Microstates

Showing 6201 through 6300 of 7698
Rank Microstate SMILES ΔG / kcal M-1
6201 RAL-THA-2d450e86-27_1 molecule Cc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl −7.6 ± 0.2
6202 EN300-1708637_1_2_1 molecule C[C@H]([C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.6 ± 0.4
6203 ED_-GRI-5b13fbe2-12_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[N@H+](CCO)CCOCCO −7.6 ± 0.8
6204 EN300-6729572_4_4_1 molecule C[C@H]([C@H]1C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.6 ± 0.3
6205 MAT-POS-f9802937-1_1 molecule CN1c2ccc(cc2[C@@](CC1=O)(C(=O)Nc3cncc4c3cccc4)OC)Cl −7.6 ± 0.3
6206 EN300-256053_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −7.6 ± 0.3
6207 EN300-256053_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −7.6 ± 0.3
6208 EN300-317555_2_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5[NH2+]CCO5 −7.6 ± 0.3
6209 RAL-THA-05e671eb-12_2 molecule Cc1ccc2c(c1)OCC[C@H]2C(=O)Nc3cncc4c3cccc4 −7.6 ± 0.1
6210 RAL-THA-05e671eb-18_1 molecule Cc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.6 ± 0.3
6211 RAL-THA-2d450e86-21_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3C#N)Cl −7.6 ± 0.3
6212 MAK-UNK-8be7dca9-8_1 molecule c1cc2cncc(c2cc1CC(=O)[O-])NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.56 ± 0.09
6213 EN300-174668_2_1_1 molecule CO[C@@]1(CCOC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.6 ± 0.4
6214 DAR-DIA-0d514e7d-32_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@H]4CO[C@@H]5[C@@H]3C=C(C=C5)Cl −7.6 ± 0.3
6215 EN300-16091_3_2_1 molecule CCS(=O)(=O)[N@@]1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.6 ± 0.5
6216 RAL-THA-8416115c-4_2 molecule CCCN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.6 ± 0.3
6217 RAL-THA-2d450e86-19_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3F)Cl −7.6 ± 0.3
6218 EN300-1968342_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CF)O −7.6 ± 0.3
6219 EN300-39504_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCS(=O)(=O)N −7.6 ± 0.3
6220 EN300-256075_1_1_1 molecule C[NH+](C)CCn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.6 ± 0.4
6221 EN300-244403_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CNC(=O)O5 −7.6 ± 0.2
6222 ALP-POS-5bb456a5-3_1 molecule Cn1c(nnn1)C2=CCN(CC2)C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.6
6223 EN300-1248250_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CN(C5)C(=O)N −7.5 ± 0.3
6224 EN300-313267_2_2_1 molecule CN1CCC[C@H](C1=O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.3
6225 ALP-UNI-3735e77e-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)F −7.55 ± 0.10
6226 ALP-UNI-3496895b-15_2 molecule 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 −7.5 ± 0.4
6227 MIC-UNK-5a93dd5f-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4 −7.5 ± 0.5
6228 ED_-GRI-5b13fbe2-33_1 molecule CN(C)CC[NH2+]CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.5
6229 EN300-4293814_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)CCO −7.5 ± 0.3
6230 RAL-THA-05e671eb-5_1 molecule Cc1ccc2c(c1)[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4 −7.54 ± 0.06
6231 EDG-MED-90036822-21_1 molecule C[NH+](C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.3
6232 EN300-325729_1_1_1 molecule COC[C@@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.3
6233 KAD-UNI-8a629cb0-8_1 molecule C[C@@H](C(=O)N)[NH+]1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.4
6234 EN300-6763291_2_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@H]6C[C@@H]5[C@@H]([C@H]6O)O −7.5 ± 0.2
6235 EN300-77778_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCS(=O)(=O)C5 −7.5 ± 0.3
6236 MAT-POS-e9e99895-13_4 molecule C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@H]4CC[N@@H+](C4)C −7.5 ± 0.6
6237 PET-UNK-3c72d439-1_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccn3)Cl −7.53 ± 0.09
6238 MAK-UNK-c749d764-22_2 molecule C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.5
6239 MIC-UNK-5a93dd5f-5_5 molecule CC(=O)N[C@@H]1CC[N@@H+](C1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.5
6240 EN300-4254263_1_1_1 molecule C[n+]1ccn2c1c(c[nH]2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.3
6241 EN300-315854_2_1_1 molecule C[C@@]1(CCNC(=O)C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.2
6242 EN300-67073_1_2_1 molecule CC(=O)N[C@](C)(C1CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.3
6243 NAU-LAT-2fed8305-5_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cs3)Cl −7.5 ± 0.2
6244 KAD-UNI-8a629cb0-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC56CC(C5)(CO6)C(=O)N −7.5 ± 0.4
6245 EN300-6473273_4_1_1 molecule Cn1c(ccn1)[C@@H](C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.5 ± 0.3
6246 RAL-THA-1d44ff04-3_1 molecule CC(=O)NCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −7.5 ± 0.3
6247 EN300-6503702_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CC[C@@H](C5)S(=O)(=O)CC6 −7.5 ± 0.3
6248 EN300-126127_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C6CC6)O −7.5 ± 0.3
6249 LEE-CAM-7ab9b158-4_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CN6C[C@@H](O5)CCC6=O −7.5 ± 0.4
6250 EN300-1265946_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)C(=O)N −7.5 ± 0.3
6251 EN300-7438575_2_2_2 molecule C[C@H]([C@H]1[C@H]2COC[C@H]2ON1)NC(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.3
6252 ALP-POS-d3acb8cc-3_1 molecule C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.2
6253 EN300-1706036_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C(=O)NCCO5 −7.5 ± 0.3
6254 EDJ-MED-ee07cf00-4_1 molecule C[C@@H](C(=O)N[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 −7.5 ± 0.4
6255 EN300-306692_2_1_1 molecule CC(C)(C(=O)N(C)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.3
6256 EN300-49565_2_1_1 molecule CS(=O)(=O)CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.3
6257 EN300-1722226_1_1_1 molecule CCN1C[C@@](C1=O)(C)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.4
6258 ALP-UNI-3496895b-2_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H]5CCC[N@H+]6CCO −7.5 ± 0.5
6259 KAD-UNI-80f122c8-3_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 −7.5 ± 0.5
6260 MAK-UNK-ffc90da7-1_3 molecule C[C@@H](C[NH2+]CCCO)[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 −7.5 ± 0.4
6261 DAR-DIA-23e5a6a0-1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CCC6([NH2+]5)CCC6)Cl −7.5 ± 0.3
6262 RAL-THA-2d450e86-10_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)F −7.5 ± 0.3
6263 EN300-2972220_2_1_1 molecule CC(C)[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −7.5 ± 0.3
6264 EN300-6729747_1_2_2 molecule C[C@H]1NN[C@H]2[N@@H+]1C[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.4
6265 ALP-UNI-b33a865d-1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −7.5 ± 0.4
6266 EN300-152913_3_1_1 molecule CN(C)c1nc(on1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.2
6267 EDG-MED-90036822-9_1 molecule C[NH2+]CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.3
6268 MAK-UNK-c749d764-8_5 molecule c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F −7.5 ± 0.3
6269 EDJ-MED-ee07cf00-7_2 molecule Cc1c(c(=O)ccn1CC(=O)N[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4)[O-] −7.5 ± 0.4
6270 EN300-172640_2_4_1 molecule C[C@H]1[C@H](NC(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.2
6271 EN300-26031_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5NN[C@H]6[N@@H+]5CCC6 −7.5 ± 0.3
6272 MAK-UNK-ffc90da7-3_2 molecule CC(C)OC[C@H](c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl)[NH2+]C −7.5 ± 0.4
6273 RAL-THA-05e671eb-7_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)C#N −7.5 ± 0.3
6274 ALP-UNI-3496895b-4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)c6ccn[nH]6 −7.5 ± 0.3
6275 RAL-THA-05e671eb-11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)F −7.48 ± 0.10
6276 LON-WEI-4d77710c-59_1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)C[C@@H]4CCCO4 −7.5 ± 0.5
6277 DAR-DIA-0d514e7d-32_14 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@H]4CO[C@H]5[C@@H]3C=C(C=C5)Cl −7.5 ± 0.3
6278 VLA-UCB-05e51b3f-1_1 molecule CC(=O)N1CC[NH+](CC1)CC(=O)Nc2cncc3c2cccc3 −7.5 ± 0.5
6279 DAR-DIA-9e4459de-15_12 molecule 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 −7.5 ± 0.7
6280 KAD-UNI-8a629cb0-15_1 molecule CCN1CC[NH+](CC1)C2CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.3
6281 EN300-1387145_1_3_1 molecule CS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.5
6282 DAR-DIA-0cde14eb-55_2 molecule C[C@H](c1cccc(c1)C2(CC2)C)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.3
6283 MAT-POS-e9e99895-3_1 molecule C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@@H]4CCC(=O)NC4 −7.5 ± 0.3
6284 ALP-POS-5bb456a5-7_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 −7.5 ± 0.5
6285 EDJ-MED-ee07cf00-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N −7.5 ± 0.6
6286 MAT-POS-afd4d4fd-3_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3Cl)Cl −7.5 ± 0.3
6287 EN300-36931_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CCOCC5)C(=O)N −7.5 ± 0.3
6288 JOH-UNI-ea72002d-6_1 molecule C=CS(=O)(=O)NN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.5 ± 0.2
6289 DAR-DIA-23e5a6a0-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CC6([NH2+]5)COC6)Cl −7.5 ± 0.3
6290 EN300-5638430_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CS(=O)(=O)C5 −7.5 ± 0.4
6291 EN300-69553_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCn5cncn5 −7.5 ± 0.3
6292 EDG-MED-ba1ac7b9-9_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5c6[nH]ncn6 −7.5 ± 0.2
6293 EN300-1700710_1_1_1 molecule Cn1ccnc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.5 ± 0.2
6294 MIC-UNK-5a93dd5f-6_2 molecule CC(=O)N(C)C1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.4
6295 DAR-DIA-0d514e7d-32_10 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@@H]4CO[C@H]5[C@@H]3C=C(C=C5)Cl −7.5 ± 0.3
6296 RAL-THA-05e671eb-36_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(ccc4)C#N −7.5 ± 0.1
6297 DAR-DIA-0d514e7d-36_1 molecule CC1([C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4)C −7.5 ± 0.3
6298 EN300-31998_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]n5 −7.5 ± 0.2
6299 EDJ-MED-ee07cf00-18_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)CN4CCN(C4=O)C5CC5 −7.5 ± 0.5
6300 EN300-7355737_4_1_4 molecule CN1C=C([C@H](N1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −7.5 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
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