smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1C 586925830 KJQCRRIEOWXXBS-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF CCc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1S(=O)(=O)Cl 586927726 QYJXJYWLQLABCJ-UHFFFAOYSA-N 376.909 5.017 70 1 GKIF Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)c(C)n1 217364160 SKGNSFHTXOMKPD-HNNXBMFYSA-N 377.315 5.319 70 1 GKIF O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl 586927973 VDGLBVVIYWSEBB-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF O=C(NC[C@H](CC1CC1)c1cncc(Cl)c1)c1cccc(Cl)c1Cl 217363662 LLYIZSBZPGRVBZ-LBPRGKRZSA-N 383.706 5.356 70 1 GKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1Cl 586929678 YICDMRTVTZRKSG-UHFFFAOYSA-N 397.327 5.417 70 1 GKIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl 137012265 JVJSZVIWJDEHTQ-CQJJLBMOSA-N 392.967 5.346 70 1 GKIF Cc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1C 586924970 AXZURYHSVUPUME-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)cc(C)c3[nH]2)c1Cl 586926455 KYYRAUSMRRANIP-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF C=C[C@@](C)(/C=C/c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CCC=C(C)C 653739764 MVAKLNMWIHDWDY-QIXNEVBVSA-N 388.451 5.867 70 1 GKIF CCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1S(=O)(=O)Cl 586926674 CXHHQFQIYIIUNV-UHFFFAOYSA-N 389.691 5.027 70 1 GKIF CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 117776772 XBKDICAEZAESBF-MOUTVQLLSA-N 395.027 6.734 70 1 GKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1Cl 586925371 DZVUDIOGTYAXAP-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF O=C(NC[C@@H](CC1CC1)c1ccc(C(F)F)nc1)c1cccc(F)c1Cl 217381994 YHIBXEVGSQICFH-CYBMUJFWSA-N 382.813 5.125 70 1 GKIF CCc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1S(=O)(=O)Cl 586926761 FBCFZVDEWSUKHT-UHFFFAOYSA-N 376.909 5.017 70 1 GKIF CC(C)(C)[Si](F)(c1ccc(CC(=O)NCc2ccccc2)cc1)C(C)(C)C 199851514 RNPNGRPMWVFYFS-UHFFFAOYSA-N 385.599 5.268 70 1 GKIF O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl 217362621 KHWQIZKQWLPKRO-CQSZACIVSA-N 382.813 5.068 70 1 GKIF Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Cl 586926176 IIOIZLLFABZKRF-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF Cc1cc(C)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 586926540 QTYKLGOEWJVVHS-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF CC(C)(C)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586928363 YMVCYXDDAKSASR-UHFFFAOYSA-N 383.300 5.108 70 1 GKIF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCNC(=O)N=[N+]=[N-] 96914156 OPRRURHGCKKNPY-LKCJXIOFSA-N 386.452 5.047 70 1 GKIF CC(C)(C)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586926591 NCSSBVPXRNJMCK-UHFFFAOYSA-N 383.300 5.108 70 1 GKIF Cc1ccc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)cc1 218765108 UZXZZRFXYHXKOP-UHFFFAOYSA-N 388.446 5.116 70 1 GKIF CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 137011071 VUABBZYGIWUQLU-QEUVDIPISA-N 380.956 5.481 70 1 GKIF CCc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586927297 KNUOLGKVOGBBGM-UHFFFAOYSA-N 389.691 5.027 70 1 GKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4ccccc4cc3[nH]2)c1Cl 586929692 YQQXDKYXGKSIGE-UHFFFAOYSA-N 391.279 5.272 70 1 GKIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl 137012322 DKFBAFOHUJCIPJ-GPQLQYNLSA-N 394.983 5.570 70 1 GKIF O=C(NC[C@@H](c1ccc(Cl)cc1)C1CCOCC1)c1cccc(F)c1Cl 217369817 LPJZCUNIFPBMAB-KRWDZBQOSA-N 396.289 5.073 70 1 GKIF CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 117776775 XBKDICAEZAESBF-YCAMKHIRSA-N 395.027 6.734 70 1 GKIF Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)c(C)n1 217364245 SKGNSFHTXOMKPD-OAHLLOKOSA-N 377.315 5.319 70 1 GKIF CC(C)(C)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927677 QGXBCSLCZDSKPS-UHFFFAOYSA-N 383.300 5.108 70 1 GKIF O=S(=O)(Cl)CCCCCCCc1ccc(OCc2ccccc2)cc1 115389089 WSJMMHZWIIYVHC-UHFFFAOYSA-N 380.937 5.327 70 1 GKIF CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)N=[N+]=[N-])cc32)C=CC(C)(C)O1 299857038 MEWMEMAVAPBEGB-UHFFFAOYSA-N 379.372 5.126 70 1 GKIF Cc1ccc(Cl)c(C(=O)NCC2(c3ccc(F)nc3)CCC(F)(F)CC2)c1 217360165 GVAXREMJQZNKQP-UHFFFAOYSA-N 396.840 5.060 70 1 GKIF CCc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586927528 ZRKDDNQFKIOZLT-UHFFFAOYSA-N 389.691 5.027 70 1 GKIF O=S(=O)(Cl)CCCCCCCc1cccc(OCc2ccccc2)c1 115389167 KIACCMMCOMJSCP-UHFFFAOYSA-N 380.937 5.327 70 1 GKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl 586927336 FMZREIMDRFZTNY-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF O=C(NC[C@@H](CC1CC1)c1cncc(Cl)c1)c1cccc(Cl)c1Cl 217363577 LLYIZSBZPGRVBZ-GFCCVEGCSA-N 383.706 5.356 70 1 GKIF O=C(NC[C@H](c1ccc(Cl)cc1)C1CCOCC1)c1c(F)cccc1Cl 217369701 GTRKDWAJYLEDGZ-MRXNPFEDSA-N 396.289 5.073 70 1 GKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Cl)c(C)c3[nH]2)c1Cl 586926755 PIDNEXBTPHLETO-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Cl 586928012 WBBQDHCRDXDZOR-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF CCCCCN(CCCCC)c1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217096670 WXOIPOOUOCIVKY-UHFFFAOYSA-N 397.588 6.147 70 1 GKIF CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 137011013 FLIRCOOFHPQNCZ-KDNUDLGWSA-N 378.940 5.257 70 1 GKIF O=C(NC[C@H](CC1CC1)c1ccc(C(F)F)nc1)c1cccc(Cl)c1Cl 217381873 QHYHEDBLTNQEBW-ZDUSSCGKSA-N 399.268 5.640 70 1 GKIF Cc1c2c(c(CCCCBr)c3c1Oc1ccccc1O3)C(=O)OC2 35090787 GFMKNLOQFWQBFH-UHFFFAOYSA-N 389.245 5.281 70 1 GKIF Cc1ccc(C)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12 586926462 PINHBFGPNLKJGI-UHFFFAOYSA-N 389.691 5.081 70 1 GKIF O=C(NC[C@H](c1ccc(Cl)cc1)C1CCOCC1)c1cccc(F)c1Cl 217369902 LPJZCUNIFPBMAB-QGZVFWFLSA-N 396.289 5.073 70 1 GKIF O=C(NC[C@@H](CC1CC1)c1ccc(C(F)F)nc1)c1cccc(Cl)c1Cl 217381805 QHYHEDBLTNQEBW-CYBMUJFWSA-N 399.268 5.640 70 1 GKIF Cc1csc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)c1 218765053 SQWLNUWVUPGHCL-UHFFFAOYSA-N 394.475 5.178 70 1 GKIF Cc1cc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927991 NHVLFSAJSZTXTN-UHFFFAOYSA-N 398.871 5.258 70 1 GKIF Cc1c2c(c(CCCCBr)c3c1C(=O)OC3)Oc1ccccc1O2 35090913 SXJGDJHXIXRKFE-UHFFFAOYSA-N 389.245 5.281 70 1 GKIF O=S(=O)(Cl)CCCCCCCc1ccccc1OCc1ccccc1 115388752 VFNANICQTWXKCU-UHFFFAOYSA-N 380.937 5.327 70 1 GKIF O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl 217362710 KHWQIZKQWLPKRO-AWEZNQCLSA-N 382.813 5.068 70 1 GKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Cl 586928079 PIIQVXJPKACZSE-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF CC(C)(C)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928279 UINFJEMQFZDBOJ-UHFFFAOYSA-N 383.300 5.108 70 1 GKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1Cl 586928730 IBTVPTBGEKUBQR-UHFFFAOYSA-N 397.327 5.417 70 1 GKIF O=C(NC[C@@H](c1ccc(Cl)cc1)C1CCOCC1)c1c(F)cccc1Cl 217369629 GTRKDWAJYLEDGZ-INIZCTEOSA-N 396.289 5.073 70 1 GKIF O=C(NC[C@H](CC1CC1)c1ccc(C(F)F)nc1)c1cccc(F)c1Cl 217382067 YHIBXEVGSQICFH-ZDUSSCGKSA-N 382.813 5.125 70 1 GKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(Cl)c3[nH]2)c1Cl 586925489 FIRHOHROLBZOQH-UHFFFAOYSA-N 396.082 5.118 70 1 GKIF C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccccc1 218478121 QTNNXCXGAWXJSN-JXFKEZNVSA-N 388.471 5.126 70 1 GKIF