Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
201 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.7
± 0.3
|
202 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.7
± 0.4
|
203 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.7
± 0.4
|
204 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
205 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
206 |
ALP-POS-c3a90b22-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.7
± 0.2
|
207 |
ALP-POS-c3a90b22-12_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.7
± 0.2
|
208 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
209 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
210 |
MAT-POS-853c0ffa-15_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.7
± 0.1
|
211 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.4
|
212 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.4
|
213 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.7
± 0.4
|
214 |
MAT-POS-50a80394-6_3
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.6
± 0.3
|
215 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
216 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
217 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
218 |
EDJ-MED-4cb9dd84-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.2
|
219 |
EDJ-MED-4cb9dd84-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.2
|
220 |
MAT-POS-96396902-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.6
± 0.6
|
221 |
MAT-POS-566864e2-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.3
|
222 |
MAT-POS-69786b79-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.6
± 0.4
|
223 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
224 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
225 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
226 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
227 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
228 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
229 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl |
−9.5
± 0.4
|
230 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl |
−9.5
± 0.4
|
231 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−9.5
± 0.4
|
232 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
233 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
234 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
235 |
MAT-POS-e75f6e44-5_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.5
± 0.3
|
236 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
237 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
238 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
239 |
MAT-POS-69786b79-3_2
|
|
CC1(CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.3
|
240 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
241 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
242 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
243 |
EDJ-MED-9f4ac58c-8_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.5
± 0.8
|
244 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
245 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
246 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
247 |
EDG-MED-b1ef7fe3-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−9.5
± 0.1
|
248 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.2
|
249 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.2
|
250 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.5
± 0.2
|
251 |
EDJ-MED-4cb9dd84-3_2
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.5
± 0.3
|
252 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.4
± 0.6
|
253 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.4
± 0.6
|
254 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
255 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
256 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
257 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
258 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
259 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.44
± 0.08
|
260 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
261 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.44
± 0.08
|
262 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
263 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−9.4
± 0.3
|
264 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−9.4
± 0.3
|
265 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.42
± 0.08
|
266 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.42
± 0.08
|
267 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.42
± 0.08
|
268 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.41
± 0.08
|
269 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.41
± 0.08
|
270 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.41
± 0.08
|
271 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.40
± 0.08
|
272 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.40
± 0.08
|
273 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.40
± 0.08
|
274 |
MAT-POS-ddfe83c6-6_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl |
−9.4
± 0.2
|
275 |
LUO-POS-8c3e556a-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−9.4
± 0.3
|
276 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.4
± 0.3
|
277 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.4
± 0.3
|
278 |
EDJ-MED-98c0a822-4_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.4
± 0.4
|
279 |
EDJ-MED-98c0a822-4_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.4
± 0.4
|
280 |
LUO-POS-b4dec3be-2_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.4
± 0.3
|
281 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−9.34
± 0.09
|
282 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@@H+]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−9.34
± 0.09
|
283 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5 |
−9.34
± 0.09
|
284 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.3
± 0.2
|
285 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.3
± 0.2
|
286 |
LUO-POS-868e8996-11_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.3
± 0.3
|
287 |
EDJ-MED-33064c06-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.3
± 0.3
|
288 |
EDJ-MED-33064c06-17_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.3
± 0.3
|
289 |
EDJ-MED-8bb691af-4_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.3
± 0.3
|
290 |
EDJ-MED-33064c06-7_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.3
± 0.1
|
291 |
EDJ-MED-6b23330e-4_2
|
|
CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)O |
−9.3
± 0.4
|
292 |
EDJ-MED-976a33d5-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.3
± 0.1
|
293 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
294 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
295 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
296 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
297 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
298 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.2
± 0.3
|
299 |
MAT-POS-853c0ffa-22_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.2
± 0.1
|
300 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.2
± 0.3
|