Microstates

Showing 1201 through 1300 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1201 EN300-1654606_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@@H]5F −11.2 ± 0.2
1202 EN300-1654606_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@@H]5F −11.2 ± 0.2
1203 EN300-23214_2_2 molecule CCCNC(=O)[C@H](C)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
1204 EN300-24949_1_1 molecule COC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.2
1205 EN300-1703143_3_1 molecule CC(C)(C)c1nnn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.4
1206 EN300-261210_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)C#N −11.2 ± 0.4
1207 EN300-341337_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCO[C@@H]5CCOC6 −11.2 ± 0.3
1208 EN300-6356960_3_1 molecule Cn1cnnc1CCCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.4
1209 EN300-76205_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −11.2 ± 0.4
1210 EN300-36855_3_1 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)c5cnccn5 −11.2 ± 0.3
1211 EN300-258477_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.2 ± 0.2
1212 EN300-378828_3_1 molecule C[C@@H]1[C@H]([C@H](C(=O)N1C)O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.4
1213 EN300-7457159_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(on5)C6(COC6)O −11.2 ± 0.3
1214 EN300-118760_3_1 molecule C[C@@](C1CC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.2 ± 0.4
1215 VLA-UCB-34f3ed0c-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc[nH]n5 −11.2 ± 0.2
1216 EN300-6729572_1_3 molecule C[C@@H]([C@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.2 ± 0.2
1217 EN300-19515_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)N5 −11.2 ± 0.2
1218 EN300-331941_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5C(=O)N −11.2 ± 0.2
1219 EN300-100180_1_2 molecule CC(=O)N1CC[C@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.4
1220 EDJ-MED-e4b030d8-6_1 molecule CCC[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −11.2 ± 0.1
1221 JAG-UCB-706446eb-5_1 molecule COCCN([C@@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1222 EN300-244744_1_1 molecule Cn1ncc(n1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
1223 EN300-7444533_1_1 molecule C[C@@H]1C[C@@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1224 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −11.2 ± 0.2
1225 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −11.2 ± 0.2
1226 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −11.2 ± 0.2
1227 EN300-7352812_3_1 molecule Cn1cc(cn1)OC2(CC2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.2 ± 0.3
1228 EN300-1726340_2_1 molecule Cn1ccc(n1)n2cc(nc2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.2 ± 0.3
1229 EN300-175186_3_1 molecule C[C@@H](CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
1230 EN300-16582_1_2 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −11.2 ± 0.3
1231 EDJ-MED-e4b030d8-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5COC5)Cl −11.2 ± 0.2
1232 EN300-31184_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C(C)C −11.2 ± 0.3
1233 EN300-116885_1_1 molecule Cc1c(nc(c(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.2 ± 0.3
1234 EN300-22879_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCC[C@H]5C(=O)N −11.2 ± 0.4
1235 EN300-204936_3_1 molecule Cn1c(cnn1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1236 EN300-248526_2_2 molecule c1ccc(cc1)[C@](COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −11.2 ± 0.4
1237 EN300-371682_1_1 molecule CN([C@@H]1COC[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1238 EN300-30768_1_1 molecule C[C@@H]1C[C@@H]1C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1239 EN300-140582_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COCCN5CC(F)F −11.2 ± 0.3
1240 EN300-18249_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N −11.2 ± 0.2
1241 EN300-227218_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6CCC5C6 −11.2 ± 0.4
1242 EN300-24419_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)S(=O)(=O)N −11.2 ± 0.3
1243 EN300-6495717_1_1 molecule C[C@@H]1CC(CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(CO)CO −11.2 ± 0.4
1244 EN300-220228_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6ccnn6c5O −11.2 ± 0.3
1245 EN300-1721328_1_1 molecule Cc1nnc(n1C)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1246 EN300-651307_3_2 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.2 ± 0.4
1247 EN300-198240_1_1 molecule Cn1cc(cn1)[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.2 ± 0.3
1248 EN300-99391_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@@H]5CCOC5 −11.2 ± 0.3
1249 EN300-1253122_3_1 molecule CCN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
1250 EN300-1253122_3_1 molecule CCN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
1251 EN300-62857_3_1 molecule COCCS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.5
1252 EN300-99983_2_1 molecule CNC(=O)Cc1nc(on1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1253 EN300-206870_1_1 molecule Cc1nnc(s1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1254 EN300-7438185_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6nncn6nc5 −11.2 ± 0.3
1255 EN300-268198_1_1 molecule C[C@@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −11.2 ± 0.2
1256 EN300-60831_3_1 molecule CS(=O)(=O)C1(CCCC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.5
1257 EN300-7463161_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@H](C5)n6cnnc6)cc1 −11.2 ± 0.3
1258 EN300-152337_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)NCC5 −11.2 ± 0.3
1259 EN300-7355519_3_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5C[C@@H]6[C@H](O5)CCO6 −11.2 ± 0.3
1260 EN300-254836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CC5CS6(=O)=O −11.2 ± 0.4
1261 DAR-DIA-5ff57136-12_1 molecule c1ccc2c(c1)cncc2N(C#C[C@@H]3CCCN3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −11.2 ± 0.2
1262 EN300-98648_2_1 molecule CN1CC[C@@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
1263 EN300-98648_2_1 molecule CN1CC[C@@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
1264 EN300-1718364_1_1 molecule CC1(CS(=O)(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1265 EN300-193399_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C5CC5 −11.2 ± 0.5
1266 EN300-203306_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(C(=O)N)O −11.2 ± 0.4
1267 EN300-199359_2_1 molecule CC(C)[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.2 ± 0.3
1268 EN300-83766_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC#CCO −11.2 ± 0.2
1269 EN300-254137_1_1 molecule C#C[C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
1270 EN300-36158_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COCCO5 −11.2 ± 0.3
1271 EN300-6493972_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56C[C@H]5[C@@H](C6)O −11.2 ± 0.2
1272 EN300-209316_3_1 molecule Cn1c(ncn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
1273 EN300-129455_1_1 molecule CCNC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
1274 EN300-211158_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(c5)CO)CO −11.2 ± 0.3
1275 EN300-195590_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCNC(=O)C5 −11.2 ± 0.3
1276 EN300-209532_2_1 molecule CN(CCC(=O)N)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.2
1277 EN300-6474220_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CCn5ccnn5)(F)F −11.1 ± 0.3
1278 EN300-106432_1_1 molecule C#CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1279 EN300-249804_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCOC(=O)N5 −11.1 ± 0.3
1280 EN300-7459916_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(=O)CO −11.1 ± 0.3
1281 EN300-43939_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)CC(F)(F)F −11.1 ± 0.2
1282 EN300-1589101_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c[nH]nc5 −11.1 ± 0.3
1283 EN300-314455_2_1 molecule CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1284 EN300-67533_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](C5CC5)O −11.1 ± 0.3
1285 EN300-1968342_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H](CF)O −11.1 ± 0.3
1286 EN300-1968342_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H](CF)O −11.1 ± 0.3
1287 EN300-95698_1_4 molecule C[C@H]1CC(=O)NC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1288 EN300-370967_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOC5=O −11.1 ± 0.3
1289 EN300-370967_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOC5=O −11.1 ± 0.3
1290 DAR-DIA-6a508060-5_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CC(=O)N5)Cl −11.1 ± 0.2
1291 EN300-1239522_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.1 ± 0.2
1292 EN300-6482296_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@H]6[C@H]5COC6 −11.1 ± 0.2
1293 EN300-217494_4_4 molecule C[C@]([C@H]1CCOC1)(C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.3
1294 EN300-305996_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COC(=O)N5 −11.1 ± 0.2
1295 EN300-13499_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCNC(=O)N −11.1 ± 0.3
1296 EN300-159633_3_2 molecule C[C@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −11.1 ± 0.3
1297 EN300-107267_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCCNC5=O −11.1 ± 0.2
1298 EN300-7439284_4_1 molecule COc1cn[nH]c1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1299 EN300-90142_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC[C@H](C5)C(=O)N −11.1 ± 0.3
1300 EN300-269453_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6nnnn6C5 −11.1 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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