UNK-61877630-10 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F −9.7 ± 0.3 7.1 ± 0.3
117 VLA-UNK-f702bf1c-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6cc[nH]n6 −9.7 ± 0.2 7.1 ± 0.1
118 EDJ-MED-98c0a822-4 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.7 ± 0.2 7.1 ± 0.1
119 ALP-POS-ecbed2ba-16 molecule CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.7 ± 0.7 7.1 ± 0.5
120 MAT-POS-ec6d90b7-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −9.63 ± 0.05 7.01 ± 0.04
121 EDJ-MED-9f4ac58c-4 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.6 ± 0.7 7.0 ± 0.5
122 BEN-BAS-c2bc0d80-7 molecule CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.62 ± 0.08 7.01 ± 0.06
123 MAT-POS-90505e2b-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)OC3=O −9.62 ± 0.05 7.00 ± 0.04
124 EDG-MED-b1ef7fe3-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl −9.6 ± 0.2 7.0 ± 0.1
125 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.6 ± 0.1 7.0 ± 0.1
126 PET-UNK-7e9559de-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −9.6 ± 0.2 7.0 ± 0.1
127 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −9.52 ± 0.07 6.93 ± 0.05
128 PET-UNK-94036022-13 molecule C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −9.5 ± 0.4 6.9 ± 0.3
129 EDJ-MED-976a33d5-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −9.5 ± 0.2 6.9 ± 0.1
130 MIK-ENA-5d9157e9-2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.4 ± 0.4 6.9 ± 0.3
131 LUO-POS-b5068a05-2 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N −9.4 ± 0.3 6.9 ± 0.2
132 PET-UNK-94036022-9 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.4 ± 0.3 6.9 ± 0.2
133 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −9.4 ± 0.2 6.8 ± 0.1
134 VLA-UNK-61877630-6 molecule CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F −9.4 ± 0.2 6.8 ± 0.1
135 MAT-POS-ec6d90b7-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O −9.39 ± 0.05 6.84 ± 0.04
136 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.4 ± 0.1 6.8 ± 0.1
137 EDJ-MED-5cd3920d-2 molecule c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.3 ± 0.4 6.8 ± 0.3
138 PET-UNK-77d5678a-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.3 ± 0.1 6.80 ± 0.08
139 EDJ-MED-5cd3920d-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F −9.3 ± 0.4 6.8 ± 0.3
140 EDJ-MED-7d88f880-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=N)(=O)C)c6cc(ccc6C2=O)Cl −9.3 ± 0.2 6.8 ± 0.2
141 MAT-POS-c2d406ed-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −9.3 ± 0.3 6.7 ± 0.2
142 MAT-POS-853c0ffa-14 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −9.3 ± 0.4 6.7 ± 0.3
143 ALP-POS-ecbed2ba-19 molecule CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.2 ± 0.3 6.7 ± 0.2
144 MAT-POS-1d5ab790-1 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.2 ± 0.4 6.7 ± 0.3
145 MAT-POS-1d5ab790-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −9.2 ± 0.2 6.7 ± 0.2
146 VLA-UNK-61877630-8 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N −9.2 ± 0.4 6.7 ± 0.3
147 VLA-UNK-f702bf1c-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −9.2 ± 0.1 6.7 ± 0.1
148 MAT-POS-38eb6498-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −9.1 ± 0.4 6.6 ± 0.3
149 EDJ-MED-7587a9ee-3 molecule CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −9.1 ± 0.2 6.6 ± 0.1
150 MAT-POS-94643566-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.08 ± 0.04 6.61 ± 0.03
151 VLA-UCB-05e51b3f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
152 VLA-UCB-50c39ae8-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
153 BEN-BAS-c2bc0d80-6 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
154 EDJ-MED-ede5c6cb-2 molecule c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CCC5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl −9.1 ± 0.2 6.6 ± 0.1
155 ALP-POS-4483ae88-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl −9.1 ± 0.2 6.6 ± 0.2
156 PET-UNK-94036022-10 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.0 ± 0.3 6.6 ± 0.2
157 12_-111-3e02a1cd-2 molecule COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.57 ± 0.08
158 MAT-POS-853c0ffa-22 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −9.0 ± 0.3 6.5 ± 0.2
159 VLA-UNK-61877630-5 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl −9.0 ± 0.1 6.54 ± 0.09
160 MAT-POS-853c0ffa-15 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.5 6.5 ± 0.3
161 EDJ-MED-b6c6ee2b-1 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −8.9 ± 0.4 6.5 ± 0.3
162 ALP-POS-ecbed2ba-3 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.9 ± 0.3 6.5 ± 0.2
163 MAT-POS-c2d406ed-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=S −8.9 ± 0.3 6.5 ± 0.2
164 PET-UNK-7e9559de-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −8.9 ± 0.2 6.5 ± 0.1
165 EDJ-MED-fed7ac0b-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.9 ± 0.7 6.5 ± 0.5
166 VLA-UNK-f2612802-3 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl −8.9 ± 0.2 6.5 ± 0.2
167 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.9 ± 0.1 6.47 ± 0.08
168 VLA-UNK-f702bf1c-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 −8.9 ± 0.2 6.5 ± 0.1
169 EDJ-MED-fd8ed875-6 molecule CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=CN(C3=O)c5cncc6c5cccc6)F −8.9 ± 0.2 6.4 ± 0.2
170 EDJ-MED-468565e0-3 molecule c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.8 ± 0.6 6.4 ± 0.4
171 MAT-POS-853c0ffa-21 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −8.8 ± 0.3 6.4 ± 0.2
172 ALP-POS-ecbed2ba-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N −8.8 ± 0.4 6.4 ± 0.3
173 PET-UNK-94036022-6 molecule C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −8.8 ± 0.4 6.4 ± 0.3
174 MAT-POS-1bed62cf-2 molecule CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.8 ± 0.1 6.42 ± 0.08
175 PET-UNK-77d5678a-3 molecule COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.8 ± 0.1 6.42 ± 0.07
176 ALP-POS-ecbed2ba-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N −8.8 ± 0.3 6.4 ± 0.2
177 EDJ-MED-98c0a822-2 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −8.8 ± 0.3 6.4 ± 0.2
178 MAT-POS-853c0ffa-7 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −8.8 ± 0.4 6.4 ± 0.3
179 EDJ-MED-ede5c6cb-1 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −8.7 ± 0.2 6.4 ± 0.1
180 MAT-POS-853c0ffa-8 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −8.7 ± 0.3 6.4 ± 0.2
181 JOH-MSK-ccc6e4c0-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(c(c5)Cl)Cl)S(=O)(=O)CC6(CC6)C#N)NC3=O −8.7 ± 0.2 6.4 ± 0.2
182 VLA-UNK-61877630-4 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl −8.7 ± 0.1 6.36 ± 0.09
183 PET-UNK-94036022-14 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −8.7 ± 0.2 6.4 ± 0.1
184 BRU-THA-73c97d88-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C=N3 −8.71 ± 0.06 6.35 ± 0.05
185 VLA-UNK-3a43cd95-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −8.70 ± 0.09 6.33 ± 0.06
186 PET-UNK-94036022-3 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −8.7 ± 0.2 6.3 ± 0.2
187 VLA-UCB-34f3ed0c-15 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CCNCC6 −8.7 ± 0.4 6.3 ± 0.3
188 BRU-THA-55eab31a-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCNc5c4cc(cc5)Cl)C=N3 −8.68 ± 0.08 6.32 ± 0.06
189 MAT-POS-c2d406ed-2 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −8.7 ± 0.3 6.3 ± 0.2
190 MAT-POS-2e8b2191-8 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −8.6 ± 0.1 6.29 ± 0.10
191 VLA-UNK-f702bf1c-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCC(=O)NC6 −8.6 ± 0.2 6.3 ± 0.1
192 ALP-POS-ecbed2ba-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N −8.6 ± 0.7 6.3 ± 0.5
193 EDJ-MED-fed7ac0b-4 molecule CNC(=O)CN1CC2(C=NN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.6 ± 0.1 6.25 ± 0.08
194 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −8.6 ± 0.2 6.2 ± 0.1
195 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.5 ± 0.2 6.2 ± 0.1
196 EDJ-MED-f9b78f78-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −8.5 ± 0.1 6.22 ± 0.09
197 EDJ-MED-7587a9ee-1 molecule CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 −8.5 ± 0.1 6.21 ± 0.08
198 LUO-POS-d1147590-1 molecule CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.5 ± 0.8 6.2 ± 0.6
199 MAT-POS-b4d6b7fc-7 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −8.5 ± 0.3 6.2 ± 0.2
200 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −8.44 ± 0.09 6.15 ± 0.06
Last updated 2022-01-15T00:44:38.149510+00:00
Generated by fah-xchem version pre-sprint-5+122.gaf80f5c.dirty