Microstates

Showing 4301 through 4400 of 11295
Rank Microstate SMILES ΔG / kcal M-1
4301 EN300-98648_4_2 molecule CN1CC[C@H](C1=O)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4302 EN300-98648_4_2 molecule CN1CC[C@H](C1=O)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4303 EN300-13668_1_1 molecule CN(CC(=O)NC1CC1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4304 EN300-72211_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CC5)O −9.8 ± 0.3
4305 EN300-223491_4_1 molecule Cn1cnn(c1=O)CCC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4306 EN300-1448603_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCS(=O)(=O)C5 −9.8 ± 0.3
4307 EN300-1448603_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCS(=O)(=O)C5 −9.8 ± 0.3
4308 EN300-1703015_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)Nc5[nH]ccn5 −9.8 ± 0.2
4309 EN300-657320_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CSCC(=O)N5 −9.8 ± 0.4
4310 EN300-79180_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O −9.8 ± 0.4
4311 EN300-1702677_1_1 molecule CN1CC2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(C1=O)(F)F −9.8 ± 0.3
4312 EN300-7355477_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]([C@H](C[C@@H]6C5)O)O −9.8 ± 0.3
4313 EN300-05754_2_2 molecule C[C@H](C(=O)N1CCOCC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4314 EN300-238405_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CC(=O)NC5 −9.8 ± 0.3
4315 EN300-6729572_4_1 molecule C[C@@H]([C@@H]1C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.4
4316 EN300-304662_3_1 molecule Cc1nnc(o1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4317 EN300-205779_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@@H]5CCC(=O)N5 −9.8 ± 0.3
4318 EN300-02067_3_2 molecule C[C@H](COC)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4319 EN300-385132_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]c(nn5)C6CCOCC6 −9.8 ± 0.3
4320 EN300-20233_2_1 molecule COCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
4321 EN300-6764836_2_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CC6[C@@H]([C@H](C5O6)O)O −9.8 ± 0.3
4322 EN300-341337_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CCO[C@@H]5CCOC6 −9.8 ± 0.4
4323 EN300-1387145_1_2 molecule CS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.8
4324 EN300-6974806_2_1 molecule C[C@H]([C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −9.8 ± 0.3
4325 EN300-103187_3_1 molecule CCOCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.4
4326 EN300-28177_2_2 molecule C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4327 EN300-177118_2_1 molecule C[C@@]1(CCC(=O)N1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4328 EN300-60514_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)S(=O)(=O)N −9.8 ± 0.4
4329 EN300-1600517_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CO)F −9.8 ± 0.4
4330 EN300-71125_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6cnnc6C5 −9.8 ± 0.3
4331 EN300-3044054_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5C6CC6 −9.8 ± 0.3
4332 EN300-220228_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6ccnn6c5O −9.8 ± 0.3
4333 EN300-741926_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@@H](C5)F)O −9.8 ± 0.3
4334 EN300-64536_2_1 molecule COCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
4335 EN300-122340_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCSCC5)O −9.8 ± 0.5
4336 EN300-7543383_1_2 molecule CN1C(=O)[C@H](CO1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4337 EN300-33553_1_1 molecule Cc1c(c(=O)[nH]cn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4338 EN300-1262608_2_1 molecule CCNC(=O)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4339 EN300-93474_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@H](C=C5)CO −9.8 ± 0.2
4340 EN300-1988306_1_1 molecule CS(=O)(=O)CCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.4
4341 EN300-35642_1_1 molecule CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −9.8 ± 0.4
4342 EN300-12440_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)C6CC6 −9.8 ± 0.3
4343 EN300-237224_2_1 molecule CN1CCC(CC1)OCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4344 EN300-307658_2_1 molecule C=C[C@H](CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4345 EN300-650518_2_1 molecule CO[C@@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4346 EN300-7355519_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 −9.8 ± 0.5
4347 EN300-221122_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(c6cnn[nH]6)O −9.8 ± 0.4
4348 EN300-67533_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](C5CC5)O −9.8 ± 0.3
4349 EN300-18064_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC5 −9.8 ± 0.3
4350 EN300-6764450_1_1 molecule CNC(=O)N1CCC(CC1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4351 EN300-1068239_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cnon5 −9.8 ± 0.3
4352 EN300-260603_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5c[nH]c(=O)[nH]5 −9.8 ± 0.3
4353 EN300-102347_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5(COC5)CO −9.8 ± 0.2
4354 EN300-260760_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cc(=O)[nH][nH]5 −9.8 ± 0.2
4355 EN300-7459540_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5[C@@H](CO)O −9.8 ± 0.5
4356 EN300-10729_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCNC(=O)N −9.8 ± 0.3
4357 EN300-1268016_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@@H]6[C@@H]5C[C@@H](C6)C(=O)N −9.8 ± 0.3
4358 EN300-7438575_2_2 molecule C[C@H](C1=NO[C@H]2[C@@H]1COC2)NC(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
4359 EN300-321597_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H](C5)O −9.8 ± 0.3
4360 EN300-7543132_1_1 molecule CN(C)CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4361 EN300-7543132_1_1 molecule CN(C)CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4362 EN300-649738_1_1 molecule Cc1c(n(nn1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4363 EN300-22880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC[C@@H](C5)C(=O)N −9.8 ± 0.3
4364 EN300-23129_2_1 molecule CC(=O)NCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4365 EN300-67050_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)CC5 −9.8 ± 0.3
4366 EN300-246423_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC5(CCC5)O −9.8 ± 0.3
4367 EN300-313438_2_1 molecule Cn1c2c(cn1)c(ncn2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
4368 EN300-253187_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5COCO5 −9.8 ± 0.3
4369 EN300-1073320_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5(CCC5)O)O −9.8 ± 0.3
4370 EN300-6746631_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nnc6n5CCCC6 −9.8 ± 0.3
4371 EN300-247343_3_1 molecule CC1(CC(C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.3
4372 EN300-46832_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC[C@H]5CCOC5 −9.8 ± 0.3
4373 EN300-71126_1_1 molecule Cc1nnc2n1CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
4374 EN300-65839_4_1 molecule CC[C@@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.4
4375 EN300-36911_3_1 molecule CNC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4376 EN300-1215738_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@@H]5CCC(=O)NC5 −9.8 ± 0.4
4377 EN300-1915260_2_2 molecule COC[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.8 ± 0.4
4378 EN300-100180_1_1 molecule CC(=O)N1CC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.5
4379 EN300-633533_4_1 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −9.8 ± 0.4
4380 EN300-7438451_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCn6c(nnn6)C5 −9.8 ± 0.3
4381 EN300-171605_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC5CS(=O)(=O)C5 −9.8 ± 0.3
4382 EN300-31186_3_1 molecule CCC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4383 EN300-08033_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCS(=O)(=O)C5 −9.8 ± 0.3
4384 EN300-370182_2_1 molecule Cn1c(nnn1)CCCNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4385 EN300-1726073_2_1 molecule Cn1c(cnn1)C(C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −9.8 ± 0.3
4386 EN300-05512_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N[C@@H]5CCS(=O)(=O)C5 −9.8 ± 0.5
4387 EN300-113633_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC(=O)NC5=O −9.8 ± 0.3
4388 EN300-76451_2_4 molecule CO[C@H]1COCC[C@H]1NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4389 EN300-55355_1_2 molecule CNC(=O)[C@H]1CCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4390 EN300-100830_3_1 molecule CCS(=O)(=O)N(C)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.4
4391 EN300-1709315_2_2 molecule C[C@]1(CCCNS1(=O)=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4392 EN300-83827_1_1 molecule CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4393 EN300-7445396_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5Cc6c[nH]cc6S5(=O)=O −9.8 ± 0.4
4394 EN300-6494158_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@H](CO5)CO −9.8 ± 0.3
4395 EN300-6477724_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5C[C@@H]5c6[nH]cnn6 −9.8 ± 0.4
4396 EN300-61898_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nn5)n6ccnc6 −9.8 ± 0.3
4397 EN300-315854_3_2 molecule C[C@]1(CCNC(=O)C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4398 EN300-1709410_2_3 molecule C[C@@H]1C[C@H](N1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −9.8 ± 0.3
4399 EN300-378373_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CC5 −9.8 ± 0.2
4400 EN300-296237_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)C(F)(F)F −9.8 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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