smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1noc(C)c1-c1ccc2c(c1)[C@](C)(c1ccccc1)N(C)C(=O)N2 218726191 HPNKVGAQIXCTBD-NRFANRHFSA-N 347.418 4.699 70 1 EJIF CSc1ccc(-c2cc(CNC34C[C@@H]5CC3C[C@H](C5)C4)no2)cc1 218647658 AXDOILPDONJOFS-YHLAAPATSA-N 340.492 4.732 70 1 EJIF CCCCCCNc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217090739 HOTBUNDFWYGNCW-UHFFFAOYSA-N 341.480 4.952 70 1 EJIF Cc1noc(C)c1-c1ccc2c(c1)[C@@](C)(c1ccccc1)N(C)C(=O)N2 218726119 HPNKVGAQIXCTBD-OAQYLSRUSA-N 347.418 4.699 70 1 EJIF CC(C)(C)[Si](F)(CCNCC(=O)Cc1ccccc1)C(C)(C)C 210632587 RYNPTCNCIJSWIS-UHFFFAOYSA-N 337.555 4.903 70 1 EJIF CCC(CC)Nc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217084287 SENQVYZSXDMGMC-UHFFFAOYSA-N 327.453 4.561 70 1 EJIF CCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 148677676 ZQHWIHCCODSGFE-UHFFFAOYSA-N 348.229 4.657 70 1 EJIF CC(C)(C)Nc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 217102053 FFMQQBXDTPANEX-UHFFFAOYSA-N 333.844 4.515 70 1 EJIF c1csc(-c2ncc(CNC34CC5CC(CC(C5)C3)C4)s2)c1 218647883 YHJIAEQLSWULGS-UHFFFAOYSA-N 330.522 4.930 70 1 EJIF CCCN(CCC)c1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217090833 YUQOXJZKMAGZLN-UHFFFAOYSA-N 341.480 4.586 70 1 EJIF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)F)cc1 43382032 ABWMCWLAIXGABJ-MSOLQXFVSA-N 336.428 4.738 70 1 EJIF O=C(NCC1(c2cccnc2)CCCC1)c1cccc(Cl)c1Cl 217358082 PTGJKVLZGTXXJQ-UHFFFAOYSA-N 349.261 4.630 70 1 EJIF COc1ccc(-c2nc3cc(OC)ccc3nc2-c2ccccc2)cc1 216691149 IVLSUHQTGNCLAW-UHFFFAOYSA-N 342.398 4.981 70 1 EJIF CCCCCNc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217090716 XGGNYTQALLFVDI-UHFFFAOYSA-N 327.453 4.562 70 1 EJIF