smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598498502 992395201 /nfs/dbraw/zinc/39/52/01/992395201.db2.gz ZLDYHVWSNWOXMI-AWEZNQCLSA-N 0 2 398.601 3.505 20 50 GHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598498502 992395207 /nfs/dbraw/zinc/39/52/07/992395207.db2.gz ZLDYHVWSNWOXMI-AWEZNQCLSA-N 0 2 398.601 3.505 20 50 GHGDLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450895 998096684 /nfs/dbraw/zinc/09/66/84/998096684.db2.gz NOBIVDYWTWQWLB-QAPCUYQASA-N 0 2 395.572 3.926 20 50 GHGDLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450895 998096697 /nfs/dbraw/zinc/09/66/97/998096697.db2.gz NOBIVDYWTWQWLB-QAPCUYQASA-N 0 2 395.572 3.926 20 50 GHGDLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C)c1 ZINC001598992430 998749506 /nfs/dbraw/zinc/74/95/06/998749506.db2.gz UUJNIOSWJXXMJW-INIZCTEOSA-N 0 2 381.545 3.553 20 50 GHGDLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C)c1 ZINC001598992430 998749512 /nfs/dbraw/zinc/74/95/12/998749512.db2.gz UUJNIOSWJXXMJW-INIZCTEOSA-N 0 2 381.545 3.553 20 50 GHGDLN CC(C)c1ccc([C@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824347595 608580919 /nfs/dbraw/zinc/58/09/19/608580919.db2.gz GIXBXXWOMBERIK-GFCCVEGCSA-N 0 2 399.886 3.675 20 50 GHGDLN CC(C)c1ccc(/C=C/CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824348009 608627015 /nfs/dbraw/zinc/62/70/15/608627015.db2.gz WPRYWQSATJPVDI-ONEGZZNKSA-N 0 2 397.870 3.585 20 50 GHGDLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450893 998098010 /nfs/dbraw/zinc/09/80/10/998098010.db2.gz NOBIVDYWTWQWLB-CRAIPNDOSA-N 0 2 395.572 3.926 20 50 GHGDLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450893 998098019 /nfs/dbraw/zinc/09/80/19/998098019.db2.gz NOBIVDYWTWQWLB-CRAIPNDOSA-N 0 2 395.572 3.926 20 50 GHGDLN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451539 990014189 /nfs/dbraw/zinc/01/41/89/990014189.db2.gz MZQSMRFYEYYKTN-KRWDZBQOSA-N 0 2 392.572 3.810 20 50 GHGDLN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451539 990014195 /nfs/dbraw/zinc/01/41/95/990014195.db2.gz MZQSMRFYEYYKTN-KRWDZBQOSA-N 0 2 392.572 3.810 20 50 GHGDLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+](C)CCO[Si](C)(C)C(C)(C)C)c1 ZINC001598992431 998749797 /nfs/dbraw/zinc/74/97/97/998749797.db2.gz UUJNIOSWJXXMJW-MRXNPFEDSA-N 0 2 381.545 3.553 20 50 GHGDLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C)c1 ZINC001598992431 998749800 /nfs/dbraw/zinc/74/98/00/998749800.db2.gz UUJNIOSWJXXMJW-MRXNPFEDSA-N 0 2 381.545 3.553 20 50 GHGDLN O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1cc[nH+]c3cc(Cl)ccc13)C2 ZINC000831307933 603825680 /nfs/dbraw/zinc/82/56/80/603825680.db2.gz LGVSYQIPWQPXNM-QXMXGUDHSA-N 0 2 388.855 3.642 20 50 GHGDLN Cc1cc(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)cc(C)c1OCC(=O)[O-] ZINC000832864309 601756263 /nfs/dbraw/zinc/75/62/63/601756263.db2.gz ANYKSOAMNQIBLJ-UHFFFAOYSA-N 0 2 399.834 3.725 20 50 GHGDLN CC(C)c1ccc([C@@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824347596 608580878 /nfs/dbraw/zinc/58/08/78/608580878.db2.gz GIXBXXWOMBERIK-LBPRGKRZSA-N 0 2 399.886 3.675 20 50 GHGDLN CC(C)(C)C1CCC(=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC001573824420 949850610 /nfs/dbraw/zinc/85/06/10/949850610.db2.gz FTJJWMXQRYOXPO-UHFFFAOYSA-N 0 2 389.891 3.521 20 50 GHGDLN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451540 990014149 /nfs/dbraw/zinc/01/41/49/990014149.db2.gz MZQSMRFYEYYKTN-QGZVFWFLSA-N 0 2 392.572 3.810 20 50 GHGDLN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451540 990014159 /nfs/dbraw/zinc/01/41/59/990014159.db2.gz MZQSMRFYEYYKTN-QGZVFWFLSA-N 0 2 392.572 3.810 20 50 GHGDLN O=C([O-])c1cn(CC(=O)NNc2cc[nH+]c3cc(Cl)ccc23)c2ccccc12 ZINC000739359763 978632826 /nfs/dbraw/zinc/63/28/26/978632826.db2.gz QGNPUVDCJTUMAV-UHFFFAOYSA-N 0 2 394.818 3.684 20 50 GHGDLN CC(C)c1ccc(/C=C\CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824348008 608626979 /nfs/dbraw/zinc/62/69/79/608626979.db2.gz WPRYWQSATJPVDI-ARJAWSKDSA-N 0 2 397.870 3.585 20 50 GHGDLN CCCc1c(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)[nH]c(C)c1C(=O)[O-] ZINC000737043036 978375188 /nfs/dbraw/zinc/37/51/88/978375188.db2.gz GMJQGCJJFBOZPK-UHFFFAOYSA-N 0 2 386.839 3.932 20 50 GHGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(C2CCCCC2)cc1 ZINC000826446017 608574244 /nfs/dbraw/zinc/57/42/44/608574244.db2.gz VMYUCMWJROZERI-UHFFFAOYSA-N 0 2 397.870 3.720 20 50 GHGDLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450896 998097322 /nfs/dbraw/zinc/09/73/22/998097322.db2.gz NOBIVDYWTWQWLB-YJBOKZPZSA-N 0 2 395.572 3.926 20 50 GHGDLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450896 998097334 /nfs/dbraw/zinc/09/73/34/998097334.db2.gz NOBIVDYWTWQWLB-YJBOKZPZSA-N 0 2 395.572 3.926 20 50 GHGDLN C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598498503 992395325 /nfs/dbraw/zinc/39/53/25/992395325.db2.gz ZLDYHVWSNWOXMI-CQSZACIVSA-N 0 2 398.601 3.505 20 50 GHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598498503 992395333 /nfs/dbraw/zinc/39/53/33/992395333.db2.gz ZLDYHVWSNWOXMI-CQSZACIVSA-N 0 2 398.601 3.505 20 50 GHGDLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450894 998097173 /nfs/dbraw/zinc/09/71/73/998097173.db2.gz NOBIVDYWTWQWLB-MAUKXSAKSA-N 0 2 395.572 3.926 20 50 GHGDLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450894 998097183 /nfs/dbraw/zinc/09/71/83/998097183.db2.gz NOBIVDYWTWQWLB-MAUKXSAKSA-N 0 2 395.572 3.926 20 50 GHGDLN