Microstates

Showing 2301 through 2400 of 7698
Rank Microstate SMILES ΔG / kcal M-1
2301 EN300-123614_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)NC(=O)N −10.0 ± 0.3
2302 EN300-54837_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5C(=O)CCCC5=O −10.0 ± 0.3
2303 EN300-1138792_1_1_1 molecule Cn1cnnc1CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2304 EN300-7003350_1_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2305 EN300-7003350_1_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2306 EN300-7003350_1_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2307 EN300-109920_1_1_1 molecule C[C@@H]1CO[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.0 ± 0.5
2308 EN300-7494115_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(=O)[nH]cnc6nc5 −10.0 ± 0.3
2309 EN300-373476_1_2_1 molecule C[C@]1(CCCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2310 EN300-158260_1_1_1 molecule CC(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
2311 EDJ-MED-d203f206-34_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]5CO −10.0 ± 0.3
2312 PET-UNK-cf04cb02-1_2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC[NH2+]4 −10.0 ± 0.4
2313 EN300-188356_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)F −10.0 ± 0.3
2314 EN300-7436306_3_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5[C@H]6COC[C@H]6ON5 −10.0 ± 0.3
2315 EN300-79588_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCS(=O)(=O)N −10.0 ± 0.3
2316 EN300-79588_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCS(=O)(=O)N −10.0 ± 0.3
2317 EN300-71560_1_1_1 molecule COC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2318 EN300-1709410_1_2_1 molecule C[C@H]1C[C@@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.0 ± 0.3
2319 EN300-90225_2_1_1 molecule Cn1nc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2320 ED_-GRI-5b13fbe2-24_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC6C[NH2+]C6 −10.0 ± 0.4
2321 EN300-97300_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5F −10.0 ± 0.2
2322 EN300-1718194_1_2_1 molecule CO[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.0 ± 0.2
2323 EN300-7444533_3_4_1 molecule C[C@H]1C[C@H](C(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2324 EN300-722418_1_1_1 molecule C[C@H](CN(C[C@H](C)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.4
2325 EN300-748981_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCn6c5nnc6 −10.0 ± 0.3
2326 EN300-259694_1_2_1 molecule CCO[C@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2327 EN300-74314_1_1_1 molecule CCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2328 EN300-6762327_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](Cc5ccccn5)O −10.0 ± 0.3
2329 EN300-306026_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)O −10.0 ± 0.2
2330 EN300-7493296_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H]5COC6 −10.0 ± 0.2
2331 EN300-300217_1_2_1 molecule C/C=C/[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
2332 EN300-256053_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)CO −10.0 ± 0.3
2333 EN300-124301_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5ccnn5 −10.0 ± 0.3
2334 EN300-244403_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)O5 −10.0 ± 0.2
2335 EN300-68747_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)C(=O)N −10.0 ± 0.2
2336 EN300-48902_3_2_1 molecule CNC(=O)[C@H]1CCCN1C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2337 EN300-6494606_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −10.0 ± 0.4
2338 EN300-137191_1_1_1 molecule Cc1cc(n(c(=O)n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.0 ± 0.3
2339 EN300-91401_1_1_1 molecule C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2340 EN300-25572_1_1_1 molecule C[C@@H]1CN(CCO1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2341 EN300-1258964_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.0 ± 0.3
2342 MIC-UNK-5a93dd5f-12_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@]4CC[C@H](C4)[NH+]5CCCCC5 −10.0 ± 0.5
2343 EN300-246992_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC(=O)NC5 −10.0 ± 0.2
2344 EN300-259849_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@H](C5=O)O −10.0 ± 0.5
2345 EN300-25446_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnco5 −10.0 ± 0.2
2346 EN300-1725538_1_2_1 molecule Cn1cc(nc1)C[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
2347 EN300-66845_3_2_1 molecule COC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2348 EN300-181938_1_1_1 molecule C[C@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −10.0 ± 0.3
2349 EN300-178288_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@@]6(C5)O −10.0 ± 0.3
2350 EN300-258702_3_1_1 molecule Cn1ccc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2351 EN300-258702_3_1_1 molecule Cn1ccc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2352 EN300-123489_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CO)(F)F −10.0 ± 0.2
2353 EN300-393148_1_1_1 molecule C[N@]1[C@@H](CCS1(=O)=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2354 EN300-127487_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC(=O)NC5 −10.0 ± 0.2
2355 EN300-45049_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCS(=O)(=O)N5 −10.0 ± 0.3
2356 EN300-69162_1_1_1 molecule C[C@@H](COC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2357 EN300-116885_1_1_1 molecule Cc1c(nc(c(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.9 ± 0.3
2358 EDG-MED-90036822-73_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[N@@H+]5CCC6 −9.9 ± 0.3
2359 EN300-181938_1_2_1 molecule C[C@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −9.9 ± 0.3
2360 EN300-10170_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](CO)NC(=O)N −9.9 ± 0.4
2361 MIC-UNK-cdc2493e-8_2 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@H]4CC[C@@H]5CCCC[C@@H]5C4 −9.9 ± 0.4
2362 EN300-342226_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnc[nH]5 −9.9 ± 0.3
2363 EN300-651665_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H]5CCO6 −9.9 ± 0.3
2364 EN300-93573_3_1_1 molecule CN(C)C(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
2365 EN300-66082_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −9.9 ± 0.3
2366 MIC-UNK-d36ab305-2_1 molecule CC(=O)Nc1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
2367 EN300-1720418_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCON5 −9.9 ± 0.3
2368 EN300-246747_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC(=O)NC5 −9.9 ± 0.3
2369 EN300-91401_1_2_1 molecule C[C@H]1CCNC(=O)[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2370 EN300-7494324_3_2_1 molecule Cc1c(nc[nH]1)C[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.9 ± 0.3
2371 EN300-317272_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@H]6CCOC6 −9.9 ± 0.3
2372 VLA-UNK-f702bf1c-5_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@@H]6CCC(=O)NC6 −9.9 ± 0.3
2373 EN300-148515_1_1_1 molecule Cn1c(nnn1)CN(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2374 EN300-148515_1_1_1 molecule Cn1c(nnn1)CN(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2375 EN300-95698_2_2_1 molecule C[C@H]1CC(=O)NC[C@@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.4
2376 EN300-1265071_1_1_1 molecule CN(Cc1cn[nH]n1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2377 EN300-222969_1_1_1 molecule CN1C[C@@H](OC1=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2378 DAR-DIA-0d514e7d-8_1_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −9.94 ± 0.07
2379 EDJ-MED-fcba3f31-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCC(=O)N5 −9.9 ± 0.3
2380 EN300-47500_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCCn5cccn5 −9.9 ± 0.4
2381 EN300-341337_2_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56CCO[C@H]5CCOC6 −9.9 ± 0.3
2382 MIC-UNK-16ccb665-1_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC(F)F −9.9 ± 0.3
2383 EN300-124918_1_1_2 molecule CN1C(=O)N[C@H]([NH2+]1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2384 EN300-249421_3_2_1 molecule C[C@H]([C@@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2385 EN300-95698_1_2_1 molecule C[C@H]1CC(=O)NC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2386 EN300-54304_3_1_1 molecule CCOCCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
2387 EN300-05754_4_1_1 molecule C[C@@H](C(=O)N1CCOCC1)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.4
2388 EN300-332601_3_2_1 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −9.9 ± 0.3
2389 ALP-POS-ce760d3f-6_1 molecule COc1ccc2cncc(c2c1)NC(=O)C3=CCOc4c3cc(cc4)Cl −9.9 ± 0.3
2390 EDJ-MED-fcba3f31-6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCNC5=O −9.9 ± 0.3
2391 EN300-50228_1_2_1 molecule c1ccc(cc1)C(=O)N[C@H](CO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3
2392 EN300-146174_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)CO −9.9 ± 0.2
2393 DAR-DIA-0d514e7d-4_1_1 molecule C[C@H]1COc2c(cc(cc2OC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.2
2394 EN300-7355519_1_5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@@H]6[C@H](O5)CCO6 −9.9 ± 0.3
2395 EN300-1448603_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)C5 −9.9 ± 0.3
2396 EN300-1448603_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)C5 −9.9 ± 0.3
2397 ED_-GRI-5b13fbe2-55_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@]5(C[NH2+]C[C@@H]5CO)F −9.9 ± 0.4
2398 EN300-208959_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)C[C@H]5C(F)(F)F −9.9 ± 0.3
2399 ED_-GRI-5b13fbe2-26_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC6CC(C6)[NH3+] −9.9 ± 0.3
2400 EDJ-MED-ee07cf00-6_4 molecule Cn1cc(cn1)C2=NO[C@H](C2)C(=O)N[C@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.5
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty