smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CC(=O)NC(=O)C3)cc2)cc1 ZINC000000783493 559279285 /nfs/dbraw/zinc/27/92/85/559279285.db2.gz MQPYHWHNZRKAQQ-UHFFFAOYSA-N -1 1 423.472 0.443 40 0 HCABMM O=C([O-])CNCNc1ccc(S(=O)(=O)c2ccc(NC[NH2+]CC(=O)[O-])cc2)cc1 ZINC000001671923 557279803 /nfs/dbraw/zinc/27/98/03/557279803.db2.gz PVHJGQWBEKGIBX-UHFFFAOYSA-N -1 1 422.463 0.607 40 0 HCABMM CN(Cc1c[nH+]c(N)nc1N)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000001710602 557282308 /nfs/dbraw/zinc/28/23/08/557282308.db2.gz NLKFMOJPRPYHDV-CYBMUJFWSA-N -1 1 402.411 0.325 40 0 HCABMM O=C1C[C@H](c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)Oc2cc([O-])ccc21 ZINC000002097389 574411790 /nfs/dbraw/zinc/41/17/90/574411790.db2.gz DEMKZLAVQYISIA-BHBQBRIKSA-N -1 1 418.398 0.277 40 0 endogenous,in-man HCABMM O=C1C[C@@H](c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)Oc2cc([O-])ccc21 ZINC000002097391 574411804 /nfs/dbraw/zinc/41/18/04/574411804.db2.gz DEMKZLAVQYISIA-KKPFLKIHSA-N -1 1 418.398 0.277 40 0 endogenous,in-man HCABMM CC(C)(CO)[C@H](O)C(=O)NCCS(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000004522205 557563393 /nfs/dbraw/zinc/56/33/93/557563393.db2.gz CGXYRNHWINQPRZ-LLVKDONJSA-N -1 1 410.290 0.081 40 0 HCABMM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c21 ZINC000004557376 560735736 /nfs/dbraw/zinc/73/57/36/560735736.db2.gz VFPGPPMQCHGMCT-REBKPJRLSA-N -1 1 418.398 0.277 40 0 HCABMM O=C1C[C@H](c2ccccc2)Oc2cc([O-])cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c21 ZINC000004557377 560735869 /nfs/dbraw/zinc/73/58/69/560735869.db2.gz VFPGPPMQCHGMCT-VVBPCJSVSA-N -1 1 418.398 0.277 40 0 HCABMM CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000005420093 557652908 /nfs/dbraw/zinc/65/29/08/557652908.db2.gz CGXYRNHWINQPRZ-NSHDSACASA-N -1 1 410.290 0.081 40 0 HCABMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(N)=O ZINC000006959324 569335945 /nfs/dbraw/zinc/33/59/45/569335945.db2.gz OCJUZCXXBBFVJH-UHFFFAOYSA-N -1 1 412.196 0.461 40 0 HCABMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(N)=O ZINC000006959324 569335944 /nfs/dbraw/zinc/33/59/44/569335944.db2.gz OCJUZCXXBBFVJH-UHFFFAOYSA-N -1 1 412.196 0.461 40 0 HCABMM CN(Cc1c[nH+]c(N)nc1N)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000008627700 557797584 /nfs/dbraw/zinc/79/75/84/557797584.db2.gz NLKFMOJPRPYHDV-ZDUSSCGKSA-N -1 1 402.411 0.325 40 0 HCABMM CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[n-]c1=O ZINC000008648345 557798224 /nfs/dbraw/zinc/79/82/24/557798224.db2.gz YJJPGRNCMKXWFF-UHFFFAOYSA-N -1 1 406.399 0.121 40 0 HCABMM O=C(CSc1nccc(=O)[n-]1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008772977 560638553 /nfs/dbraw/zinc/63/85/53/560638553.db2.gz WSNZYCUINUKZRO-UHFFFAOYSA-N -1 1 410.477 0.522 40 0 HCABMM COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CCC(=O)[O-])C(=O)Nc2ccc(F)cc21 ZINC000009058808 557820830 /nfs/dbraw/zinc/82/08/30/557820830.db2.gz JQRBUOAKXZQCRJ-VFSPDHHESA-N -1 1 405.382 0.057 40 0 HCABMM COCCN1C(=O)[C@H]2[C@@H](CCC(=O)[O-])N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000009058809 557820824 /nfs/dbraw/zinc/82/08/24/557820824.db2.gz JQRBUOAKXZQCRJ-CTYUOQFJSA-N -1 1 405.382 0.057 40 0 HCABMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21 ZINC000009065346 557821645 /nfs/dbraw/zinc/82/16/45/557821645.db2.gz GNLTUOHPRFHECA-LTFAXJHGSA-N -1 1 413.430 0.451 40 0 HCABMM O=C(CCn1cnc2ccccc21)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1 ZINC000012087589 132353696 /nfs/dbraw/zinc/35/36/96/132353696.db2.gz JUSHXDUFVZPVRK-UHFFFAOYSA-N -1 1 408.462 0.931 40 0 HCABMM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(c2c4c(nc5ncnn52)CCC4)C3)C[C@@H](C)O1 ZINC000012145238 132355105 /nfs/dbraw/zinc/35/51/05/132355105.db2.gz NGJHXBIKQKVMSV-CHWSQXEVSA-N -1 1 422.493 0.873 40 0 HCABMM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(c2c4c(nc5ncnn52)CCC4)C3)C[C@H](C)O1 ZINC000012145239 132355156 /nfs/dbraw/zinc/35/51/56/132355156.db2.gz NGJHXBIKQKVMSV-BETUJISGSA-N -1 1 422.493 0.873 40 0 HCABMM NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000012406805 132359408 /nfs/dbraw/zinc/35/94/08/132359408.db2.gz PJIAGSSRPHXXAL-CYBMUJFWSA-N -1 1 410.434 0.536 40 0 HCABMM NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000012406808 132359450 /nfs/dbraw/zinc/35/94/50/132359450.db2.gz PJIAGSSRPHXXAL-ZDUSSCGKSA-N -1 1 410.434 0.536 40 0 HCABMM Cn1cc(S(=O)(=O)[N-]c2ccc(I)cc2)c(=O)n(C)c1=O ZINC000012647684 560784107 /nfs/dbraw/zinc/78/41/07/560784107.db2.gz BBXWEGMLSCPBNJ-UHFFFAOYSA-N -1 1 421.216 0.489 40 0 HCABMM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000013581994 558545141 /nfs/dbraw/zinc/54/51/41/558545141.db2.gz OQJVPAHWKBNKFR-UHFFFAOYSA-N -1 1 407.189 0.777 40 0 HCABMM CCOC(=O)c1cnc(NCCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[n-]c1=O ZINC000016939524 560684373 /nfs/dbraw/zinc/68/43/73/560684373.db2.gz PLTMQSHVTUMHDS-UHFFFAOYSA-N -1 1 420.426 0.511 40 0 HCABMM COc1cccc(/C=c2/[n-]c(=O)/c(=C/c3cccc(OC)c3OC)[nH]c2=O)c1OC ZINC000017746888 560869831 /nfs/dbraw/zinc/86/98/31/560869831.db2.gz GRCRPGMWRAADHV-UKVBVZPVSA-N -1 1 410.426 0.755 40 0 HCABMM CC(=O)c1ccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)[n-]c(=O)c3C2)cc1 ZINC000019023182 558838366 /nfs/dbraw/zinc/83/83/66/558838366.db2.gz BNXZWKVAHMHSCM-UHFFFAOYSA-N -1 1 418.475 0.556 40 0 HCABMM Cc1ccc(Cn2nnnc2CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3C2)cc1 ZINC000019210494 558848142 /nfs/dbraw/zinc/84/81/42/558848142.db2.gz SDULBCOGMROFDY-UHFFFAOYSA-N -1 1 422.493 0.508 40 0 HCABMM COCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2 ZINC000019239473 558858120 /nfs/dbraw/zinc/85/81/20/558858120.db2.gz RWSDQWUPOGBEGM-QGZVFWFLSA-N -1 1 411.462 0.982 40 0 HCABMM COCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2 ZINC000019239474 558858004 /nfs/dbraw/zinc/85/80/04/558858004.db2.gz RWSDQWUPOGBEGM-KRWDZBQOSA-N -1 1 411.462 0.982 40 0 HCABMM O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1nnnn1Cc1cccs1)CC2 ZINC000019343850 132467008 /nfs/dbraw/zinc/46/70/08/132467008.db2.gz LAAXUPHWTPQMFK-UHFFFAOYSA-N -1 1 414.495 0.261 40 0 HCABMM O=c1[n-]c(N2CCCC2)nc2c1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019346316 558873642 /nfs/dbraw/zinc/87/36/42/558873642.db2.gz LXSMQPOGUGRXBC-UHFFFAOYSA-N -1 1 418.475 0.888 40 0 HCABMM O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1nnnn1CCc1ccccc1)CC2 ZINC000019371497 558879205 /nfs/dbraw/zinc/87/92/05/558879205.db2.gz KFBIHEJAYMAALX-UHFFFAOYSA-N -1 1 422.493 0.394 40 0 HCABMM O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1nnnn1Cc1ccccc1)CC2 ZINC000019372871 132467142 /nfs/dbraw/zinc/46/71/42/132467142.db2.gz XLWAQHBFIUBAIL-UHFFFAOYSA-N -1 1 408.466 0.200 40 0 HCABMM CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1 ZINC000019572639 558930947 /nfs/dbraw/zinc/93/09/47/558930947.db2.gz IBWDRWQLUCYCMC-INIZCTEOSA-N -1 1 417.491 0.850 40 0 HCABMM CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1 ZINC000019572642 558930945 /nfs/dbraw/zinc/93/09/45/558930945.db2.gz IBWDRWQLUCYCMC-MRXNPFEDSA-N -1 1 417.491 0.850 40 0 HCABMM NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)NCc2ccccc2)CC(=O)N3)CC1 ZINC000019819008 558289059 /nfs/dbraw/zinc/28/90/59/558289059.db2.gz OUILPMCOGZLISP-CQSZACIVSA-N -1 1 424.461 0.214 40 0 HCABMM NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)NCc2ccccc2)CC(=O)N3)CC1 ZINC000019819010 558288995 /nfs/dbraw/zinc/28/89/95/558288995.db2.gz OUILPMCOGZLISP-AWEZNQCLSA-N -1 1 424.461 0.214 40 0 HCABMM Nc1nc2[n-]c(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)nc2c(=O)[nH]1 ZINC000020458060 558370933 /nfs/dbraw/zinc/37/09/33/558370933.db2.gz IOWDHJYMHBSCQE-UHFFFAOYSA-N -1 1 403.443 0.808 40 0 HCABMM Nc1nc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[n-]c2c(=O)[nH]1 ZINC000020458060 558370929 /nfs/dbraw/zinc/37/09/29/558370929.db2.gz IOWDHJYMHBSCQE-UHFFFAOYSA-N -1 1 403.443 0.808 40 0 HCABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1 ZINC000022610388 558501686 /nfs/dbraw/zinc/50/16/86/558501686.db2.gz OFXVJVDMPVMZTK-CQSZACIVSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1 ZINC000022610390 558501569 /nfs/dbraw/zinc/50/15/69/558501569.db2.gz OFXVJVDMPVMZTK-AWEZNQCLSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1 ZINC000022610432 558501930 /nfs/dbraw/zinc/50/19/30/558501930.db2.gz VXBUXPIATVIRIY-CQSZACIVSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1 ZINC000022610433 558501902 /nfs/dbraw/zinc/50/19/02/558501902.db2.gz VXBUXPIATVIRIY-AWEZNQCLSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21 ZINC000022610459 558501881 /nfs/dbraw/zinc/50/18/81/558501881.db2.gz ICSICMDPQUNDPQ-CYBMUJFWSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21 ZINC000022610461 558501951 /nfs/dbraw/zinc/50/19/51/558501951.db2.gz ICSICMDPQUNDPQ-ZDUSSCGKSA-N -1 1 424.461 0.845 40 0 HCABMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(CC(=O)[O-])C(=O)C(C(N)=O)=C1C ZINC000035183207 558788969 /nfs/dbraw/zinc/78/89/69/558788969.db2.gz QCWLNUMBTLPJDP-MDWZMJQESA-N -1 1 410.386 0.525 40 0 HCABMM O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1nnnn1C1CCCCC1)CC2 ZINC000036734939 558801371 /nfs/dbraw/zinc/80/13/71/558801371.db2.gz HTAQGPVUOOETJA-UHFFFAOYSA-N -1 1 400.487 0.657 40 0 HCABMM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(c2c4c(nc5ncnn52)CCC4)C3)C[C@H](C)O1 ZINC000036734995 558801442 /nfs/dbraw/zinc/80/14/42/558801442.db2.gz NGJHXBIKQKVMSV-STQMWFEESA-N -1 1 422.493 0.873 40 0 HCABMM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c21 ZINC000037246185 558621712 /nfs/dbraw/zinc/62/17/12/558621712.db2.gz VFPGPPMQCHGMCT-XPOXBXFISA-N -1 1 418.398 0.277 40 0 HCABMM O=C1C[C@H](c2ccccc2)Oc2cc([O-])cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c21 ZINC000037246186 558621701 /nfs/dbraw/zinc/62/17/01/558621701.db2.gz VFPGPPMQCHGMCT-DKFMGZMOSA-N -1 1 418.398 0.277 40 0 HCABMM CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828107 558815739 /nfs/dbraw/zinc/81/57/39/558815739.db2.gz BFPQXFHOVUEDMN-CQSZACIVSA-N -1 1 411.418 0.874 40 0 HCABMM CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1 ZINC000038828108 558815826 /nfs/dbraw/zinc/81/58/26/558815826.db2.gz BFPQXFHOVUEDMN-AWEZNQCLSA-N -1 1 411.418 0.874 40 0 HCABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21 ZINC000038828173 558815816 /nfs/dbraw/zinc/81/58/16/558815816.db2.gz VTEAEAMNBFHPAG-GFCCVEGCSA-N -1 1 413.434 0.988 40 0 HCABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21 ZINC000038828174 558815792 /nfs/dbraw/zinc/81/57/92/558815792.db2.gz VTEAEAMNBFHPAG-LBPRGKRZSA-N -1 1 413.434 0.988 40 0 HCABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000055546096 560861827 /nfs/dbraw/zinc/86/18/27/560861827.db2.gz QONSTXKVTGOOTF-UHFFFAOYSA-N -1 1 400.434 0.687 40 0 HCABMM O=C(CCn1ncc2ccccc21)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1 ZINC000072346908 526691017 /nfs/dbraw/zinc/69/10/17/526691017.db2.gz IFXGKEZRJVUREK-UHFFFAOYSA-N -1 1 408.462 0.931 40 0 HCABMM O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1 ZINC000072346942 558943625 /nfs/dbraw/zinc/94/36/25/558943625.db2.gz XRZQGCKBERDLHR-UHFFFAOYSA-N -1 1 406.446 0.734 40 0 HCABMM O=C([O-])c1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1 ZINC000077264649 291184973 /nfs/dbraw/zinc/18/49/73/291184973.db2.gz CICGTKLZRMTYDK-KURKYZTESA-N -1 1 406.460 0.581 40 0 biogenic,in-vitro HCABMM Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccc(C(=O)[O-])cc3)[C@@H]2O)cc1 ZINC000077264788 291182159 /nfs/dbraw/zinc/18/21/59/291182159.db2.gz RDVKRZIRWYJGMH-QRVBRYPASA-N -1 1 420.487 0.890 40 0 biogenic,in-vitro HCABMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000103515113 560734078 /nfs/dbraw/zinc/73/40/78/560734078.db2.gz GNLTUOHPRFHECA-IKLLKDHHSA-N -1 1 413.430 0.451 40 0 HCABMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000103515114 560734064 /nfs/dbraw/zinc/73/40/64/560734064.db2.gz GNLTUOHPRFHECA-NHBSZSFCSA-N -1 1 413.430 0.451 40 0 HCABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)cc(C(=O)OC)c1 ZINC000223300029 568544514 /nfs/dbraw/zinc/54/45/14/568544514.db2.gz CHZHCJUWGUSZDV-UHFFFAOYSA-N -1 1 422.415 0.925 40 0 HCABMM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000223306493 568544784 /nfs/dbraw/zinc/54/47/84/568544784.db2.gz RYJUMGZTWJNAJW-UHFFFAOYSA-N -1 1 413.477 0.602 40 0 HCABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc2s1 ZINC000223312510 568544919 /nfs/dbraw/zinc/54/49/19/568544919.db2.gz OFVYDNKFOPPINV-UHFFFAOYSA-N -1 1 409.445 0.886 40 0 HCABMM O=C1C[C@@H](c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)Oc2cc([O-])ccc21 ZINC000253616140 558261871 /nfs/dbraw/zinc/26/18/71/558261871.db2.gz DEMKZLAVQYISIA-GGLFOPPFSA-N -1 1 418.398 0.277 40 0 endogenous,in-man HCABMM O=C1C[C@H](c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)Oc2cc([O-])ccc21 ZINC000253616141 558261878 /nfs/dbraw/zinc/26/18/78/558261878.db2.gz DEMKZLAVQYISIA-WTTLALBISA-N -1 1 418.398 0.277 40 0 endogenous,in-man HCABMM O=C(CCCN1Cc2ccccc2C1)N1C[C@H](O)[C@@H](n2cc(F)c(=O)[nH]c2=O)C1 ZINC000257281171 568798711 /nfs/dbraw/zinc/79/87/11/568798711.db2.gz ONYJXMMZJFSLOK-IRXDYDNUSA-N -1 1 402.426 0.628 40 0 HCABMM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000408586483 557492641 /nfs/dbraw/zinc/49/26/41/557492641.db2.gz AKBSYRHGBDMGRK-LLVKDONJSA-N -1 1 413.477 0.648 40 0 HCABMM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000408586489 557492535 /nfs/dbraw/zinc/49/25/35/557492535.db2.gz AKBSYRHGBDMGRK-NSHDSACASA-N -1 1 413.477 0.648 40 0 HCABMM C[C@]1(NCCNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCS(=O)(=O)C1 ZINC000575426424 569027174 /nfs/dbraw/zinc/02/71/74/569027174.db2.gz SUTVAPZGRVKXMO-AWEZNQCLSA-N -1 1 410.901 0.483 40 0 HCABMM C[C@@]1(NCCNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCS(=O)(=O)C1 ZINC000575426425 569027141 /nfs/dbraw/zinc/02/71/41/569027141.db2.gz SUTVAPZGRVKXMO-CQSZACIVSA-N -1 1 410.901 0.483 40 0 HCABMM