smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cccc1C(=O)Nc1ccccc1 ZINC000161064052 567867804 /nfs/dbraw/zinc/86/78/04/567867804.db2.gz BEMRKNROFZCVGH-INIZCTEOSA-N 1 2 374.444 3.645 20 70 FHIDLO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161474237 567939969 /nfs/dbraw/zinc/93/99/69/567939969.db2.gz QEAUZSOKYNKGGN-QGZVFWFLSA-N 1 2 369.509 3.574 20 70 FHIDLO O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161041342 567859631 /nfs/dbraw/zinc/85/96/31/567859631.db2.gz YOWKKLUDWYMZGR-HNNXBMFYSA-N 1 2 365.408 3.802 20 70 FHIDLO C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161141287 567869523 /nfs/dbraw/zinc/86/95/23/567869523.db2.gz YBXLXZCYVIDHGS-VXGBXAGGSA-N 1 2 352.265 3.672 20 70 FHIDLO O=C(NCc1ccccc1Sc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161485796 567943995 /nfs/dbraw/zinc/94/39/95/567943995.db2.gz VICFYZHUZRSLQJ-MRXNPFEDSA-N 1 2 363.486 3.913 20 70 FHIDLO CCc1nc(-c2ccccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000161298258 567901295 /nfs/dbraw/zinc/90/12/95/567901295.db2.gz LGCUDPOSUQYOQJ-UHFFFAOYSA-N 1 2 372.432 3.531 20 70 FHIDLO CC(C)(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161427694 567931348 /nfs/dbraw/zinc/93/13/48/567931348.db2.gz OPUJMWPAWOVQGS-GFCCVEGCSA-N 1 2 366.292 3.846 20 70 FHIDLO O=C(NCc1ccccc1Sc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161485922 567943894 /nfs/dbraw/zinc/94/38/94/567943894.db2.gz VICFYZHUZRSLQJ-INIZCTEOSA-N 1 2 363.486 3.913 20 70 FHIDLO Cc1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cccc1C(=O)Nc1ccccc1 ZINC000161063957 567867880 /nfs/dbraw/zinc/86/78/80/567867880.db2.gz BEMRKNROFZCVGH-MRXNPFEDSA-N 1 2 374.444 3.645 20 70 FHIDLO C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161141505 567869671 /nfs/dbraw/zinc/86/96/71/567869671.db2.gz YBXLXZCYVIDHGS-NEPJUHHUSA-N 1 2 352.265 3.672 20 70 FHIDLO O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161041249 567859521 /nfs/dbraw/zinc/85/95/21/567859521.db2.gz YOWKKLUDWYMZGR-OAHLLOKOSA-N 1 2 365.408 3.802 20 70 FHIDLO Cc1ccc(-c2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C)s1 ZINC000161401769 567918026 /nfs/dbraw/zinc/91/80/26/567918026.db2.gz KFCHGEYNLYEZRD-GFCCVEGCSA-N 1 2 358.492 3.886 20 70 FHIDLO COc1ccccc1NC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000161119168 567872999 /nfs/dbraw/zinc/87/29/99/567872999.db2.gz ZGMIBUCSXOJZOL-UHFFFAOYSA-N 1 2 370.478 3.883 20 70 FHIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161322329 567906353 /nfs/dbraw/zinc/90/63/53/567906353.db2.gz RWYGQHGJFPWHSG-WOJBJXKFSA-N 1 2 351.494 3.850 20 70 FHIDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCO[C@H](c2cccs2)C1 ZINC000161324356 567906832 /nfs/dbraw/zinc/90/68/32/567906832.db2.gz PLHOVVHSBVAEIN-MOTZXUDYSA-N 1 2 365.458 3.547 20 70 FHIDLO O=C(Nc1cccc(CSc2ccccn2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161044345 567859992 /nfs/dbraw/zinc/85/99/92/567859992.db2.gz OHCBORXLGLWLEE-INIZCTEOSA-N 1 2 364.474 3.772 20 70 FHIDLO COc1ccc(-c2cncc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)c2)cc1 ZINC000160972559 567852335 /nfs/dbraw/zinc/85/23/35/567852335.db2.gz LPSDBCROFQLKDO-UHFFFAOYSA-N 1 2 371.400 3.590 20 70 FHIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000161322175 567906349 /nfs/dbraw/zinc/90/63/49/567906349.db2.gz RWYGQHGJFPWHSG-UXHICEINSA-N 1 2 351.494 3.850 20 70 FHIDLO CC(C)n1cc[nH+]c1CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161168156 571278720 /nfs/dbraw/zinc/27/87/20/571278720.db2.gz OCNWBZIQWHWYSV-JKSUJKDBSA-N 1 2 353.388 3.791 20 70 FHIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000161322460 567906426 /nfs/dbraw/zinc/90/64/26/567906426.db2.gz RWYGQHGJFPWHSG-PMACEKPBSA-N 1 2 351.494 3.850 20 70 FHIDLO C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161141407 567869623 /nfs/dbraw/zinc/86/96/23/567869623.db2.gz YBXLXZCYVIDHGS-RYUDHWBXSA-N 1 2 352.265 3.672 20 70 FHIDLO C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161141170 567869432 /nfs/dbraw/zinc/86/94/32/567869432.db2.gz YBXLXZCYVIDHGS-NWDGAFQWSA-N 1 2 352.265 3.672 20 70 FHIDLO CC(C)n1cc[nH+]c1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161167986 571278700 /nfs/dbraw/zinc/27/87/00/571278700.db2.gz OCNWBZIQWHWYSV-HZPDHXFCSA-N 1 2 353.388 3.791 20 70 FHIDLO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161474351 567939963 /nfs/dbraw/zinc/93/99/63/567939963.db2.gz QEAUZSOKYNKGGN-KRWDZBQOSA-N 1 2 369.509 3.574 20 70 FHIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000160927761 567830172 /nfs/dbraw/zinc/83/01/72/567830172.db2.gz YCPGUUTXMMKGPP-UHFFFAOYSA-N 1 2 366.440 3.903 20 70 FHIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000160927761 567830173 /nfs/dbraw/zinc/83/01/73/567830173.db2.gz YCPGUUTXMMKGPP-UHFFFAOYSA-N 1 2 366.440 3.903 20 70 FHIDLO O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161044221 567859970 /nfs/dbraw/zinc/85/99/70/567859970.db2.gz OHCBORXLGLWLEE-MRXNPFEDSA-N 1 2 364.474 3.772 20 70 FHIDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCO[C@@H](c2cccs2)C1 ZINC000161324475 567907031 /nfs/dbraw/zinc/90/70/31/567907031.db2.gz PLHOVVHSBVAEIN-KRZKXXONSA-N 1 2 365.458 3.547 20 70 FHIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161322570 567906438 /nfs/dbraw/zinc/90/64/38/567906438.db2.gz RWYGQHGJFPWHSG-VQTJNVASSA-N 1 2 351.494 3.850 20 70 FHIDLO CC(C)(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000161427790 567931346 /nfs/dbraw/zinc/93/13/46/567931346.db2.gz OPUJMWPAWOVQGS-LBPRGKRZSA-N 1 2 366.292 3.846 20 70 FHIDLO Cc1ccc(-c2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C)s1 ZINC000161401898 567917949 /nfs/dbraw/zinc/91/79/49/567917949.db2.gz KFCHGEYNLYEZRD-LBPRGKRZSA-N 1 2 358.492 3.886 20 70 FHIDLO