smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](NC(=O)[C@@H]1CCC[C@@H](F)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001118974655 939812723 /nfs/dbraw/zinc/81/27/23/939812723.db2.gz IXUHOFXVMWXRTP-NSODJVPESA-N -1 0 338.335 2.539 20 5 EFBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)[O-] ZINC001610939112 970797473 /nfs/dbraw/zinc/79/74/73/970797473.db2.gz WCVHTVNCDSNNDM-UHFFFAOYSA-N -1 0 343.339 2.999 20 5 EFBDRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001601430221 970994286 /nfs/dbraw/zinc/99/42/86/970994286.db2.gz YCJQBFNAZCKPIZ-ZIAGYGMSSA-N -1 0 332.356 2.602 20 5 EFBDRM O=C([O-])Cc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001602135535 971153445 /nfs/dbraw/zinc/15/34/45/971153445.db2.gz GSKRSQLKDYIPOD-UHFFFAOYSA-N -1 0 346.314 2.932 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001602176130 971164951 /nfs/dbraw/zinc/16/49/51/971164951.db2.gz SRCPTFFLXSSBEC-RRFJBIMHSA-N -1 0 346.383 2.802 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589561072 948808587 /nfs/dbraw/zinc/80/85/87/948808587.db2.gz FYKIUWMUZWRXFR-CYBMUJFWSA-N -1 0 334.372 2.535 20 5 EFBDRM CC[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001589576912 948964791 /nfs/dbraw/zinc/96/47/91/948964791.db2.gz HMTFPYHILVSHGZ-NSHDSACASA-N -1 0 336.325 2.738 20 5 EFBDRM O=C([O-])C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433553 949173577 /nfs/dbraw/zinc/17/35/77/949173577.db2.gz BHRRKDXUBQJSDF-MRVPVSSYSA-N -1 0 344.165 2.586 20 5 EFBDRM O=C([O-])c1cccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 ZINC001595239355 949440353 /nfs/dbraw/zinc/44/03/53/949440353.db2.gz VWUGCTQSLNHQOT-UHFFFAOYSA-N -1 0 341.279 2.922 20 5 EFBDRM CCN(C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)[C@H](C)C(=O)[O-] ZINC001589703927 950261317 /nfs/dbraw/zinc/26/13/17/950261317.db2.gz YLTPFLRQIQWLKB-MRVPVSSYSA-N -1 0 329.740 2.884 20 5 EFBDRM CCNc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001589960213 950737207 /nfs/dbraw/zinc/73/72/07/950737207.db2.gz NHBIFTDNMXVOLL-UHFFFAOYSA-N -1 0 329.312 2.977 20 5 EFBDRM O=C([O-])CC1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC001594979087 950972471 /nfs/dbraw/zinc/97/24/71/950972471.db2.gz SQOJPWIOEGWJIG-UHFFFAOYSA-N -1 0 340.763 2.694 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001595014788 951278211 /nfs/dbraw/zinc/27/82/11/951278211.db2.gz COURKHOEEGXERE-VBNZEHGJSA-N -1 0 346.383 2.802 20 5 EFBDRM CCOc1cc(NC(=O)CCCC(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC001592211121 951313000 /nfs/dbraw/zinc/31/30/00/951313000.db2.gz IMVQACKMGSYLIW-UHFFFAOYSA-N -1 0 340.332 2.586 20 5 EFBDRM O=C([O-])CCC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001595019867 951317014 /nfs/dbraw/zinc/31/70/14/951317014.db2.gz QOOZRIMCKNKCAB-UHFFFAOYSA-N -1 0 345.355 2.793 20 5 EFBDRM O=C([O-])CCCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC001595025092 951338689 /nfs/dbraw/zinc/33/86/89/951338689.db2.gz ZWAIBQQFFLBPOI-UHFFFAOYSA-N -1 0 348.277 2.741 20 5 EFBDRM O=C([O-])CCCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001595038636 951415839 /nfs/dbraw/zinc/41/58/39/951415839.db2.gz ULLNUEWGLCUCSZ-UHFFFAOYSA-N -1 0 346.343 2.910 20 5 EFBDRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001595138519 952068744 /nfs/dbraw/zinc/06/87/44/952068744.db2.gz SPUXVYOURQOUIL-CABCVRRESA-N -1 0 340.335 2.964 20 5 EFBDRM O=C([O-])[C@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001595194055 952296176 /nfs/dbraw/zinc/29/61/76/952296176.db2.gz CAXQKSWLJHZJPO-CYBMUJFWSA-N -1 0 340.763 2.647 20 5 EFBDRM C[C@@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001593592416 953378681 /nfs/dbraw/zinc/37/86/81/953378681.db2.gz CQKAXBAXTPQIHU-LLVKDONJSA-N -1 0 345.307 2.976 20 5 EFBDRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC001593609158 953446570 /nfs/dbraw/zinc/44/65/70/953446570.db2.gz OAUXHAYYSDPVPM-CQSZACIVSA-N -1 0 330.296 2.996 20 5 EFBDRM CC[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001593621657 953531698 /nfs/dbraw/zinc/53/16/98/953531698.db2.gz ZWZJHPPTHQZZPK-ZDUSSCGKSA-N -1 0 344.327 2.961 20 5 EFBDRM O=C([O-])c1cccc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001594771486 953560431 /nfs/dbraw/zinc/56/04/31/953560431.db2.gz SKSSNABOMIGZHR-UHFFFAOYSA-N -1 0 333.275 2.754 20 5 EFBDRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1Cl ZINC001594803704 953761533 /nfs/dbraw/zinc/76/15/33/953761533.db2.gz DIIQCMQGMIKVQF-UHFFFAOYSA-N -1 0 339.666 2.733 20 5 EFBDRM O=C([O-])[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC001594836902 954033207 /nfs/dbraw/zinc/03/32/07/954033207.db2.gz DKLXSQIAFJWOCB-JTQLQIEISA-N -1 0 332.234 2.663 20 5 EFBDRM C[C@@H]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589359283 954145939 /nfs/dbraw/zinc/14/59/39/954145939.db2.gz CIJJAQUQLDPZHH-BXKDBHETSA-N -1 0 333.319 2.829 20 5 EFBDRM O=C([O-])C1(c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CCC1 ZINC001594884561 954450400 /nfs/dbraw/zinc/45/04/00/954450400.db2.gz JKDATHPKWSBHQE-UHFFFAOYSA-N -1 0 329.268 2.897 20 5 EFBDRM CC(C)C[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603004791 972055066 /nfs/dbraw/zinc/05/50/66/972055066.db2.gz PBBKFJJEPIEIIH-LLVKDONJSA-N -1 0 342.779 2.654 20 5 EFBDRM CC[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC001589526847 955125190 /nfs/dbraw/zinc/12/51/90/955125190.db2.gz NDCYDRKEKDMHMR-OCCSQVGLSA-N -1 0 349.387 2.595 20 5 EFBDRM CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-] ZINC001589537354 955169207 /nfs/dbraw/zinc/16/92/07/955169207.db2.gz IFKBYJUWUAAOPV-QMMMGPOBSA-N -1 0 329.740 2.789 20 5 EFBDRM CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001589545501 955196156 /nfs/dbraw/zinc/19/61/56/955196156.db2.gz KSYQZRGEQTVBSE-SSDOTTSWSA-N -1 0 349.265 2.846 20 5 EFBDRM Cc1sc(NC(=O)[C@H](C)C(=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 ZINC001594512359 955400269 /nfs/dbraw/zinc/40/02/69/955400269.db2.gz QGBGGTKPBNWONK-ZETCQYMHSA-N -1 0 335.341 2.686 20 5 EFBDRM Cn1c2ccccc2c(NCCCCCC(=O)[O-])c([N+](=O)[O-])c1=O ZINC001594517157 955418153 /nfs/dbraw/zinc/41/81/53/955418153.db2.gz BWOOGIAGPQOXJE-UHFFFAOYSA-N -1 0 333.344 2.504 20 5 EFBDRM COC(=O)/C=C/c1ccc(N[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000841490847 955587038 /nfs/dbraw/zinc/58/70/38/955587038.db2.gz IZQNCCYQUWJMGE-IYNGYCSASA-N -1 0 336.344 2.692 20 5 EFBDRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843319899 955627809 /nfs/dbraw/zinc/62/78/09/955627809.db2.gz ZYUPDQDWCZCUER-UHFFFAOYSA-N -1 0 341.751 2.967 20 5 EFBDRM C[C@](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001589056694 955701832 /nfs/dbraw/zinc/70/18/32/955701832.db2.gz MESWVZFUFPNPAZ-QGZVFWFLSA-N -1 0 343.339 2.759 20 5 EFBDRM C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454249 955743866 /nfs/dbraw/zinc/74/38/66/955743866.db2.gz YTPGYTHXCZXRGP-JFUSQASVSA-N -1 0 338.335 2.599 20 5 EFBDRM C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454251 955744191 /nfs/dbraw/zinc/74/41/91/955744191.db2.gz YTPGYTHXCZXRGP-KPXOXKRLSA-N -1 0 338.335 2.599 20 5 EFBDRM C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848638965 955774351 /nfs/dbraw/zinc/77/43/51/955774351.db2.gz ZDBVIRMTAVRWMB-OUAUKWLOSA-N -1 0 332.360 2.790 20 5 EFBDRM C[C@@](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072114 955781050 /nfs/dbraw/zinc/78/10/50/955781050.db2.gz KEGIXBSSXZEKFB-INIZCTEOSA-N -1 0 345.311 2.957 20 5 EFBDRM C[C@@](CNc1c(Cl)cncc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072298 955783758 /nfs/dbraw/zinc/78/37/58/955783758.db2.gz VZHTXCBUXYLVFC-HNNXBMFYSA-N -1 0 335.747 2.520 20 5 EFBDRM COC(=O)c1ccnc(Nc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001593891163 955783949 /nfs/dbraw/zinc/78/39/49/955783949.db2.gz FNLXEIUJDGTNHB-UHFFFAOYSA-N -1 0 345.311 2.537 20 5 EFBDRM C[C@@](CNc1nc2sccn2c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072323 955785622 /nfs/dbraw/zinc/78/56/22/955785622.db2.gz XRBYVSLFIXAWDA-HNNXBMFYSA-N -1 0 346.368 2.758 20 5 EFBDRM C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114060 956075424 /nfs/dbraw/zinc/07/54/24/956075424.db2.gz BOSJFJCOYMXTRB-LPEHRKFASA-N -1 0 338.335 2.599 20 5 EFBDRM O=C([O-])C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000901481381 956321462 /nfs/dbraw/zinc/32/14/62/956321462.db2.gz UXVJCLCQPREQKN-UHFFFAOYSA-N -1 0 349.206 2.715 20 5 EFBDRM C[C@H](c1nc(C2(C(=O)[O-])CCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC001589182754 956541926 /nfs/dbraw/zinc/54/19/26/956541926.db2.gz PRXMHONANVTFMV-QMMMGPOBSA-N -1 0 335.291 2.775 20 5 EFBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001589196287 956609996 /nfs/dbraw/zinc/60/99/96/956609996.db2.gz VQPSZKONZYBDIA-ZDUSSCGKSA-N -1 0 347.154 2.838 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001589196286 956610033 /nfs/dbraw/zinc/61/00/33/956610033.db2.gz VQPSZKONZYBDIA-CYBMUJFWSA-N -1 0 347.154 2.838 20 5 EFBDRM C[C@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000923249836 957105944 /nfs/dbraw/zinc/10/59/44/957105944.db2.gz YASVJVYVYARGSC-MRVPVSSYSA-N -1 0 331.166 2.510 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000019413742 957109834 /nfs/dbraw/zinc/10/98/34/957109834.db2.gz OEXUHPCKPOTNHJ-UHFFFAOYSA-N -1 0 325.280 2.505 20 5 EFBDRM C[C@H](CN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC001603152451 972253134 /nfs/dbraw/zinc/25/31/34/972253134.db2.gz VBRSQIAJPXVIFO-SNVBAGLBSA-N -1 0 331.328 2.932 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001574777555 957774497 /nfs/dbraw/zinc/77/44/97/957774497.db2.gz HSXPFRSWRFSXOZ-UONOGXRCSA-N -1 0 327.340 2.690 20 5 EFBDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001594285875 957779078 /nfs/dbraw/zinc/77/90/78/957779078.db2.gz ZWONTBYVANXAGB-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCc2ccccc2C1 ZINC000082149529 957782773 /nfs/dbraw/zinc/78/27/73/957782773.db2.gz JFHOGCATCAWFLW-UHFFFAOYSA-N -1 0 343.295 2.764 20 5 EFBDRM Cc1cc(C)c(OC(=O)c2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001594296141 957873588 /nfs/dbraw/zinc/87/35/88/957873588.db2.gz IKOMDFCAJZTNBH-UHFFFAOYSA-N -1 0 345.307 2.894 20 5 EFBDRM COc1c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001594045943 957921742 /nfs/dbraw/zinc/92/17/42/957921742.db2.gz HASBWEYXSXLSNL-NSHDSACASA-N -1 0 338.360 2.613 20 5 EFBDRM COc1cc(C(=O)Nc2ccccc2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594050461 957980940 /nfs/dbraw/zinc/98/09/40/957980940.db2.gz DDDAXIKKBCDCAZ-UHFFFAOYSA-N -1 0 348.286 2.622 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594307365 957981441 /nfs/dbraw/zinc/98/14/41/957981441.db2.gz MPFPKTFTBNPKSN-DTWKUNHWSA-N -1 0 326.736 2.996 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594307882 957984531 /nfs/dbraw/zinc/98/45/31/957984531.db2.gz XXFHQXMCLQWNLA-UHFFFAOYSA-N -1 0 325.704 2.883 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001594308129 957988119 /nfs/dbraw/zinc/98/81/19/957988119.db2.gz MCYPVBHWSKCGJO-SNVBAGLBSA-N -1 0 328.752 2.643 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001594308279 957991136 /nfs/dbraw/zinc/99/11/36/957991136.db2.gz WNDKNQOZWMWDSU-UHFFFAOYSA-N -1 0 340.763 2.884 20 5 EFBDRM Cc1cc(F)cc(C(=O)NCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001594311380 958028151 /nfs/dbraw/zinc/02/81/51/958028151.db2.gz AOQAWOCYAXYHNC-UHFFFAOYSA-N -1 0 332.287 2.671 20 5 EFBDRM Cc1cc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c([N+](=O)[O-])s1 ZINC001594325843 958170953 /nfs/dbraw/zinc/17/09/53/958170953.db2.gz NIBUTWZDMXZLME-XIRUVYRFSA-N -1 0 326.374 2.789 20 5 EFBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000092922897 958191220 /nfs/dbraw/zinc/19/12/20/958191220.db2.gz BNLXXUGNSHGCAH-VXNVDRBHSA-N -1 0 329.150 2.657 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594329881 958208128 /nfs/dbraw/zinc/20/81/28/958208128.db2.gz SCWUQKVGVHOUJZ-CQSZACIVSA-N -1 0 347.302 2.990 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)CC2 ZINC001594331163 958220668 /nfs/dbraw/zinc/22/06/68/958220668.db2.gz NVHYLCFCNWYWFX-HWKANZROSA-N -1 0 342.307 2.797 20 5 EFBDRM Cc1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001594335997 958266216 /nfs/dbraw/zinc/26/62/16/958266216.db2.gz RPLASJGSNPIMIB-UHFFFAOYSA-N -1 0 335.341 2.830 20 5 EFBDRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001603218698 972334300 /nfs/dbraw/zinc/33/43/00/972334300.db2.gz HDQQXENMFUWWAY-BJPMOSCESA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001603218701 972334385 /nfs/dbraw/zinc/33/43/85/972334385.db2.gz HDQQXENMFUWWAY-PCGIRMHASA-N 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Cc1cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000089495401 292832997 /nfs/dbraw/zinc/83/29/97/292832997.db2.gz BHUOOAYBMAFSDI-UHFFFAOYSA-N -1 0 332.341 2.580 20 5 EFBDRM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119203375 292902487 /nfs/dbraw/zinc/90/24/87/292902487.db2.gz ROXFCSGQPZLWHE-ZDUSSCGKSA-N -1 0 328.324 2.726 20 5 EFBDRM COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000119252898 292903645 /nfs/dbraw/zinc/90/36/45/292903645.db2.gz PIXOZEIYWUQFSN-UHFFFAOYSA-N -1 0 336.731 2.892 20 5 EFBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000128680665 293111637 /nfs/dbraw/zinc/11/16/37/293111637.db2.gz VWYYTUUPDNQPGI-UHFFFAOYSA-N -1 0 325.321 2.547 20 5 EFBDRM O=C(NCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130250227 293158840 /nfs/dbraw/zinc/15/88/40/293158840.db2.gz WUYNHXNBDSNKEB-UHFFFAOYSA-N -1 0 329.337 2.840 20 5 EFBDRM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130345968 293162448 /nfs/dbraw/zinc/16/24/48/293162448.db2.gz XPHWMMQSKAZACU-UHFFFAOYSA-N -1 0 341.323 2.680 20 5 EFBDRM CC(=O)Nc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130402943 293164692 /nfs/dbraw/zinc/16/46/92/293164692.db2.gz CNLTZIADIFHKJF-UHFFFAOYSA-N -1 0 329.312 2.820 20 5 EFBDRM O=C(Nc1cnn(Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130427662 293165305 /nfs/dbraw/zinc/16/53/05/293165305.db2.gz RHZYKRSTVSPPRI-UHFFFAOYSA-N -1 0 338.323 2.798 20 5 EFBDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000131634397 293203148 /nfs/dbraw/zinc/20/31/48/293203148.db2.gz LLUCYAYYOYHPRS-UHFFFAOYSA-N -1 0 348.359 2.664 20 5 EFBDRM CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000132378882 293225861 /nfs/dbraw/zinc/22/58/61/293225861.db2.gz ADYZJKUVXLVTBS-UHFFFAOYSA-N -1 0 343.339 2.693 20 5 EFBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2ccccc2n1C ZINC000152498185 293336852 /nfs/dbraw/zinc/33/68/52/293336852.db2.gz PTSOJCPCNLOFQY-SNVBAGLBSA-N -1 0 340.339 2.678 20 5 EFBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1COc2ccccc21 ZINC000152873243 293351203 /nfs/dbraw/zinc/35/12/03/293351203.db2.gz WZZHIPMUXMNLDQ-MFKMUULPSA-N -1 0 328.324 2.595 20 5 EFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000158909911 293588315 /nfs/dbraw/zinc/58/83/15/293588315.db2.gz NJZAKRZHDAPSHI-UHFFFAOYSA-N -1 0 344.295 2.688 20 5 EFBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC1(C(=O)[O-])CCCCC1 ZINC000255470456 293860670 /nfs/dbraw/zinc/86/06/70/293860670.db2.gz OWLAJBLKAYMLBX-HJWRWDBZSA-N -1 0 332.356 2.759 20 5 EFBDRM O=C([N-]N1CCCCC1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291429178 294379321 /nfs/dbraw/zinc/37/93/21/294379321.db2.gz FAMKLURFSBNKRA-UHFFFAOYSA-N -1 0 332.143 2.559 20 5 EFBDRM C[C@@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)OCCc2sccc21 ZINC000291590149 294423941 /nfs/dbraw/zinc/42/39/41/294423941.db2.gz PVQZYLLYNHHVBM-INIZCTEOSA-N -1 0 348.380 2.580 20 5 EFBDRM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1cccnc1 ZINC000293667803 295023488 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ZINC000262175348 298204009 /nfs/dbraw/zinc/20/40/09/298204009.db2.gz PMIBTKRTMMFJFE-SNVBAGLBSA-N -1 0 334.372 2.970 20 5 EFBDRM C[C@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1)C(=O)[O-] ZINC000237374349 298477581 /nfs/dbraw/zinc/47/75/81/298477581.db2.gz XAJJFHJGJBLAFS-MRVPVSSYSA-N -1 0 326.736 2.574 20 5 EFBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000263532703 300054006 /nfs/dbraw/zinc/05/40/06/300054006.db2.gz XLWIOYLDEFBLMG-IUCAKERBSA-N -1 0 326.736 2.574 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000436818829 300193499 /nfs/dbraw/zinc/19/34/99/300193499.db2.gz WNDMCXUHHPQXSG-NSHDSACASA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000182914058 300193556 /nfs/dbraw/zinc/19/35/56/300193556.db2.gz RKFQVXMWWLJEGA-LRDDRELGSA-N -1 0 342.351 2.903 20 5 EFBDRM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436744788 300646965 /nfs/dbraw/zinc/64/69/65/300646965.db2.gz PSHNOUJRRUSXSX-GLEZIHRCSA-N -1 0 332.287 2.692 20 5 EFBDRM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000181214624 301125772 /nfs/dbraw/zinc/12/57/72/301125772.db2.gz QGGGPCNDHDCRQB-MRXNPFEDSA-N -1 0 340.335 2.555 20 5 EFBDRM Cc1cc(N(C)CCCC(=O)[O-])c(Br)cc1[N+](=O)[O-] ZINC000234292374 301329435 /nfs/dbraw/zinc/32/94/35/301329435.db2.gz BOOZNHPUKLBMRL-UHFFFAOYSA-N -1 0 331.166 2.967 20 5 EFBDRM Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)c(Br)cc1[N+](=O)[O-] ZINC000235855223 301342333 /nfs/dbraw/zinc/34/23/33/301342333.db2.gz KRMAWZOAKPUBKH-ZDUSSCGKSA-N -1 0 343.177 2.967 20 5 EFBDRM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)n[nH]1 ZINC000101666150 302464304 /nfs/dbraw/zinc/46/43/04/302464304.db2.gz COPJAQIEGFWATG-UHFFFAOYSA-N -1 0 339.311 2.646 20 5 EFBDRM Cc1nn(C)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc12 ZINC000436827779 302788912 /nfs/dbraw/zinc/78/89/12/302788912.db2.gz OOBRIYNJOSGASS-UHFFFAOYSA-N -1 0 326.312 2.748 20 5 EFBDRM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158231970 303821186 /nfs/dbraw/zinc/82/11/86/303821186.db2.gz WUIFVBDWQXSSBQ-HNNXBMFYSA-N -1 0 330.340 2.544 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2nc([C@@H]3COc4ccccc4O3)no2)cc1[O-] ZINC000350861784 304801580 /nfs/dbraw/zinc/80/15/80/304801580.db2.gz GHEKMYFMOYVQAS-AWEZNQCLSA-N -1 0 341.279 2.863 20 5 EFBDRM COc1ccsc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000135684130 310658166 /nfs/dbraw/zinc/65/81/66/310658166.db2.gz FRBFUPOATHJBQZ-UHFFFAOYSA-N -1 0 328.371 2.774 20 5 EFBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172149859 310757456 /nfs/dbraw/zinc/75/74/56/310757456.db2.gz VLSKMGKWHDCKCO-VOTSOKGWSA-N -1 0 346.792 2.655 20 5 EFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000299414610 311082349 /nfs/dbraw/zinc/08/23/49/311082349.db2.gz QBMWCPUFLZWADA-LLVKDONJSA-N -1 0 340.332 2.683 20 5 EFBDRM Nc1nc([N-]c2cnn(-c3ccc(Cl)cc3)c2)ncc1[N+](=O)[O-] ZINC000302435338 311189948 /nfs/dbraw/zinc/18/99/48/311189948.db2.gz QMESVSAHEASWQJ-UHFFFAOYSA-N -1 0 331.723 2.550 20 5 EFBDRM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319177453 311237086 /nfs/dbraw/zinc/23/70/86/311237086.db2.gz JAFGOWLXNTZFBI-MNOVXSKESA-N -1 0 330.381 2.981 20 5 EFBDRM O=C([O-])CCC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000324285209 311241509 /nfs/dbraw/zinc/24/15/09/311241509.db2.gz QEAVXLQYPCGBGF-VOTSOKGWSA-N -1 0 332.356 2.711 20 5 EFBDRM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000324714041 311242116 /nfs/dbraw/zinc/24/21/16/311242116.db2.gz DIUNWGDGRYVUQD-VYLZPFMQSA-N -1 0 332.356 2.711 20 5 EFBDRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000327145917 311244932 /nfs/dbraw/zinc/24/49/32/311244932.db2.gz WVCGYDXDPANPIN-INIZCTEOSA-N -1 0 335.360 2.524 20 5 EFBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000327476247 311245132 /nfs/dbraw/zinc/24/51/32/311245132.db2.gz KVAUFLDEQMBCEZ-YDZSZYSISA-N -1 0 340.335 2.593 20 5 EFBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000327913818 311245473 /nfs/dbraw/zinc/24/54/73/311245473.db2.gz BPSQCYXWTGHAEB-HNNXBMFYSA-N -1 0 341.323 2.638 20 5 EFBDRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000327660822 311245477 /nfs/dbraw/zinc/24/54/77/311245477.db2.gz HAPDMBVEDPUTTN-HNNXBMFYSA-N -1 0 349.387 2.818 20 5 EFBDRM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000331227772 311361602 /nfs/dbraw/zinc/36/16/02/311361602.db2.gz YUTUOEGXRISGAT-ZANVPECISA-N -1 0 328.752 2.953 20 5 EFBDRM CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000331227771 311361661 /nfs/dbraw/zinc/36/16/61/311361661.db2.gz YUTUOEGXRISGAT-TVQRCGJNSA-N -1 0 328.752 2.953 20 5 EFBDRM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)ccc1O ZINC000350566595 311806879 /nfs/dbraw/zinc/80/68/79/311806879.db2.gz KNIFVUQMHFRWFO-UHFFFAOYSA-N -1 0 329.268 2.732 20 5 EFBDRM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390189533 311950627 /nfs/dbraw/zinc/95/06/27/311950627.db2.gz SUVQXWRQUBNXNN-VIFPVBQESA-N -1 0 344.389 2.705 20 5 EFBDRM O=C([O-])CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000391843211 311953461 /nfs/dbraw/zinc/95/34/61/311953461.db2.gz NTPZGUGEQDYXEC-KTKRTIGZSA-N -1 0 326.308 2.726 20 5 EFBDRM CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC12CCOCC2 ZINC000412759312 312009001 /nfs/dbraw/zinc/00/90/01/312009001.db2.gz SXYWLHHRFHWSRU-OAHLLOKOSA-N -1 0 334.372 2.578 20 5 EFBDRM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000412877620 312028710 /nfs/dbraw/zinc/02/87/10/312028710.db2.gz ROSAUJVZPATDJG-ZFWWWQNUSA-N -1 0 342.351 2.843 20 5 EFBDRM O=C([O-])c1cc(C(=O)Nc2cnc3c(c2)CCCC3)cc([N+](=O)[O-])c1 ZINC000432105716 312551007 /nfs/dbraw/zinc/55/10/07/312551007.db2.gz FVHTZQDCWUCFTO-UHFFFAOYSA-N -1 0 341.323 2.819 20 5 EFBDRM CCOC(=O)c1cnc(C(C)=Cc2cc([O-])ccc2[N+](=O)[O-])[nH]c1=O ZINC000432703131 312578320 /nfs/dbraw/zinc/57/83/20/312578320.db2.gz BOVCCWLEERLDRW-RMKNXTFCSA-N -1 0 345.311 2.533 20 5 EFBDRM Cc1[nH]nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000436970396 312604217 /nfs/dbraw/zinc/60/42/17/312604217.db2.gz DJOOCDYRUZWZQP-UHFFFAOYSA-N -1 0 331.115 2.891 20 5 EFBDRM CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2o1 ZINC000436973072 312604929 /nfs/dbraw/zinc/60/49/29/312604929.db2.gz QUKPZXCCTPRVQZ-UHFFFAOYSA-N -1 0 342.311 2.760 20 5 EFBDRM CCCCn1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)n1 ZINC000436980369 312605405 /nfs/dbraw/zinc/60/54/05/312605405.db2.gz PPMSXINMEAYNIP-UHFFFAOYSA-N -1 0 332.360 2.535 20 5 EFBDRM CC(C)(C)Oc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436977784 312605479 /nfs/dbraw/zinc/60/54/79/312605479.db2.gz GNNNOMAQIQTSET-UHFFFAOYSA-N -1 0 345.355 2.803 20 5 EFBDRM COc1ccc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000436983116 312606200 /nfs/dbraw/zinc/60/62/00/312606200.db2.gz CGOXNMDSRVUVRQ-UHFFFAOYSA-N -1 0 332.312 2.594 20 5 EFBDRM COc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000437006225 312609216 /nfs/dbraw/zinc/60/92/16/312609216.db2.gz ZTSUFNWCCIEKSL-UHFFFAOYSA-N -1 0 346.339 2.508 20 5 EFBDRM CC(C)[C@H]1C[C@@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000450736266 312735929 /nfs/dbraw/zinc/73/59/29/312735929.db2.gz IAGXWRZPJKBXRJ-SWLSCSKDSA-N -1 0 346.387 2.930 20 5 EFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCc2ccccc2CC1 ZINC000456316814 313038649 /nfs/dbraw/zinc/03/86/49/313038649.db2.gz SLUVNGICYSIKDX-UHFFFAOYSA-N -1 0 326.352 2.932 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=NCCOc3cccc(F)c3)[n-]2)cc1 ZINC000486140159 313334167 /nfs/dbraw/zinc/33/41/67/313334167.db2.gz XDBKPEYMFZIACY-UHFFFAOYSA-N -1 0 344.302 2.697 20 5 EFBDRM CCCC(O)(CCC)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486924380 313347897 /nfs/dbraw/zinc/34/78/97/313347897.db2.gz JWTBJPVLABPNDH-UHFFFAOYSA-N -1 0 334.376 2.810 20 5 EFBDRM Cc1ccoc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000490332755 313643573 /nfs/dbraw/zinc/64/35/73/313643573.db2.gz QOFNOLMEZXBTPB-UHFFFAOYSA-N -1 0 330.749 2.628 20 5 EFBDRM O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000490713219 313669941 /nfs/dbraw/zinc/66/99/41/313669941.db2.gz JIAQZBKZHKRWBN-UHFFFAOYSA-N -1 0 343.295 2.509 20 5 EFBDRM O=C([O-])CCNC(=O)/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000492154763 313893841 /nfs/dbraw/zinc/89/38/41/313893841.db2.gz KOTORYSJOCHNHF-VURMDHGXSA-N -1 0 346.364 2.927 20 5 EFBDRM C[C@H](NC(=O)/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000492182150 313903471 /nfs/dbraw/zinc/90/34/71/313903471.db2.gz NYBIKYFJOJSIJT-RNKPRXRFSA-N -1 0 346.364 2.926 20 5 EFBDRM COc1ccc(/C=C/C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000492650496 314071516 /nfs/dbraw/zinc/07/15/16/314071516.db2.gz NOYBVWDKZQMFKX-XBXARRHUSA-N -1 0 344.323 2.970 20 5 EFBDRM COC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000492933490 314183242 /nfs/dbraw/zinc/18/32/42/314183242.db2.gz ZQUJXCQAWQYIGS-UHFFFAOYSA-N -1 0 345.311 2.755 20 5 EFBDRM Cc1oc(CN(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000493267022 314298088 /nfs/dbraw/zinc/29/80/88/314298088.db2.gz WWTRSFFNBCRJHR-SREVYHEPSA-N -1 0 344.323 2.866 20 5 EFBDRM CCc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000493280308 314301643 /nfs/dbraw/zinc/30/16/43/314301643.db2.gz LSUMXHFBNFISFW-UHFFFAOYSA-N -1 0 338.389 2.606 20 5 EFBDRM C[C@]1(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000493664134 314437066 /nfs/dbraw/zinc/43/70/66/314437066.db2.gz RNWIYWWPTGYAOL-LXQCCHTASA-N -1 0 332.356 2.758 20 5 EFBDRM COc1cccc(N=c2[n-]nc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000514758495 315559862 /nfs/dbraw/zinc/55/98/62/315559862.db2.gz MBCUWVYLMXOSJG-UHFFFAOYSA-N -1 0 325.328 2.564 20 5 EFBDRM COc1ccccc1[C@@]1(C)C[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514939494 315578249 /nfs/dbraw/zinc/57/82/49/315578249.db2.gz NPRPVEWDQDWTPR-CXAGYDPISA-N -1 0 343.339 2.839 20 5 EFBDRM COc1ccccc1[C@]1(C)C[C@@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514939499 315578447 /nfs/dbraw/zinc/57/84/47/315578447.db2.gz NPRPVEWDQDWTPR-GUYCJALGSA-N -1 0 343.339 2.839 20 5 EFBDRM CCCC[C@H](Sc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(=O)[O-] ZINC000515339784 315609404 /nfs/dbraw/zinc/60/94/04/315609404.db2.gz ULCZIHQIYNUVOT-JTQLQIEISA-N -1 0 347.414 2.734 20 5 EFBDRM CCOc1ccc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000516773560 315703611 /nfs/dbraw/zinc/70/36/11/315703611.db2.gz VAKONJSYKXQARH-PWSUYJOCSA-N -1 0 338.360 2.613 20 5 EFBDRM Cc1cccc(CCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000519712074 315900859 /nfs/dbraw/zinc/90/08/59/315900859.db2.gz XRPJNSDASKVOAP-UHFFFAOYSA-N -1 0 329.356 2.970 20 5 EFBDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524018646 316144517 /nfs/dbraw/zinc/14/45/17/316144517.db2.gz KYBDXANZKRUCLU-UHFFFAOYSA-N -1 0 331.353 2.887 20 5 EFBDRM Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1C(=O)[O-] ZINC000534903268 317565437 /nfs/dbraw/zinc/56/54/37/317565437.db2.gz BGUXGZDHGWMVDD-UHFFFAOYSA-N -1 0 344.279 2.582 20 5 EFBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537401394 317668692 /nfs/dbraw/zinc/66/86/92/317668692.db2.gz QESHXMLAVVKJIW-UHFFFAOYSA-N -1 0 344.279 2.582 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2noc(C(C)C)n2)c1C ZINC000538695702 317702249 /nfs/dbraw/zinc/70/22/49/317702249.db2.gz NIHAZTVLPNIQOS-UHFFFAOYSA-N -1 0 340.361 2.519 20 5 EFBDRM CCOC(=O)c1ccnc([N-]c2cc(C)n([C@@H](C)CC)n2)c1[N+](=O)[O-] ZINC000540495362 317745643 /nfs/dbraw/zinc/74/56/43/317745643.db2.gz VONASHFKBMRQNG-JTQLQIEISA-N -1 0 347.375 2.808 20 5 EFBDRM CCc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000540776545 317750835 /nfs/dbraw/zinc/75/08/35/317750835.db2.gz LQBNGLUEKAKHRA-UHFFFAOYSA-N -1 0 342.351 2.828 20 5 EFBDRM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541719751 317786913 /nfs/dbraw/zinc/78/69/13/317786913.db2.gz JDTZMEBYLXSOHH-UHFFFAOYSA-N -1 0 336.687 2.935 20 5 EFBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2cc(F)ccc21 ZINC000541861817 317793796 /nfs/dbraw/zinc/79/37/96/317793796.db2.gz GKIKRCBFJUGDHI-UHFFFAOYSA-N -1 0 331.303 2.536 20 5 EFBDRM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547340229 317998001 /nfs/dbraw/zinc/99/80/01/317998001.db2.gz SKGUMHUUVIFXGE-UHFFFAOYSA-N -1 0 347.352 2.523 20 5 EFBDRM CCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000547794051 318042781 /nfs/dbraw/zinc/04/27/81/318042781.db2.gz WEMWCRNVMFYPCA-UHFFFAOYSA-N -1 0 343.339 2.579 20 5 EFBDRM COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000548120682 318075773 /nfs/dbraw/zinc/07/57/73/318075773.db2.gz CFJURLCXSKPWAC-UHFFFAOYSA-N -1 0 332.312 2.594 20 5 EFBDRM COc1ccc(OCCN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548762804 318141212 /nfs/dbraw/zinc/14/12/12/318141212.db2.gz XPSDLZFHWIMCIZ-UHFFFAOYSA-N -1 0 346.339 2.817 20 5 EFBDRM CC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000549514431 318175887 /nfs/dbraw/zinc/17/58/87/318175887.db2.gz KRZJYWHEVLBTAR-UHFFFAOYSA-N -1 0 348.249 2.547 20 5 EFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC=C(c2ccccn2)C1 ZINC000552741027 318262352 /nfs/dbraw/zinc/26/23/52/318262352.db2.gz UIWYYWBWTZAIQY-UHFFFAOYSA-N -1 0 325.324 2.625 20 5 EFBDRM O=C([O-])c1cc(N2CCO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000554530108 318320821 /nfs/dbraw/zinc/32/08/21/318320821.db2.gz IDMKEIUHMGQMMX-MRXNPFEDSA-N -1 0 328.324 2.871 20 5 EFBDRM COc1ccccc1OCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000554530132 318320968 /nfs/dbraw/zinc/32/09/68/318320968.db2.gz MTVYYWGKTPFVPK-UHFFFAOYSA-N -1 0 332.312 2.793 20 5 EFBDRM O=C([O-])c1cc(NCCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000554530126 318320980 /nfs/dbraw/zinc/32/09/80/318320980.db2.gz MLJHAVHIARHGNI-UHFFFAOYSA-N -1 0 330.296 2.676 20 5 EFBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1nnc2ccccn21 ZINC000560623263 318569439 /nfs/dbraw/zinc/56/94/39/318569439.db2.gz UWNFWCCZZBKCTJ-VIFPVBQESA-N -1 0 327.300 2.509 20 5 EFBDRM O=C(N[C@H]1CCOC2(CCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563193245 318751710 /nfs/dbraw/zinc/75/17/10/318751710.db2.gz IWQXITUGJJFFBP-JTQLQIEISA-N -1 0 340.763 2.785 20 5 EFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1[C@H]1CCCO1 ZINC000563194138 318751871 /nfs/dbraw/zinc/75/18/71/318751871.db2.gz VAUBSFOLCSPVDO-WCQYABFASA-N -1 0 340.763 2.737 20 5 EFBDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1[N+](=O)[O-] ZINC000563281555 318763330 /nfs/dbraw/zinc/76/33/30/318763330.db2.gz BZDQSAHGBBPPHX-UHFFFAOYSA-N -1 0 348.355 2.925 20 5 EFBDRM COCc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000564572665 318871348 /nfs/dbraw/zinc/87/13/48/318871348.db2.gz SMVFUDRSZVKHFT-LBPRGKRZSA-N -1 0 347.327 2.769 20 5 EFBDRM O=C([O-])Cc1ccc(NCCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000565036382 318925587 /nfs/dbraw/zinc/92/55/87/318925587.db2.gz TZTFBVQZHAQUNW-BBRMVZONSA-N -1 0 336.388 2.965 20 5 EFBDRM Cc1ccccc1O[C@H](C)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565036364 318925705 /nfs/dbraw/zinc/92/57/05/318925705.db2.gz TUMJVMKCTNWBFR-LLVKDONJSA-N -1 0 331.328 2.876 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccc3F)C2)n1 ZINC000565036848 318925831 /nfs/dbraw/zinc/92/58/31/318925831.db2.gz VPRWQAPPZSFSTH-SNVBAGLBSA-N -1 0 346.318 2.518 20 5 EFBDRM O=C([O-])c1cccc(NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000565040962 318926228 /nfs/dbraw/zinc/92/62/28/318926228.db2.gz NKKLPUCNPXAXJX-UHFFFAOYSA-N -1 0 342.355 2.769 20 5 EFBDRM COc1ccc(CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C2CC2)cc1 ZINC000565777083 319001592 /nfs/dbraw/zinc/00/15/92/319001592.db2.gz OFMRSPLCVAIWEC-UHFFFAOYSA-N -1 0 343.339 2.866 20 5 EFBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C(=O)[O-])C1 ZINC000565811720 319004082 /nfs/dbraw/zinc/00/40/82/319004082.db2.gz AKPKTHKGRQHEJT-UFBFGSQYSA-N -1 0 341.751 2.965 20 5 EFBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000565811719 319004244 /nfs/dbraw/zinc/00/42/44/319004244.db2.gz AKPKTHKGRQHEJT-QPUJVOFHSA-N -1 0 341.751 2.965 20 5 EFBDRM CC(C)OCCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566071340 319028692 /nfs/dbraw/zinc/02/86/92/319028692.db2.gz UFOVPBLCQMAPKI-UHFFFAOYSA-N -1 0 330.768 2.889 20 5 EFBDRM CC(C)(C)n1cnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000566276310 319056103 /nfs/dbraw/zinc/05/61/03/319056103.db2.gz KQUYRWCZBDSXCW-UHFFFAOYSA-N -1 0 339.739 2.553 20 5 EFBDRM CO[C@H](CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C(F)(F)F ZINC000566291427 319058462 /nfs/dbraw/zinc/05/84/62/319058462.db2.gz IRVGRJMCKVWCQO-LLVKDONJSA-N -1 0 336.266 2.981 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2c2cccnc2)n1 ZINC000566293156 319058785 /nfs/dbraw/zinc/05/87/85/319058785.db2.gz HTBXUYNCQSDGEX-IINYFYTJSA-N -1 0 342.355 2.979 20 5 EFBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000566294110 319058819 /nfs/dbraw/zinc/05/88/19/319058819.db2.gz SFULIHBJVWHNAE-NHYWBVRUSA-N -1 0 343.339 2.654 20 5 EFBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000566294111 319059020 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337.376 2.941 20 5 EFBDRM O=C([O-])c1cnc(N2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000567169876 319145105 /nfs/dbraw/zinc/14/51/05/319145105.db2.gz DIXKVQOZCMRNMV-NSHDSACASA-N -1 0 331.303 2.821 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000567170350 319145196 /nfs/dbraw/zinc/14/51/96/319145196.db2.gz YODAJBBFOVSVBC-GOSISDBHSA-N -1 0 341.367 2.839 20 5 EFBDRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567474717 319175652 /nfs/dbraw/zinc/17/56/52/319175652.db2.gz OYQNFUOSOZWWAY-RNCFNFMXSA-N -1 0 342.779 2.796 20 5 EFBDRM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000567505228 319178997 /nfs/dbraw/zinc/17/89/97/319178997.db2.gz REHMQMYKLQMJFU-CHWSQXEVSA-N -1 0 335.404 2.754 20 5 EFBDRM CC(C)(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000567590741 319186059 /nfs/dbraw/zinc/18/60/59/319186059.db2.gz AUDCRIZMBTUEIY-GFCCVEGCSA-N -1 0 342.779 2.841 20 5 EFBDRM O=C([O-])c1cnc(N2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000567739554 319205666 /nfs/dbraw/zinc/20/56/66/319205666.db2.gz VDKJGFGGTPTKHO-LBPRGKRZSA-N -1 0 343.339 2.593 20 5 EFBDRM CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000567941503 319228519 /nfs/dbraw/zinc/22/85/19/319228519.db2.gz VIYKBUDTXDOAPJ-VIFPVBQESA-N -1 0 330.793 2.921 20 5 EFBDRM COc1cccc2c1CC[C@@H]2Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567978625 319232865 /nfs/dbraw/zinc/23/28/65/319232865.db2.gz MOZPLUFDBVHXRO-NSHDSACASA-N -1 0 329.312 2.796 20 5 EFBDRM COc1ccc([C@@H]2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)cc1 ZINC000567981036 319233166 /nfs/dbraw/zinc/23/31/66/319233166.db2.gz YDUHRDRLNJCKHQ-GFCCVEGCSA-N -1 0 343.339 2.691 20 5 EFBDRM Cc1cccc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000567985425 319233587 /nfs/dbraw/zinc/23/35/87/319233587.db2.gz XEGBMZBZMVOIMW-CJNGLKHVSA-N -1 0 334.372 2.609 20 5 EFBDRM O=C([O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000568064832 319242880 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344.389 2.540 20 5 EFBDRM CCOc1ncccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569007148 319339909 /nfs/dbraw/zinc/33/99/09/319339909.db2.gz FITBWEGMDBTIPI-UHFFFAOYSA-N -1 0 331.328 2.628 20 5 EFBDRM O=C([O-])c1ccnc(NC[C@@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000570400174 319473460 /nfs/dbraw/zinc/47/34/60/319473460.db2.gz RWESVEGMRCDIOL-WFASDCNBSA-N -1 0 343.339 2.878 20 5 EFBDRM Cc1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570687718 319503801 /nfs/dbraw/zinc/50/38/01/319503801.db2.gz ZNIAFJBZHAIKPX-CHWSQXEVSA-N -1 0 334.372 2.854 20 5 EFBDRM Cc1cc(N2CC[C@@H](Oc3ccncc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572367437 319663164 /nfs/dbraw/zinc/66/31/64/319663164.db2.gz ZZOLIAIDAUXJPF-CQSZACIVSA-N -1 0 343.339 2.654 20 5 EFBDRM O=[N+]([O-])c1ccccc1-c1ccc(CN=c2[n-]nc(CO)s2)s1 ZINC000572939513 319718267 /nfs/dbraw/zinc/71/82/67/319718267.db2.gz FRFGPLOZSZLIDK-UHFFFAOYSA-N -1 0 348.409 2.701 20 5 EFBDRM CC(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000573278296 319750545 /nfs/dbraw/zinc/75/05/45/319750545.db2.gz BJTLSASQPAIXSU-LLVKDONJSA-N -1 0 329.740 2.869 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(OC(C)(C)C)CC2)n1 ZINC000573850679 319804877 /nfs/dbraw/zinc/80/48/77/319804877.db2.gz YNQWNCVCBLEJGU-UHFFFAOYSA-N -1 0 337.376 2.780 20 5 EFBDRM O=C([O-])c1cnc(NCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000574042991 319824703 /nfs/dbraw/zinc/82/47/03/319824703.db2.gz FDYLXTHPHVPOFG-UHFFFAOYSA-N -1 0 348.384 2.678 20 5 EFBDRM CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000574230230 319842758 /nfs/dbraw/zinc/84/27/58/319842758.db2.gz MVSAEDNOIITLTG-OAHLLOKOSA-N -1 0 343.339 2.754 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(Cc2cccnc2)C2CC2)n1 ZINC000576351319 320008397 /nfs/dbraw/zinc/00/83/97/320008397.db2.gz UWDZJGUNHSLMPU-UHFFFAOYSA-N -1 0 328.328 2.560 20 5 EFBDRM Cc1cccc(O[C@H](C)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000576639994 320034724 /nfs/dbraw/zinc/03/47/24/320034724.db2.gz MVAXCVPMJIPNPY-LLVKDONJSA-N -1 0 331.328 2.876 20 5 EFBDRM Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377531 320105248 /nfs/dbraw/zinc/10/52/48/320105248.db2.gz NBYXTXWGGAITFO-NSHDSACASA-N -1 0 330.344 2.709 20 5 EFBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000577517767 320118615 /nfs/dbraw/zinc/11/86/15/320118615.db2.gz KOHNBYHEHLTGBT-RISCZKNCSA-N -1 0 343.339 2.654 20 5 EFBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000577517765 320118707 /nfs/dbraw/zinc/11/87/07/320118707.db2.gz KOHNBYHEHLTGBT-BXUZGUMPSA-N -1 0 343.339 2.654 20 5 EFBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(Cl)c1 ZINC000577783637 320143799 /nfs/dbraw/zinc/14/37/99/320143799.db2.gz CPHCAWGSRDQAMW-UHFFFAOYSA-N -1 0 336.731 2.763 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)[C@@H]2COc3ccccc32)n1 ZINC000578326428 320195541 /nfs/dbraw/zinc/19/55/41/320195541.db2.gz VXNOCKNTADYBPE-MFKMUULPSA-N -1 0 343.339 2.973 20 5 EFBDRM CC(C)(C(=O)[O-])C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000578445777 320207685 /nfs/dbraw/zinc/20/76/85/320207685.db2.gz SDNNRNJJLNYLNR-UHFFFAOYSA-N -1 0 333.388 2.890 20 5 EFBDRM Cc1cc(N[C@@H](C)COCC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578656177 320226965 /nfs/dbraw/zinc/22/69/65/320226965.db2.gz KWGGGDDWURCFSZ-QMMMGPOBSA-N -1 0 336.266 2.981 20 5 EFBDRM O=C([O-])c1cc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000578655955 320227043 /nfs/dbraw/zinc/22/70/43/320227043.db2.gz BMQGJLJKDFFGAC-GOEBONIOSA-N -1 0 334.372 2.670 20 5 EFBDRM COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)cc1 ZINC000020462226 323211497 /nfs/dbraw/zinc/21/14/97/323211497.db2.gz ODWJVGLABBJMOO-UHFFFAOYSA-N -1 0 346.324 2.967 20 5 EFBDRM CN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000026738388 323212782 /nfs/dbraw/zinc/21/27/82/323212782.db2.gz MLDFUHRGWFPFTN-UHFFFAOYSA-N -1 0 330.369 2.937 20 5 EFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000182467783 323284534 /nfs/dbraw/zinc/28/45/34/323284534.db2.gz WATMTCMSKZFFJN-UHFFFAOYSA-N -1 0 336.369 2.972 20 5 EFBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000183142727 323319108 /nfs/dbraw/zinc/31/91/08/323319108.db2.gz BHKDWFZZNLBTLW-UHFFFAOYSA-N -1 0 326.330 2.614 20 5 EFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1coc(Br)c1 ZINC000183906055 323350707 /nfs/dbraw/zinc/35/07/07/323350707.db2.gz ADTKRIOGRPUJOE-UHFFFAOYSA-N -1 0 327.090 2.908 20 5 EFBDRM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180156057 533706406 /nfs/dbraw/zinc/70/64/06/533706406.db2.gz WRYFYVSLIAZMOV-LLVKDONJSA-N -1 0 328.324 2.692 20 5 EFBDRM O=C([O-])c1cnc(N2CCC[C@H]2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000579249314 323918988 /nfs/dbraw/zinc/91/89/88/323918988.db2.gz VKGBFTXGNFXOBA-ZDUSSCGKSA-N -1 0 343.339 2.736 20 5 EFBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000579358958 323942023 /nfs/dbraw/zinc/94/20/23/323942023.db2.gz BGYOEFDFTZIXRQ-ZANVPECISA-N -1 0 349.368 2.716 20 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478952524 /nfs/dbraw/zinc/95/25/24/478952524.db2.gz PNWBONGXPJFRCV-HNNXBMFYSA-N -1 0 345.355 2.839 20 5 EFBDRM CS[C@H]1CCCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573003838 478972162 /nfs/dbraw/zinc/97/21/62/478972162.db2.gz BXHRHFIJEQFKRZ-JTQLQIEISA-N -1 0 325.390 2.718 20 5 EFBDRM COCCC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000565364109 478988947 /nfs/dbraw/zinc/98/89/47/478988947.db2.gz HBMMVIKXRNDAEM-UHFFFAOYSA-N -1 0 328.752 2.643 20 5 EFBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C(=O)[O-] ZINC000583994330 478989140 /nfs/dbraw/zinc/98/91/40/478989140.db2.gz XFHGDNWQLWMXIY-WCBMZHEXSA-N -1 0 330.287 2.743 20 5 EFBDRM Cc1cc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000573093117 478989675 /nfs/dbraw/zinc/98/96/75/478989675.db2.gz CDDUZQKTHRUYNB-HOCLYGCPSA-N -1 0 334.372 2.609 20 5 EFBDRM Cc1noc(C)c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583996012 478990955 /nfs/dbraw/zinc/99/09/55/478990955.db2.gz FOSWZHZJFXBCHN-UHFFFAOYSA-N -1 0 339.735 2.531 20 5 EFBDRM CCO[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592753856 479028393 /nfs/dbraw/zinc/02/83/93/479028393.db2.gz WKWIQPIDLGTWDW-SNVBAGLBSA-N -1 0 328.752 2.595 20 5 EFBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)CO1 ZINC000592764145 479032455 /nfs/dbraw/zinc/03/24/55/479032455.db2.gz MIOJFNRYYQMXOR-UHFFFAOYSA-N -1 0 342.779 2.983 20 5 EFBDRM C[C@]1(CCCO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592784056 479041868 /nfs/dbraw/zinc/04/18/68/479041868.db2.gz XQNAGKJIFBXBRF-OAHLLOKOSA-N -1 0 342.779 2.721 20 5 EFBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCCO1 ZINC000592786537 479043538 /nfs/dbraw/zinc/04/35/38/479043538.db2.gz DRVOZHGAZAVQLJ-PRHODGIISA-N -1 0 328.752 2.641 20 5 EFBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C2CC2)O1 ZINC000592795841 479047039 /nfs/dbraw/zinc/04/70/39/479047039.db2.gz IMIJVNKLWQYVBL-SDBXPKJASA-N -1 0 340.763 2.593 20 5 EFBDRM 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Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594349881 958340919 /nfs/dbraw/zinc/34/09/19/958340919.db2.gz PKQVIPYICLKGBY-RTXFEEFZSA-N -1 0 335.360 2.517 20 5 EFBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588487851 958628070 /nfs/dbraw/zinc/62/80/70/958628070.db2.gz LCRCHJSNRBHPHE-VAWYXSNFSA-N -1 0 332.356 2.711 20 5 EFBDRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1[N+](=O)[O-] ZINC001573462425 958917321 /nfs/dbraw/zinc/91/73/21/958917321.db2.gz AJBOFEPKHITCSX-UHFFFAOYSA-N -1 0 332.316 2.566 20 5 EFBDRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001588548325 959005620 /nfs/dbraw/zinc/00/56/20/959005620.db2.gz NFFRRVZFMDFWHK-GARJFASQSA-N -1 0 338.335 2.549 20 5 EFBDRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551022 959017598 /nfs/dbraw/zinc/01/75/98/959017598.db2.gz MYULQYQBLJHPCS-GHMZBOCLSA-N -1 0 338.335 2.693 20 5 EFBDRM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551311 959024732 /nfs/dbraw/zinc/02/47/32/959024732.db2.gz DSMZTVXLJUSCST-GPCCPHFNSA-N -1 0 338.335 2.692 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594192666 959172312 /nfs/dbraw/zinc/17/23/12/959172312.db2.gz FLYWSUMXGLQBLL-UHFFFAOYSA-N -1 0 333.325 2.662 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001594193706 959181348 /nfs/dbraw/zinc/18/13/48/959181348.db2.gz XNWQKHXPGWBSSR-VHSXEESVSA-N -1 0 338.385 2.642 20 5 EFBDRM CC(C)Oc1cc(C(=O)Nc2cncc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001573554844 959247861 /nfs/dbraw/zinc/24/78/61/959247861.db2.gz IBSMWGNEOUDDFR-UHFFFAOYSA-N -1 0 345.311 2.728 20 5 EFBDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC001588585573 959305827 /nfs/dbraw/zinc/30/58/27/959305827.db2.gz BVQMWSPNFIWEDU-VIFPVBQESA-N -1 0 344.327 2.612 20 5 EFBDRM C[C@@H](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001573592201 959404834 /nfs/dbraw/zinc/40/48/34/959404834.db2.gz VCOZDIRKWXNPCR-XHDPSFHLSA-N -1 0 334.372 2.706 20 5 EFBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(C(=O)[O-])c1 ZINC001594461069 959461912 /nfs/dbraw/zinc/46/19/12/959461912.db2.gz ZNDPNOAKUGAGPP-UHFFFAOYSA-N -1 0 340.133 2.609 20 5 EFBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001588610238 959504786 /nfs/dbraw/zinc/50/47/86/959504786.db2.gz YJLPXBBFXQFFET-UHFFFAOYSA-N -1 0 342.351 2.887 20 5 EFBDRM C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001594239815 959525267 /nfs/dbraw/zinc/52/52/67/959525267.db2.gz PPVYYUQDFCGZIY-NSHDSACASA-N -1 0 344.323 2.549 20 5 EFBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001588640746 959688458 /nfs/dbraw/zinc/68/84/58/959688458.db2.gz MQJRLSCKMWVAPQ-GFCCVEGCSA-N -1 0 331.328 2.828 20 5 EFBDRM CC(C)(C)CC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588649713 959753897 /nfs/dbraw/zinc/75/38/97/959753897.db2.gz 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CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CC(=O)[O-] ZINC001331048941 961359926 /nfs/dbraw/zinc/35/99/26/961359926.db2.gz IHCTXGWRVMSYGW-UHFFFAOYSA-N -1 0 328.752 2.502 20 5 EFBDRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001588803102 961438894 /nfs/dbraw/zinc/43/88/94/961438894.db2.gz MLQBUDCFPKFMMZ-HIFRSBDPSA-N -1 0 334.372 2.658 20 5 EFBDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001588809183 961506807 /nfs/dbraw/zinc/50/68/07/961506807.db2.gz FFJCIAHIEJZRGX-JTQLQIEISA-N -1 0 334.250 2.909 20 5 EFBDRM CCOc1cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001573920336 961529627 /nfs/dbraw/zinc/52/96/27/961529627.db2.gz LBDCZCANWNRPIO-UHFFFAOYSA-N -1 0 339.348 2.616 20 5 EFBDRM CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001588827344 961680482 /nfs/dbraw/zinc/68/04/82/961680482.db2.gz RKLASZWXPATKGS-LLVKDONJSA-N -1 0 346.343 2.621 20 5 EFBDRM CC(C)C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588854847 961964700 /nfs/dbraw/zinc/96/47/00/961964700.db2.gz MPAZBLHXQPRVIZ-SECBINFHSA-N -1 0 346.742 2.864 20 5 EFBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC001574557331 961998641 /nfs/dbraw/zinc/99/86/41/961998641.db2.gz JFONAJUMGZQFCQ-DOMZBBRYSA-N -1 0 344.298 2.777 20 5 EFBDRM CC(C)C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC001588894311 962223318 /nfs/dbraw/zinc/22/33/18/962223318.db2.gz KISGWELSCNWTTO-JTQLQIEISA-N -1 0 326.324 2.601 20 5 EFBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001588915977 962341845 /nfs/dbraw/zinc/34/18/45/962341845.db2.gz GXJVRCYDZOEXAE-UHFFFAOYSA-N -1 0 334.250 2.549 20 5 EFBDRM O=C([O-])c1cncnc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000312160127 963539723 /nfs/dbraw/zinc/53/97/23/963539723.db2.gz JOMLVSVHXJQVDR-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM O=C([O-])c1cnoc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000312505200 963570547 /nfs/dbraw/zinc/57/05/47/963570547.db2.gz YQJDCFSAENGZCL-UHFFFAOYSA-N -1 0 343.089 2.623 20 5 EFBDRM C[C@@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000693448377 968933962 /nfs/dbraw/zinc/93/39/62/968933962.db2.gz SAFBIMQNOKCKOY-RKDXNWHRSA-N -1 0 343.177 2.904 20 5 EFBDRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000843317010 969235283 /nfs/dbraw/zinc/23/52/83/969235283.db2.gz DKTFEFJCDNAFLJ-SCZZXKLOSA-N -1 0 341.751 2.823 20 5 EFBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000843319010 969235486 /nfs/dbraw/zinc/23/54/86/969235486.db2.gz KIHNFEUAMVOVKI-WCBMZHEXSA-N -1 0 341.751 2.823 20 5 EFBDRM CC(C)(C)c1ccc(NC(=O)CSCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609777436 970524121 /nfs/dbraw/zinc/52/41/21/970524121.db2.gz NVULMEACRFPRJF-UHFFFAOYSA-N -1 0 326.374 2.649 20 5 EFBDRM CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001609805151 970535346 /nfs/dbraw/zinc/53/53/46/970535346.db2.gz PDQWJNSSTOEUEM-LLVKDONJSA-N -1 0 348.277 2.843 20 5 EFBDRM C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC001609982837 970631405 /nfs/dbraw/zinc/63/14/05/970631405.db2.gz YBCHQUIVTTWXQP-ZETCQYMHSA-N -1 0 347.273 2.589 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001610132540 970679243 /nfs/dbraw/zinc/67/92/43/970679243.db2.gz AGLSYLOGEGBPPN-LSDHHAIUSA-N -1 0 348.399 2.877 20 5 EFBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001603292410 972554019 /nfs/dbraw/zinc/55/40/19/972554019.db2.gz JYSLLNOYLCJKGT-OAHLLOKOSA-N -1 0 340.763 2.647 20 5 EFBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001603292733 972559199 /nfs/dbraw/zinc/55/91/99/972559199.db2.gz LTKMTSWYPQVUTC-CYBMUJFWSA-N -1 0 346.261 2.693 20 5 EFBDRM CSc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001604971682 972564226 /nfs/dbraw/zinc/56/42/26/972564226.db2.gz JDYZIXMIWZDJOS-SNVBAGLBSA-N -1 0 326.374 2.546 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001604999311 972598226 /nfs/dbraw/zinc/59/82/26/972598226.db2.gz JLQRGKDRNKHEAD-ZWNOBZJWSA-N -1 0 338.385 2.541 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001605877220 972653338 /nfs/dbraw/zinc/65/33/38/972653338.db2.gz IWOKAYSEQLEXHD-WDEREUQCSA-N -1 0 329.312 2.582 20 5 EFBDRM C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001605048422 972661283 /nfs/dbraw/zinc/66/12/83/972661283.db2.gz CYSCCGIQKRSUBG-JTQLQIEISA-N -1 0 346.364 2.949 20 5 EFBDRM Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC001605091095 972734718 /nfs/dbraw/zinc/73/47/18/972734718.db2.gz BUHAYMWZEAXPJJ-DTWKUNHWSA-N -1 0 346.261 2.971 20 5 EFBDRM O=C([O-])[C@@H](Cc1ccncc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001605903019 972741830 /nfs/dbraw/zinc/74/18/30/972741830.db2.gz AYYAEZPCMMWUMI-GFCCVEGCSA-N -1 0 344.352 2.707 20 5 EFBDRM O=C([O-])[C@@]1(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC=CCC1 ZINC001605942403 972892211 /nfs/dbraw/zinc/89/22/11/972892211.db2.gz 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2.784 20 5 EFBDRM CSc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1C(=O)[O-] ZINC001607407037 1097620861 /nfs/dbraw/zinc/62/08/61/1097620861.db2.gz NEPNAMBHWBZJNT-UHFFFAOYSA-N -1 0 347.352 2.849 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001607410733 1097622793 /nfs/dbraw/zinc/62/27/93/1097622793.db2.gz LGLDBTKJLAWTGI-LBPRGKRZSA-N -1 0 340.401 2.936 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001607410791 1097622812 /nfs/dbraw/zinc/62/28/12/1097622812.db2.gz OFRRVCRFZYJZEU-LLVKDONJSA-N -1 0 340.401 2.936 20 5 EFBDRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001607421291 1097626225 /nfs/dbraw/zinc/62/62/25/1097626225.db2.gz ZGGMVOLXZIGHPK-GFCCVEGCSA-N -1 0 349.387 2.942 20 5 EFBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C(=O)[O-] ZINC001607435087 1097629139 /nfs/dbraw/zinc/62/91/39/1097629139.db2.gz QTCKUOOBFRVOST-MEBBXXQBSA-N -1 0 328.324 2.541 20 5 EFBDRM 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Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC000822191148 1425012764 /nfs/dbraw/zinc/01/27/64/1425012764.db2.gz GJUBEEZZYXFJQC-VIFPVBQESA-N -1 0 343.322 2.791 20 5 EFBDRM O=C(C[C@@H]1C=CCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403847 1425249147 /nfs/dbraw/zinc/24/91/47/1425249147.db2.gz FWQZIQPEHQTWHQ-MRVPVSSYSA-N -1 0 348.750 2.723 20 5 EFBDRM CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821456659 1425369110 /nfs/dbraw/zinc/36/91/10/1425369110.db2.gz RNZKMWYKLRHWAS-OLZOCXBDSA-N -1 0 334.405 2.861 20 5 EFBDRM CCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736452458 1425513004 /nfs/dbraw/zinc/51/30/04/1425513004.db2.gz YPKYLYOOXKTMTL-UHFFFAOYSA-N -1 0 327.348 2.925 20 5 EFBDRM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820451076 1425604493 /nfs/dbraw/zinc/60/44/93/1425604493.db2.gz SKXYJXTVZYDNLI-MRVPVSSYSA-N -1 0 325.332 2.534 20 5 EFBDRM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738361279 1425974966 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1442070954 /nfs/dbraw/zinc/07/09/54/1442070954.db2.gz YHCSJGNMDPADBE-UHFFFAOYSA-N -1 0 332.707 2.924 20 5 EFBDRM Cc1cccc(OCc2cc(F)ccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300271 1442071561 /nfs/dbraw/zinc/07/15/61/1442071561.db2.gz OAYQYHKAKSWVMC-UHFFFAOYSA-N -1 0 329.291 2.801 20 5 EFBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823620952 1442262346 /nfs/dbraw/zinc/26/23/46/1442262346.db2.gz UOBVRKLJSXQLLX-VXGBXAGGSA-N -1 0 329.364 2.551 20 5 EFBDRM CN(CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821607452 1442367856 /nfs/dbraw/zinc/36/78/56/1442367856.db2.gz PBGLRJHDIREAIH-UHFFFAOYSA-N -1 0 330.373 2.515 20 5 EFBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820461806 1442443895 /nfs/dbraw/zinc/44/38/95/1442443895.db2.gz RAHMOMJJCFLCTD-SSDOTTSWSA-N -1 0 347.285 2.621 20 5 EFBDRM CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736692853 1443067762 /nfs/dbraw/zinc/06/77/62/1443067762.db2.gz ZKOCKTMMYNBDPV-UHFFFAOYSA-N -1 0 339.311 2.557 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826264035 1443370957 /nfs/dbraw/zinc/37/09/57/1443370957.db2.gz ZXUCCHWQNYNODV-NSHDSACASA-N -1 0 339.359 2.960 20 5 EFBDRM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccco1 ZINC000826155281 1443410647 /nfs/dbraw/zinc/41/06/47/1443410647.db2.gz LHYZLEURTQUPQU-GFCCVEGCSA-N -1 0 344.331 2.558 20 5 EFBDRM Cc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822238575 1443448644 /nfs/dbraw/zinc/44/86/44/1443448644.db2.gz MNUAEIOALBXYON-UHFFFAOYSA-N -1 0 342.334 2.512 20 5 EFBDRM COc1cc(-c2nn[n-]n2)ccc1CNc1cc([N+](=O)[O-])ccc1F ZINC000826170972 1443617399 /nfs/dbraw/zinc/61/73/99/1443617399.db2.gz XEVFCBFYQNIMOT-UHFFFAOYSA-N -1 0 344.306 2.535 20 5 EFBDRM CC(C)(C)C1=CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824072480 1443671430 /nfs/dbraw/zinc/67/14/30/1443671430.db2.gz VZUCKVMGRMYFFH-UHFFFAOYSA-N -1 0 328.376 2.958 20 5 EFBDRM Cc1ccc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737321700 1443924371 /nfs/dbraw/zinc/92/43/71/1443924371.db2.gz VIVNWIKALKXBEI-NSHDSACASA-N -1 0 339.359 2.694 20 5 EFBDRM CCC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736422504 1446486357 /nfs/dbraw/zinc/48/63/57/1446486357.db2.gz IMXDYPAHEPNRLV-VIFPVBQESA-N -1 0 327.348 2.924 20 5 EFBDRM COc1ccc(-c2nn[n-]n2)cc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000821749508 1446569646 /nfs/dbraw/zinc/56/96/46/1446569646.db2.gz PQUWTMWFRLZQCL-UHFFFAOYSA-N -1 0 345.290 2.502 20 5 EFBDRM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820633395 1446853534 /nfs/dbraw/zinc/85/35/34/1446853534.db2.gz AYWSTQZWMRGNHY-WBVHZDCISA-N -1 0 336.355 2.917 20 5 EFBDRM COc1cc(COc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826179994 1447059757 /nfs/dbraw/zinc/05/97/57/1447059757.db2.gz ODJRFAYIIVLYPT-UHFFFAOYSA-N -1 0 345.290 2.502 20 5 EFBDRM O=[N+]([O-])c1ccc(N2CCS[C@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000823639917 1447135661 /nfs/dbraw/zinc/13/56/61/1447135661.db2.gz LXFLJASRCFWMLM-KBPBESRZSA-N -1 0 346.416 2.639 20 5 EFBDRM CCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825234255 1449121352 /nfs/dbraw/zinc/12/13/52/1449121352.db2.gz XXFPTXABAKUDGG-ZETCQYMHSA-N -1 0 338.755 2.803 20 5 EFBDRM COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000821821532 1449453801 /nfs/dbraw/zinc/45/38/01/1449453801.db2.gz JSYXKERDEIOKHS-UHFFFAOYSA-N -1 0 340.343 2.704 20 5 EFBDRM Cc1nc(Sc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000822452884 1449704693 /nfs/dbraw/zinc/70/46/93/1449704693.db2.gz BVDXTCCLOKHRSG-UHFFFAOYSA-N -1 0 332.320 2.769 20 5 EFBDRM Cc1ccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822228630 1449745308 /nfs/dbraw/zinc/74/53/08/1449745308.db2.gz AVDCLLJQEAZNFC-LLVKDONJSA-N -1 0 339.359 2.960 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826212503 1449822045 /nfs/dbraw/zinc/82/20/45/1449822045.db2.gz SVSZJEXBWSJXIJ-UHFFFAOYSA-N -1 0 344.306 2.535 20 5 EFBDRM 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ZINC001588944546 984649366 /nfs/dbraw/zinc/64/93/66/984649366.db2.gz ZDLNVMPAYXVDGY-NTMALXAHSA-N -1 0 327.296 2.730 20 5 EFBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001599888099 984661434 /nfs/dbraw/zinc/66/14/34/984661434.db2.gz AHQADXCZOBGQFO-GFCCVEGCSA-N -1 0 328.324 2.710 20 5 EFBDRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1[N+](=O)[O-] ZINC001599893367 984722833 /nfs/dbraw/zinc/72/28/33/984722833.db2.gz SAQQMIVGVKKDJB-OSSATUEASA-N -1 0 332.356 2.807 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001599894673 984738208 /nfs/dbraw/zinc/73/82/08/984738208.db2.gz UMYRTVCQCQIKBF-STQMWFEESA-N -1 0 349.387 2.942 20 5 EFBDRM C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC001599894760 984738877 /nfs/dbraw/zinc/73/88/77/984738877.db2.gz ZEPZRTUWCRQEEZ-WCQYABFASA-N -1 0 347.371 2.552 20 5 EFBDRM C/C(=C/CNc1ncc([N+](=O)[O-])c(C)c1Br)C(=O)[O-] ZINC001588986147 984890134 /nfs/dbraw/zinc/89/01/34/984890134.db2.gz 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326.312 2.824 20 5 EFBDRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC001602351766 1096198083 /nfs/dbraw/zinc/19/80/83/1096198083.db2.gz JVMXUQWLWRQLAT-QWHCGFSZSA-N -1 0 331.280 2.733 20 5 EFBDRM O=C([O-])c1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC001602352283 1096199333 /nfs/dbraw/zinc/19/93/33/1096199333.db2.gz KAGMZVGCTHZJBU-UHFFFAOYSA-N -1 0 325.273 2.851 20 5 EFBDRM O=C([O-])c1ccc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1 ZINC001602352606 1096199491 /nfs/dbraw/zinc/19/94/91/1096199491.db2.gz PPZHDPIRMOXBEQ-UHFFFAOYSA-N -1 0 341.279 2.526 20 5 EFBDRM O=C([O-])c1ccc(F)c(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC001602364870 1096207826 /nfs/dbraw/zinc/20/78/26/1096207826.db2.gz SCHLJQJKZQTLTC-UHFFFAOYSA-N -1 0 342.286 2.739 20 5 EFBDRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001602370596 1096210195 /nfs/dbraw/zinc/21/01/95/1096210195.db2.gz YHOIOOCINCEBBF-UHFFFAOYSA-N -1 0 345.311 2.739 20 5 EFBDRM 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344.302 2.963 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H](O)c2cc(F)ccc2F)c1 ZINC001602407451 1096226881 /nfs/dbraw/zinc/22/68/81/1096226881.db2.gz HBBDZNMQBTYSGF-CYBMUJFWSA-N -1 0 339.250 2.684 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2cccc(-n3ccnn3)c2)c1 ZINC001602409495 1096227741 /nfs/dbraw/zinc/22/77/41/1096227741.db2.gz ZUUXSHMPCJYLQQ-UHFFFAOYSA-N -1 0 326.268 2.666 20 5 EFBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001602420625 1096233886 /nfs/dbraw/zinc/23/38/86/1096233886.db2.gz OJRSKTZWMWKXNA-UHFFFAOYSA-N -1 0 345.286 2.980 20 5 EFBDRM O=C([O-])c1ccc2c(c1)N(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC001602424234 1096237673 /nfs/dbraw/zinc/23/76/73/1096237673.db2.gz SPUBFNTZSMYXKX-UHFFFAOYSA-N -1 0 340.335 2.815 20 5 EFBDRM O=C([O-])c1ccc2c(c1)OCCN(c1ccc([N+](=O)[O-])cc1F)C2 ZINC001602425530 1096237849 /nfs/dbraw/zinc/23/78/49/1096237849.db2.gz BJKLENOBLVQOHC-UHFFFAOYSA-N -1 0 332.287 2.831 20 5 EFBDRM 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BXSRAFQAEOULMD-KUGGDMIFSA-N -1 0 332.356 2.854 20 5 EFBDRM C/C(=C\c1ccco1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001602986144 1096416428 /nfs/dbraw/zinc/41/64/28/1096416428.db2.gz VRMYICNIZDIIIB-KAMXEHQASA-N -1 0 344.323 2.707 20 5 EFBDRM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603062385 1096427810 /nfs/dbraw/zinc/42/78/10/1096427810.db2.gz IKYUCGQLTFIGCW-FZMZJTMJSA-N -1 0 346.391 2.781 20 5 EFBDRM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603062804 1096428664 /nfs/dbraw/zinc/42/86/64/1096428664.db2.gz SDSRITZJHCWEGR-GWCFXTLKSA-N -1 0 346.391 2.781 20 5 EFBDRM CC(=O)c1cccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001603118458 1096449952 /nfs/dbraw/zinc/44/99/52/1096449952.db2.gz OESCTRVQZZPIKK-UHFFFAOYSA-N -1 0 343.291 2.853 20 5 EFBDRM C[C@@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC001603137982 1096456512 /nfs/dbraw/zinc/45/65/12/1096456512.db2.gz FSJYDRYOKMRZPR-MRVPVSSYSA-N -1 0 335.341 2.516 20 5 EFBDRM C[C@H](C(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603146923 1096458394 /nfs/dbraw/zinc/45/83/94/1096458394.db2.gz ZPROUDVSZVJVJI-HZMBPMFUSA-N -1 0 338.335 2.693 20 5 EFBDRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603154026 1096461782 /nfs/dbraw/zinc/46/17/82/1096461782.db2.gz WDYLCMTUROZVDZ-XXFAHNHDSA-N -1 0 338.335 2.597 20 5 EFBDRM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603173619 1096464685 /nfs/dbraw/zinc/46/46/85/1096464685.db2.gz ABOAGLYJOWLQLB-BHYNMZESSA-N -1 0 338.335 2.597 20 5 EFBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC001603212561 1096475027 /nfs/dbraw/zinc/47/50/27/1096475027.db2.gz FTEPLRGJFPOLOI-QMMMGPOBSA-N -1 0 347.302 2.757 20 5 EFBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001603218490 1096476439 /nfs/dbraw/zinc/47/64/39/1096476439.db2.gz TXQGGAPFQKVEEB-VIFPVBQESA-N -1 0 329.312 2.617 20 5 EFBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001603218516 1096476916 /nfs/dbraw/zinc/47/69/16/1096476916.db2.gz UQEZODAWBKTIJK-VIFPVBQESA-N -1 0 329.312 2.617 20 5 EFBDRM C[C@@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001603225775 1096477728 /nfs/dbraw/zinc/47/77/28/1096477728.db2.gz CYKDGJHAHQDKEL-LLVKDONJSA-N -1 0 329.308 2.931 20 5 EFBDRM C[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603226457 1096477975 /nfs/dbraw/zinc/47/79/75/1096477975.db2.gz OMSZZEXLTYJVLH-MRVPVSSYSA-N -1 0 337.259 2.872 20 5 EFBDRM C[C@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001603225778 1096478060 /nfs/dbraw/zinc/47/80/60/1096478060.db2.gz CYKDGJHAHQDKEL-NSHDSACASA-N -1 0 329.308 2.931 20 5 EFBDRM CC(C)(C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001603239835 1096482518 /nfs/dbraw/zinc/48/25/18/1096482518.db2.gz LGGGUBOVNOWOPW-UHFFFAOYSA-N -1 0 347.302 2.743 20 5 EFBDRM CC(C)C[C@H]1C[C@@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 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333.275 2.575 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3cccnc3)C2)n1 ZINC001607588967 1097667868 /nfs/dbraw/zinc/66/78/68/1097667868.db2.gz JHHODGQGCSLSEQ-CYBMUJFWSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CCO)c2ccccc2F)n1 ZINC001607589027 1097667924 /nfs/dbraw/zinc/66/79/24/1097667924.db2.gz KYLHLKRCMKOCMT-CYBMUJFWSA-N -1 0 349.318 2.671 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCc3cccnc32)n1 ZINC001607587600 1097668065 /nfs/dbraw/zinc/66/80/65/1097668065.db2.gz MCZIJOBSEDUQPI-LBPRGKRZSA-N -1 0 328.328 2.881 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC001607589169 1097668988 /nfs/dbraw/zinc/66/89/88/1097668988.db2.gz PGJRXXWDYNTHEF-ZLKJLUDKSA-N -1 0 347.371 2.756 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2(C)Cc3ccccc3C2)n1 ZINC001607589124 1097669136 /nfs/dbraw/zinc/66/91/36/1097669136.db2.gz NPEKLWRERYTWEJ-UHFFFAOYSA-N -1 0 327.340 2.966 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001607656050 1097691318 /nfs/dbraw/zinc/69/13/18/1097691318.db2.gz PSHAOXRKFFXHLG-NXEZZACHSA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001607655612 1097691358 /nfs/dbraw/zinc/69/13/58/1097691358.db2.gz DOLGBIVSLXUUBG-UHFFFAOYSA-N -1 0 326.736 2.684 20 5 EFBDRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001607675666 1097695266 /nfs/dbraw/zinc/69/52/66/1097695266.db2.gz FRBKFVRMMGWYBP-UHFFFAOYSA-N -1 0 345.355 2.703 20 5 EFBDRM Cc1cc(N2CCC[C@@H](n3ccnc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669525 1097695468 /nfs/dbraw/zinc/69/54/68/1097695468.db2.gz LNCPYAHAARTFCF-GFCCVEGCSA-N -1 0 330.344 2.639 20 5 EFBDRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ncc1C(=O)[O-] ZINC001607678726 1097696271 /nfs/dbraw/zinc/69/62/71/1097696271.db2.gz YFSNLRNYJIOLNP-OLZOCXBDSA-N -1 0 341.323 2.739 20 5 EFBDRM Cc1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])sc1C(=O)[O-] 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EFBDRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)n1 ZINC001607769460 1097727152 /nfs/dbraw/zinc/72/71/52/1097727152.db2.gz VDUNAKPXVJDMMT-UHFFFAOYSA-N -1 0 349.730 2.831 20 5 EFBDRM Cc1ccc(C[C@H](Sc2cc[nH]c(=O)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001607775715 1097728339 /nfs/dbraw/zinc/72/83/39/1097728339.db2.gz LVJUNIXTEVMKSV-LBPRGKRZSA-N -1 0 334.353 2.792 20 5 EFBDRM Cc1ccc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1C(=O)[O-] ZINC001607787968 1097732779 /nfs/dbraw/zinc/73/27/79/1097732779.db2.gz BCDQTXFOSMDKIR-UHFFFAOYSA-N -1 0 328.280 2.558 20 5 EFBDRM Cc1ccc(NCCCNc2cccc(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC001607809015 1097740023 /nfs/dbraw/zinc/74/00/23/1097740023.db2.gz MUHSZNGQDFMRHG-UHFFFAOYSA-N -1 0 330.344 2.911 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])c1 ZINC001607824733 1097743663 /nfs/dbraw/zinc/74/36/63/1097743663.db2.gz CUYCWRLDQNVTRN-INIZCTEOSA-N -1 0 340.335 2.868 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001607824618 1097743961 /nfs/dbraw/zinc/74/39/61/1097743961.db2.gz AXXGLNIHVYVMGK-AWEZNQCLSA-N -1 0 342.351 2.637 20 5 EFBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC001607843058 1097750608 /nfs/dbraw/zinc/75/06/08/1097750608.db2.gz UGUAAIMPBAMMAA-OAHLLOKOSA-N -1 0 343.339 2.552 20 5 EFBDRM Cc1cccc(C[C@H](CNc2ncc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001607850557 1097754565 /nfs/dbraw/zinc/75/45/65/1097754565.db2.gz SOOVXNIIUWVFRS-GFCCVEGCSA-N -1 0 333.319 2.793 20 5 EFBDRM Cc1csc([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607927745 1097779380 /nfs/dbraw/zinc/77/93/80/1097779380.db2.gz NCPAFAAIJYJWDU-MRVPVSSYSA-N -1 0 335.341 2.800 20 5 EFBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc1C(=O)[O-] ZINC001607966882 1097791742 /nfs/dbraw/zinc/79/17/42/1097791742.db2.gz WURJANXXQMHYHI-UHFFFAOYSA-N -1 0 341.732 2.964 20 5 EFBDRM Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607983498 1097796517 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335.341 2.806 20 5 EFBDRM Cn1c(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC001608088645 1097832057 /nfs/dbraw/zinc/83/20/57/1097832057.db2.gz ZISRIQXYUBYXNR-UHFFFAOYSA-N -1 0 344.302 2.931 20 5 EFBDRM Cn1cc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1C(=O)[O-] ZINC001608119811 1097840352 /nfs/dbraw/zinc/84/03/52/1097840352.db2.gz JINAWEUDKCDDCB-UHFFFAOYSA-N -1 0 330.222 2.789 20 5 EFBDRM Cn1cccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608129347 1097842134 /nfs/dbraw/zinc/84/21/34/1097842134.db2.gz LKMOOEQUQLNIHP-MRXNPFEDSA-N -1 0 329.356 2.969 20 5 EFBDRM Cn1cnc([N+](=O)[O-])c1N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001608135296 1097842957 /nfs/dbraw/zinc/84/29/57/1097842957.db2.gz MMLIGHZIQIGKKZ-OCCSQVGLSA-N -1 0 344.371 2.704 20 5 EFBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1ccc(C(=O)[O-])cc1 ZINC001608146208 1097845508 /nfs/dbraw/zinc/84/55/08/1097845508.db2.gz OCBBMYHZIBDGEN-UHFFFAOYSA-N -1 0 331.206 2.838 20 5 EFBDRM Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001608273497 1097877946 /nfs/dbraw/zinc/87/79/46/1097877946.db2.gz OUHMDBFVRUEFDI-UHFFFAOYSA-N -1 0 326.268 2.592 20 5 EFBDRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc(Cl)nc2)cc([N+](=O)[O-])c1 ZINC001608284648 1097881164 /nfs/dbraw/zinc/88/11/64/1097881164.db2.gz PAINKQGKHNFNEK-RQOWECAXSA-N -1 0 347.714 2.993 20 5 EFBDRM O=C([O-])[C@H]1CCCC[C@H]1OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001608300927 1097888254 /nfs/dbraw/zinc/88/82/54/1097888254.db2.gz PFNBCHSSXZPFKR-DZGCQCFKSA-N -1 0 349.339 2.744 20 5 EFBDRM O=C([O-])[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001608318100 1097892838 /nfs/dbraw/zinc/89/28/38/1097892838.db2.gz RCSMPRLXYXZJCB-CQSZACIVSA-N -1 0 335.337 2.958 20 5 EFBDRM O=C([O-])c1ccccc1OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001608356795 1097901139 /nfs/dbraw/zinc/90/11/39/1097901139.db2.gz UAHMMJXPVGTDFC-UHFFFAOYSA-N -1 0 340.291 2.922 20 5 EFBDRM O=C([O-])c1occc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001608355055 1097901156 /nfs/dbraw/zinc/90/11/56/1097901156.db2.gz 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0 349.387 2.600 20 5 EFBDRM CNc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000611478656 479389985 /nfs/dbraw/zinc/38/99/85/479389985.db2.gz QTNBWRPEPWELLF-LBPRGKRZSA-N -1 0 349.387 2.600 20 5 EFBDRM Cc1cnn([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)c1 ZINC000575048954 479394579 /nfs/dbraw/zinc/39/45/79/479394579.db2.gz JBHXTZBQSASEPS-LBPRGKRZSA-N -1 0 330.344 2.558 20 5 EFBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1 ZINC000603556471 479404445 /nfs/dbraw/zinc/40/44/45/479404445.db2.gz ZJYCRAPINQBUEE-UHFFFAOYSA-N -1 0 325.371 2.730 20 5 EFBDRM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534889 479407589 /nfs/dbraw/zinc/40/75/89/479407589.db2.gz HCBGPMMWKILGFD-UHFFFAOYSA-N -1 0 346.730 2.760 20 5 EFBDRM O=C(N[C@@H]1COc2c1cccc2Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535516 479407695 /nfs/dbraw/zinc/40/76/95/479407695.db2.gz BKYRFZCMQWPWCL-GFCCVEGCSA-N -1 0 334.715 2.817 20 5 EFBDRM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535050 479407948 /nfs/dbraw/zinc/40/79/48/479407948.db2.gz IWCOUHFTFLCSNK-CQSZACIVSA-N -1 0 344.323 2.563 20 5 EFBDRM CC[C@H](NC(=O)N[C@H](CC(C)C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000611558670 479414577 /nfs/dbraw/zinc/41/45/77/479414577.db2.gz LNEVJUGLGZTLRU-UONOGXRCSA-N -1 0 337.376 2.844 20 5 EFBDRM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556955 479414855 /nfs/dbraw/zinc/41/48/55/479414855.db2.gz JQFILQYUACXETF-HNNXBMFYSA-N -1 0 344.323 2.563 20 5 EFBDRM COc1ccccc1OCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555941 479414907 /nfs/dbraw/zinc/41/49/07/479414907.db2.gz PZEWVCRDZIIYRZ-UHFFFAOYSA-N -1 0 346.339 2.508 20 5 EFBDRM CCC[C@](C)(NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000611558642 479415043 /nfs/dbraw/zinc/41/50/43/479415043.db2.gz JUFUNEPWPYPZTP-BZNIZROVSA-N -1 0 337.376 2.907 20 5 EFBDRM CC(C)(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000593697733 479427655 /nfs/dbraw/zinc/42/76/55/479427655.db2.gz 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COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000611719557 479457817 /nfs/dbraw/zinc/45/78/17/479457817.db2.gz NTQHUUKCASMFLP-CYBMUJFWSA-N -1 0 344.323 2.800 20 5 EFBDRM CCn1cc(CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)C)cn1 ZINC000593834165 479478598 /nfs/dbraw/zinc/47/85/98/479478598.db2.gz FURXYRATKDIUPS-UHFFFAOYSA-N -1 0 332.360 2.568 20 5 EFBDRM Cc1cc(N2CCSC[C@H](C(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575872802 479493213 /nfs/dbraw/zinc/49/32/13/479493213.db2.gz ZPSGZYPVRPAVPC-LLVKDONJSA-N -1 0 347.396 2.705 20 5 EFBDRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593923674 479509376 /nfs/dbraw/zinc/50/93/76/479509376.db2.gz VZKLGTQSIBAXLG-UHFFFAOYSA-N -1 0 346.261 2.550 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)OC3(CCCCC3)C2)n1 ZINC000593947048 479515871 /nfs/dbraw/zinc/51/58/71/479515871.db2.gz DNAGVSMFKZXYRT-LBPRGKRZSA-N -1 0 349.387 2.924 20 5 EFBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000593948022 479516754 /nfs/dbraw/zinc/51/67/54/479516754.db2.gz RPNPKTRLDLQISU-NSHDSACASA-N -1 0 335.360 2.616 20 5 EFBDRM C[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000576082137 479533884 /nfs/dbraw/zinc/53/38/84/479533884.db2.gz AMGHSTHNCRZXAT-QMMMGPOBSA-N -1 0 333.373 2.628 20 5 EFBDRM C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000576111210 479542721 /nfs/dbraw/zinc/54/27/21/479542721.db2.gz PEXGFTQMLHOFLE-JMCQJSRRSA-N -1 0 333.266 2.556 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)CCC(C)(C)C)n1 ZINC000576111117 479543145 /nfs/dbraw/zinc/54/31/45/479543145.db2.gz KUPXKFHMFAMMKJ-JTQLQIEISA-N -1 0 325.365 2.596 20 5 EFBDRM Cc1cn2c(nc(C)c2CNC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000590403437 479640473 /nfs/dbraw/zinc/64/04/73/479640473.db2.gz RSARESKAMPPUFC-UHFFFAOYSA-N -1 0 346.368 2.556 20 5 EFBDRM COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000612342927 479649484 /nfs/dbraw/zinc/64/94/84/479649484.db2.gz 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C[C@@H](CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nccs1 ZINC000191616804 533725585 /nfs/dbraw/zinc/72/55/85/533725585.db2.gz OESOOJLHLXPTIE-VIFPVBQESA-N -1 0 349.368 2.625 20 5 EFBDRM O=C([O-])CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000391557370 518201366 /nfs/dbraw/zinc/20/13/66/518201366.db2.gz UXTXLMKRSWMDPM-UHFFFAOYSA-N -1 0 333.266 2.700 20 5 EFBDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000120175125 518409250 /nfs/dbraw/zinc/40/92/50/518409250.db2.gz WUULETKVTURUCZ-UHFFFAOYSA-N -1 0 334.353 2.907 20 5 EFBDRM CC(C)(C)CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263078675 518659229 /nfs/dbraw/zinc/65/92/29/518659229.db2.gz GQZOPANJRMSAOX-AWEZNQCLSA-N -1 0 336.388 2.923 20 5 EFBDRM CC(C)(C)CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263078676 518659398 /nfs/dbraw/zinc/65/93/98/518659398.db2.gz GQZOPANJRMSAOX-CQSZACIVSA-N -1 0 336.388 2.923 20 5 EFBDRM O=C(NCCOc1ccc(Cl)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164021183 534382356 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ZINC001574556837 961991651 /nfs/dbraw/zinc/99/16/51/961991651.db2.gz HKJICHFUAQRNKO-GXTWGEPZSA-N -1 0 344.298 2.777 20 5 EFBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC001574557333 961998370 /nfs/dbraw/zinc/99/83/70/961998370.db2.gz JFONAJUMGZQFCQ-SWLSCSKDSA-N -1 0 344.298 2.777 20 5 EFBDRM CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC001588935037 962485678 /nfs/dbraw/zinc/48/56/78/962485678.db2.gz BXOWYUUKYDPTIQ-UHFFFAOYSA-N -1 0 345.311 2.728 20 5 EFBDRM O=C([O-])CN(CC1CC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001574711058 962714734 /nfs/dbraw/zinc/71/47/34/962714734.db2.gz ODBRAPCXUSEKQT-UHFFFAOYSA-N -1 0 340.763 2.504 20 5 EFBDRM O=C([O-])c1cnoc1COc1cc([N+](=O)[O-])ccc1Br ZINC000312460402 963564560 /nfs/dbraw/zinc/56/45/60/963564560.db2.gz PQXGIUWCOJMPKJ-UHFFFAOYSA-N -1 0 343.089 2.623 20 5 EFBDRM O=C([O-])C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000697669224 968966288 /nfs/dbraw/zinc/96/62/88/968966288.db2.gz FTNDLZCUEYZVEQ-UHFFFAOYSA-N -1 0 329.150 2.658 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000864124400 969319401 /nfs/dbraw/zinc/31/94/01/969319401.db2.gz OXIJSALYMXMVIE-QGZVFWFLSA-N -1 0 328.324 2.685 20 5 EFBDRM O=C([O-])CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC000902045986 969511300 /nfs/dbraw/zinc/51/13/00/969511300.db2.gz ZDQIMJUOYWUJDJ-UHFFFAOYSA-N -1 0 349.206 2.858 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001610132537 970679024 /nfs/dbraw/zinc/67/90/24/970679024.db2.gz AGLSYLOGEGBPPN-GJZGRUSLSA-N -1 0 348.399 2.877 20 5 EFBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001605831290 972565370 /nfs/dbraw/zinc/56/53/70/972565370.db2.gz CKMCKPGKYUFXEB-MNOVXSKESA-N -1 0 346.261 2.597 20 5 EFBDRM Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001605077293 972711724 /nfs/dbraw/zinc/71/17/24/972711724.db2.gz VWBJRVCENPHMFN-CABCVRRESA-N -1 0 340.335 2.946 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001605170460 972867121 /nfs/dbraw/zinc/86/71/21/972867121.db2.gz AYRAMRFTRTYWJA-ISVAXAHUSA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001605171358 972873841 /nfs/dbraw/zinc/87/38/41/972873841.db2.gz XPFPHVLLWZIHTE-UWVGGRQHSA-N -1 0 340.763 2.882 20 5 EFBDRM O=C([O-])C1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCC1 ZINC001605963588 972939758 /nfs/dbraw/zinc/93/97/58/972939758.db2.gz FWGPMXKGOYZFAS-UHFFFAOYSA-N -1 0 342.311 2.556 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC001605224264 972973849 /nfs/dbraw/zinc/97/38/49/972973849.db2.gz ARQUYAZEHSVWQQ-SNVBAGLBSA-N -1 0 340.763 2.884 20 5 EFBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1(C(=O)[O-])CCC1 ZINC001604382436 973100517 /nfs/dbraw/zinc/10/05/17/973100517.db2.gz MANRRMAEMZFFRS-UHFFFAOYSA-N -1 0 342.735 2.702 20 5 EFBDRM Cc1cccc([C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001605328168 973179130 /nfs/dbraw/zinc/17/91/30/973179130.db2.gz LJLBQUYMHHYRJK-LRDDRELGSA-N -1 0 342.351 2.949 20 5 EFBDRM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001603433966 973195633 /nfs/dbraw/zinc/19/56/33/973195633.db2.gz KPCJWWZIKVHMQQ-APPZFPTMSA-N -1 0 333.266 2.556 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001606118867 973360115 /nfs/dbraw/zinc/36/01/15/973360115.db2.gz VJHYKXACQFLJSH-LBPRGKRZSA-N -1 0 345.355 2.936 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])C1CCC1 ZINC001603574728 973713924 /nfs/dbraw/zinc/71/39/24/973713924.db2.gz BCCRFCIMLLFVEI-ZDUSSCGKSA-N -1 0 334.372 2.629 20 5 EFBDRM O=C([O-])Cn1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC001606340944 973777043 /nfs/dbraw/zinc/77/70/43/973777043.db2.gz JRFPVLLYDFGLTI-UHFFFAOYSA-N -1 0 330.222 2.638 20 5 EFBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001603600562 973841270 /nfs/dbraw/zinc/84/12/70/973841270.db2.gz ABRAMALQTODWQF-KRWDZBQOSA-N -1 0 345.355 2.793 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001606432852 973876635 /nfs/dbraw/zinc/87/66/35/973876635.db2.gz ODQJVVAHUVHKTI-QWHCGFSZSA-N -1 0 345.330 2.829 20 5 EFBDRM COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001604739342 973950763 /nfs/dbraw/zinc/95/07/63/973950763.db2.gz SYZPRDGETWBNJV-UHFFFAOYSA-N -1 0 331.280 2.659 20 5 EFBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)cc1 ZINC001606495876 973982519 /nfs/dbraw/zinc/98/25/19/973982519.db2.gz LTYQPDPWAGJLIM-UHFFFAOYSA-N -1 0 342.286 2.739 20 5 EFBDRM CC(C)OC(=O)[C@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591679245 975470335 /nfs/dbraw/zinc/47/03/35/975470335.db2.gz WPDZJVHLIAHMBU-MRVPVSSYSA-N -1 0 344.751 2.946 20 5 EFBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001591921066 976392478 /nfs/dbraw/zinc/39/24/78/976392478.db2.gz PYJSBYVNBXKQOC-SECBINFHSA-N -1 0 346.343 2.882 20 5 EFBDRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001591942443 976469652 /nfs/dbraw/zinc/46/96/52/976469652.db2.gz PXQTUFKUVMFABY-HNNXBMFYSA-N -1 0 343.339 2.669 20 5 EFBDRM O=C([O-])[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000697668680 976858000 /nfs/dbraw/zinc/85/80/00/976858000.db2.gz CNGROKZOPYXQJW-QMMMGPOBSA-N -1 0 329.150 2.658 20 5 EFBDRM O=C([O-])c1nccc(Oc2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000703824005 977206151 /nfs/dbraw/zinc/20/61/51/977206151.db2.gz IWEUAGBABQDTGU-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC001592309042 977677058 /nfs/dbraw/zinc/67/70/58/977677058.db2.gz MUIBWLGFNXEEKT-AWEZNQCLSA-N -1 0 326.736 2.621 20 5 EFBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001592367296 977871378 /nfs/dbraw/zinc/87/13/78/977871378.db2.gz MDFCLHUYQQRTEQ-WRWORJQWSA-N -1 0 335.234 2.852 20 5 EFBDRM C[C@H](CC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC001592424428 978045161 /nfs/dbraw/zinc/04/51/61/978045161.db2.gz RMDURJZWGRQUJV-MRVPVSSYSA-N -1 0 332.316 2.581 20 5 EFBDRM CCOc1cc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OC ZINC000737881735 978453112 /nfs/dbraw/zinc/45/31/12/978453112.db2.gz LWTJQCROWWAXEW-UHFFFAOYSA-N -1 0 333.300 2.839 20 5 EFBDRM Cc1ccc2c(c1C)OC[C@@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738297032 978513913 /nfs/dbraw/zinc/51/39/13/978513913.db2.gz FPUMXOLZZDUGOI-LBPRGKRZSA-N -1 0 329.312 2.850 20 5 EFBDRM C[C@@H](CN(Cc1ccccc1)C(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-] ZINC001592601657 978537103 /nfs/dbraw/zinc/53/71/03/978537103.db2.gz CRDFRLSNPYNMEE-ZDUSSCGKSA-N -1 0 336.388 2.571 20 5 EFBDRM O=C([O-])c1ccnc(NCCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000738693960 978590861 /nfs/dbraw/zinc/59/08/61/978590861.db2.gz SMRBIYFRGZTAMY-UHFFFAOYSA-N -1 0 337.719 2.832 20 5 EFBDRM C[C@@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001592640708 978621030 /nfs/dbraw/zinc/62/10/30/978621030.db2.gz NSVXCYYMKNYZTC-LBPRGKRZSA-N -1 0 346.383 2.850 20 5 EFBDRM C[C@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001592640707 978621077 /nfs/dbraw/zinc/62/10/77/978621077.db2.gz NSVXCYYMKNYZTC-GFCCVEGCSA-N -1 0 346.383 2.850 20 5 EFBDRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1[N+](=O)[O-] ZINC001592674789 979086646 /nfs/dbraw/zinc/08/66/46/979086646.db2.gz MHOXQWDIDUQQLN-JTQLQIEISA-N -1 0 344.327 2.613 20 5 EFBDRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1[N+](=O)[O-] ZINC001592674869 979086694 /nfs/dbraw/zinc/08/66/94/979086694.db2.gz NWWMJABHXBFJOK-JTQLQIEISA-N -1 0 346.343 2.557 20 5 EFBDRM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001595026288 979134700 /nfs/dbraw/zinc/13/47/00/979134700.db2.gz GPWMBDHNBOTBAO-SECBINFHSA-N -1 0 347.327 2.988 20 5 EFBDRM C[C@@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001592697396 979153675 /nfs/dbraw/zinc/15/36/75/979153675.db2.gz UJTGYMKUSPIYIN-DVBBHNHCSA-N -1 0 344.323 2.819 20 5 EFBDRM Cc1cc(NC2CCC3(CC2)OCCO3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844206286 979352368 /nfs/dbraw/zinc/35/23/68/979352368.db2.gz BJDROQAMAYHGAG-UHFFFAOYSA-N -1 0 336.344 2.699 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2COc3ccccc3C2)n1 ZINC000844206509 979352684 /nfs/dbraw/zinc/35/26/84/979352684.db2.gz FDCHCWPOZRXARW-LLVKDONJSA-N -1 0 343.339 2.660 20 5 EFBDRM O=C([O-])/C=C\c1ccc(NC2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000844206275 979352913 /nfs/dbraw/zinc/35/29/13/979352913.db2.gz AIRPRLPJSJJYCL-RQOWECAXSA-N -1 0 348.355 2.790 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000844207975 979357782 /nfs/dbraw/zinc/35/77/82/979357782.db2.gz KNWWTTSOONDMLP-CQSZACIVSA-N -1 0 327.340 2.958 20 5 EFBDRM Cc1nc2c(s1)[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC000844209766 979361591 /nfs/dbraw/zinc/36/15/91/979361591.db2.gz NGLPEQCHFXJMLL-JTQLQIEISA-N -1 0 334.357 2.942 20 5 EFBDRM Cc1nc2c(s1)[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000844210067 979362648 /nfs/dbraw/zinc/36/26/48/979362648.db2.gz QCWPEYORHJYIDP-SNVBAGLBSA-N -1 0 334.357 2.942 20 5 EFBDRM O=C([O-])/C=C/c1ccc(NC[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000844210798 979364804 /nfs/dbraw/zinc/36/48/04/979364804.db2.gz IRFACFUYICOKMY-BPJJOFIESA-N -1 0 348.355 2.790 20 5 EFBDRM C[C@](COC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592764352 979366053 /nfs/dbraw/zinc/36/60/53/979366053.db2.gz JIZMAVNYISFDAG-GOSISDBHSA-N -1 0 343.335 2.723 20 5 EFBDRM CC(C)[C@@H](O)C1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213000 979370720 /nfs/dbraw/zinc/37/07/20/979370720.db2.gz DYPOHRJHROOCAA-MQDFFIGUSA-N -1 0 334.372 2.902 20 5 EFBDRM CC(C)[C@H](O)C1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213001 979370792 /nfs/dbraw/zinc/37/07/92/979370792.db2.gz DYPOHRJHROOCAA-NBUZRDOWSA-N -1 0 334.372 2.902 20 5 EFBDRM Cc1cc(NCc2ccc([C@H](C)O)c(C)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844213547 979372913 /nfs/dbraw/zinc/37/29/13/979372913.db2.gz IYAAVOPLYASXPS-NSHDSACASA-N -1 0 345.355 2.970 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC(OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000844215607 979376986 /nfs/dbraw/zinc/37/69/86/979376986.db2.gz SCTGFLSQXSISOF-UHFFFAOYSA-N -1 0 334.372 2.760 20 5 EFBDRM Cc1cc(N[C@@H]2CCCc3nn(C)cc32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844218337 979382160 /nfs/dbraw/zinc/38/21/60/979382160.db2.gz PJIQNJBLALIPCP-GFCCVEGCSA-N -1 0 330.344 2.824 20 5 EFBDRM CCC(CC)(NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001595091009 979384728 /nfs/dbraw/zinc/38/47/28/979384728.db2.gz WAUVVGMXJMQKLN-UHFFFAOYSA-N -1 0 342.779 2.940 20 5 EFBDRM CCC(CC)(NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595092815 979385912 /nfs/dbraw/zinc/38/59/12/979385912.db2.gz GSSRCPTYMYKBPN-VIFPVBQESA-N -1 0 326.324 2.597 20 5 EFBDRM O=C([O-])/C=C\c1ccc(NCCO[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000849348151 979499095 /nfs/dbraw/zinc/49/90/95/979499095.db2.gz KJOWGERAJSBLPK-QQHVMHFCSA-N -1 0 328.271 2.529 20 5 EFBDRM CC(C)CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000864114590 979706852 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/nfs/dbraw/zinc/38/35/20/999383520.db2.gz JQIYZSIWXGSKSR-DGCLKSJQSA-N -1 0 349.387 2.647 20 5 EFBDRM C[C@@H]1CCCC[C@H]1CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001594366145 999383834 /nfs/dbraw/zinc/38/38/34/999383834.db2.gz JQIYZSIWXGSKSR-YPMHNXCESA-N -1 0 349.387 2.647 20 5 EFBDRM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@@H]1CCO ZINC001594389190 999474374 /nfs/dbraw/zinc/47/43/74/999474374.db2.gz NLVHESZLWCQOCT-NXEZZACHSA-N -1 0 342.779 2.934 20 5 EFBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@H](C)CC ZINC000785091630 1092359671 /nfs/dbraw/zinc/35/96/71/1092359671.db2.gz XAHGPFKEHAEOJJ-SECBINFHSA-N -1 0 346.430 2.565 20 5 EFBDRM CC(C)(C)OC1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001589193357 1093044191 /nfs/dbraw/zinc/04/41/91/1093044191.db2.gz RAHUTNPSIKLCLN-UHFFFAOYSA-N -1 0 346.391 2.559 20 5 EFBDRM CCC(C)(C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590376582 1093394935 /nfs/dbraw/zinc/39/49/35/1093394935.db2.gz JJAYRNKGMYJLNH-UHFFFAOYSA-N -1 0 327.348 2.924 20 5 EFBDRM Cc1cccnc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592034788 1093962891 /nfs/dbraw/zinc/96/28/91/1093962891.db2.gz NFUGUJUBDCUADQ-LLVKDONJSA-N -1 0 339.359 2.960 20 5 EFBDRM Cc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592051218 1093966852 /nfs/dbraw/zinc/96/68/52/1093966852.db2.gz HKRPNBCNWUWUFA-OIBJUYFYSA-N -1 0 342.281 2.694 20 5 EFBDRM Cc1cc(NCc2ccc(F)c(F)c2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592052514 1093967080 /nfs/dbraw/zinc/96/70/80/1093967080.db2.gz OTGSLSIPZKAIDX-UHFFFAOYSA-N -1 0 346.297 2.974 20 5 EFBDRM Cc1cc(Oc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001592063017 1093971724 /nfs/dbraw/zinc/97/17/24/1093971724.db2.gz SEMCXAOFNNTGPJ-UHFFFAOYSA-N -1 0 342.271 2.784 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1Oc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001592197939 1094024809 /nfs/dbraw/zinc/02/48/09/1094024809.db2.gz OZMAQPDNUMZUHM-UHFFFAOYSA-N -1 0 338.736 2.986 20 5 EFBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nn[nH]n2)cc1F ZINC001593480877 1094327286 /nfs/dbraw/zinc/32/72/86/1094327286.db2.gz AOUMYDSEAQQPJK-UHFFFAOYSA-N -1 0 347.331 2.912 20 5 EFBDRM Cc1cccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594393640 1094426774 /nfs/dbraw/zinc/42/67/74/1094426774.db2.gz NSXYZGDDHXUAPP-HNNXBMFYSA-N -1 0 328.324 2.767 20 5 EFBDRM CCc1[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1C(=O)[O-] ZINC001597372942 1094583623 /nfs/dbraw/zinc/58/36/23/1094583623.db2.gz KFCBIJDSCNMYKB-UHFFFAOYSA-N -1 0 335.291 2.883 20 5 EFBDRM Cc1c(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600005528 1094716003 /nfs/dbraw/zinc/71/60/03/1094716003.db2.gz PNFVRYUXMDVSAW-OAHLLOKOSA-N -1 0 347.298 2.895 20 5 EFBDRM Cc1c(CC(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001600008914 1094717131 /nfs/dbraw/zinc/71/71/31/1094717131.db2.gz FRLUZRXRRQKDEK-GNXNZQSNSA-N -1 0 334.372 2.546 20 5 EFBDRM Cc1c(CC(=O)N(CC(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC001600009570 1094718053 /nfs/dbraw/zinc/71/80/53/1094718053.db2.gz OFKOXAPHRUWBHW-UHFFFAOYSA-N -1 0 334.372 2.692 20 5 EFBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC001600011384 1094718247 /nfs/dbraw/zinc/71/82/47/1094718247.db2.gz OIOHSASSUOUFFC-INIZCTEOSA-N -1 0 334.372 2.595 20 5 EFBDRM Cc1c(NC(=O)C2(C(C)(F)F)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600030600 1094728928 /nfs/dbraw/zinc/72/89/28/1094728928.db2.gz IAWGUYXPVLQUFX-UHFFFAOYSA-N -1 0 328.271 2.975 20 5 EFBDRM Cc1c(NC(=O)C[C@@H]2CC(C)(C)CO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033492 1094729378 /nfs/dbraw/zinc/72/93/78/1094729378.db2.gz MXGBSNZRTAMZII-LLVKDONJSA-N -1 0 336.344 2.745 20 5 EFBDRM Cc1c(NC(=O)COc2ccccc2F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035685 1094731031 /nfs/dbraw/zinc/73/10/31/1094731031.db2.gz NWIOSCYFSZRCAO-UHFFFAOYSA-N -1 0 348.286 2.758 20 5 EFBDRM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cccc1C(=O)[O-] ZINC001600036033 1094733007 /nfs/dbraw/zinc/73/30/07/1094733007.db2.gz VHGJNIWMACZJMF-UHFFFAOYSA-N -1 0 348.286 2.758 20 5 EFBDRM Cc1c(NC(=O)NC2CC(F)(F)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040995 1094736202 /nfs/dbraw/zinc/73/62/02/1094736202.db2.gz OKFAOWMXTWJREO-UHFFFAOYSA-N -1 0 329.259 2.521 20 5 EFBDRM Cc1c(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001600044775 1094738437 /nfs/dbraw/zinc/73/84/37/1094738437.db2.gz PEDTUNNNQMBCCK-UHFFFAOYSA-N -1 0 343.339 2.852 20 5 EFBDRM Cc1c(NC(=O)NOC2CCCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044292 1094739577 /nfs/dbraw/zinc/73/95/77/1094739577.db2.gz JXXMDDLNVSVJOX-UHFFFAOYSA-N -1 0 337.332 2.987 20 5 EFBDRM Cc1c(NC(=O)c2ccnn2CC(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048027 1094741672 /nfs/dbraw/zinc/74/16/72/1094741672.db2.gz SOVGAGCHQHQIOF-UHFFFAOYSA-N -1 0 346.343 2.706 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC001600105871 1094773602 /nfs/dbraw/zinc/77/36/02/1094773602.db2.gz YAPCKCSZFBAFLU-CHWSQXEVSA-N -1 0 349.387 2.639 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3ccccn3)C2)n1 ZINC001600105876 1094774086 /nfs/dbraw/zinc/77/40/86/1094774086.db2.gz YDBMNTHDCRHSMZ-GFCCVEGCSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc3c(c2)COC(=O)N3)n1 ZINC001600106213 1094774098 /nfs/dbraw/zinc/77/40/98/1094774098.db2.gz FXUPTPGJNHZEHQ-UHFFFAOYSA-N -1 0 344.283 2.802 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)n1 ZINC001600104814 1094774179 /nfs/dbraw/zinc/77/41/79/1094774179.db2.gz HVVPEZOGROWQMH-IANATYFASA-N -1 0 329.356 2.645 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCOc2cccc(F)c2)n1 ZINC001600105974 1094774321 /nfs/dbraw/zinc/77/43/21/1094774321.db2.gz QULXUUMVVLZCIT-UHFFFAOYSA-N -1 0 335.291 2.626 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC001600106964 1094775511 /nfs/dbraw/zinc/77/55/11/1094775511.db2.gz MQZUVVAHOKVOSG-VXNVDRBHSA-N -1 0 349.265 2.518 20 5 EFBDRM Cc1cc(C(=O)OCc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001600138484 1094796839 /nfs/dbraw/zinc/79/68/39/1094796839.db2.gz MQULSNWVLPCGCZ-UHFFFAOYSA-N -1 0 329.308 2.887 20 5 EFBDRM Cc1cc(C(=O)OCCOc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600138919 1094797018 /nfs/dbraw/zinc/79/70/18/1094797018.db2.gz UKFCHDJEFPOHST-UHFFFAOYSA-N -1 0 345.307 2.837 20 5 EFBDRM Cc1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])ccc1F ZINC001600146028 1094805079 /nfs/dbraw/zinc/80/50/79/1094805079.db2.gz ARDKIYDPJNTPBV-AWEZNQCLSA-N -1 0 332.287 2.598 20 5 EFBDRM Cc1cc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])ccc1F ZINC001600150097 1094810600 /nfs/dbraw/zinc/81/06/00/1094810600.db2.gz YQHMUBOJMHBFAW-HNNXBMFYSA-N -1 0 346.314 2.906 20 5 EFBDRM Cc1cc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])ccc1F ZINC001600150738 1094812880 /nfs/dbraw/zinc/81/28/80/1094812880.db2.gz PSEBPMMIJNAABR-MRXNPFEDSA-N -1 0 346.314 2.527 20 5 EFBDRM Cc1cc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600151753 1094814880 /nfs/dbraw/zinc/81/48/80/1094814880.db2.gz YMVOIIODMFZZDS-INIZCTEOSA-N -1 0 346.314 2.527 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001600164890 1094828513 /nfs/dbraw/zinc/82/85/13/1094828513.db2.gz MHOBHKMYALFVCJ-UHFFFAOYSA-N -1 0 349.368 2.951 20 5 EFBDRM Cc1cc(C)nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001600181118 1094847351 /nfs/dbraw/zinc/84/73/51/1094847351.db2.gz RUPAVYLDTZTBDK-UHFFFAOYSA-N -1 0 329.312 2.866 20 5 EFBDRM Cc1cc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc(C)c1O ZINC001600189366 1094853291 /nfs/dbraw/zinc/85/32/91/1094853291.db2.gz VCGBMCCFIIMJSL-UHFFFAOYSA-N -1 0 331.328 2.665 20 5 EFBDRM Cc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600202533 1094874272 /nfs/dbraw/zinc/87/42/72/1094874272.db2.gz SEDNOICWYASEIW-UHFFFAOYSA-N -1 0 338.703 2.778 20 5 EFBDRM Cc1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)oc1C(=O)[O-] ZINC001600211950 1094888239 /nfs/dbraw/zinc/88/82/39/1094888239.db2.gz GUWJCNNLGNKRSB-UHFFFAOYSA-N -1 0 328.284 2.750 20 5 EFBDRM Cc1cc(Cl)c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600216347 1094892141 /nfs/dbraw/zinc/89/21/41/1094892141.db2.gz DECDFOZJSVBIJP-JTQLQIEISA-N -1 0 340.763 2.787 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001600215529 1094892205 /nfs/dbraw/zinc/89/22/05/1094892205.db2.gz BXRQXMZNINMMIB-UHFFFAOYSA-N -1 0 328.752 2.882 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600215807 1094892332 /nfs/dbraw/zinc/89/23/32/1094892332.db2.gz HGXPXZMKVQWYCD-SDBXPKJASA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001600216771 1094893262 /nfs/dbraw/zinc/89/32/62/1094893262.db2.gz JCQXYMPVWLBQQI-JOYOIKCWSA-N -1 0 340.763 2.930 20 5 EFBDRM Cc1cc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001600214425 1094893364 /nfs/dbraw/zinc/89/33/64/1094893364.db2.gz UXTYMRJBWYMACN-DAXSKMNVSA-N -1 0 331.280 2.951 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001600216888 1094893616 /nfs/dbraw/zinc/89/36/16/1094893616.db2.gz SHFWSZOQTMULKP-UHFFFAOYSA-N -1 0 341.732 2.964 20 5 EFBDRM Cc1cc(Cl)c(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001600216975 1094895182 /nfs/dbraw/zinc/89/51/82/1094895182.db2.gz OLPPIZANWXUWFA-UHFFFAOYSA-N -1 0 335.703 2.902 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001600219205 1094895727 /nfs/dbraw/zinc/89/57/27/1094895727.db2.gz WHTDLTKNHAWOBH-HNNXBMFYSA-N -1 0 340.763 2.884 20 5 EFBDRM Cc1cc(F)ccc1[C@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001600232529 1094904941 /nfs/dbraw/zinc/90/49/41/1094904941.db2.gz GQEHZJRJDWJKIP-OAHLLOKOSA-N -1 0 335.287 2.853 20 5 EFBDRM Cc1cc(N2CCc3c(O)cccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600242229 1094912237 /nfs/dbraw/zinc/91/22/37/1094912237.db2.gz DKVLQQGSHOKVGI-UHFFFAOYSA-N -1 0 328.324 2.870 20 5 EFBDRM Cc1cc(N2Cc3c[nH]nc3CC(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600243216 1094912292 /nfs/dbraw/zinc/91/22/92/1094912292.db2.gz GEZGWVFVYYQLSW-UHFFFAOYSA-N -1 0 344.371 2.913 20 5 EFBDRM Cc1cc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC001600243566 1094912838 /nfs/dbraw/zinc/91/28/38/1094912838.db2.gz PKSZTXCHJKXPCG-UONOGXRCSA-N -1 0 327.340 2.603 20 5 EFBDRM Cc1cc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)ncc1[N+](=O)[O-] ZINC001600241983 1094913049 /nfs/dbraw/zinc/91/30/49/1094913049.db2.gz SDDCBGYOWCCTKD-JTQLQIEISA-N -1 0 348.384 2.837 20 5 EFBDRM Cc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001600258064 1094918741 /nfs/dbraw/zinc/91/87/41/1094918741.db2.gz NFFJVHPQMLNSKV-UHFFFAOYSA-N -1 0 332.287 2.922 20 5 EFBDRM Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ncc1C(=O)[O-] ZINC001600263739 1094924883 /nfs/dbraw/zinc/92/48/83/1094924883.db2.gz CHESJSVVTGIDBZ-JTQLQIEISA-N -1 0 344.327 2.879 20 5 EFBDRM Cc1cc(NC[C@@H](O)Cc2cccc(F)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279416 1094940719 /nfs/dbraw/zinc/94/07/19/1094940719.db2.gz 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1098802049 /nfs/dbraw/zinc/80/20/49/1098802049.db2.gz OBXZHJQZONGKHN-UHFFFAOYSA-N -1 0 335.703 2.781 20 5 EFBDRM O=C([O-])c1ccc(OC(=O)CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC001610655292 1098806403 /nfs/dbraw/zinc/80/64/03/1098806403.db2.gz KLKFBWSTPNQSTM-UHFFFAOYSA-N -1 0 337.328 2.795 20 5 EFBDRM O=C([O-])c1ccc(OC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC001610673014 1098818093 /nfs/dbraw/zinc/81/80/93/1098818093.db2.gz MOZXNBAPQIONLV-UHFFFAOYSA-N -1 0 337.234 2.719 20 5 EFBDRM O=C([O-])[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001610728901 1098855315 /nfs/dbraw/zinc/85/53/15/1098855315.db2.gz LPZZVXMADVFESP-MRXNPFEDSA-N -1 0 349.293 2.799 20 5 EFBDRM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001610744655 1098862659 /nfs/dbraw/zinc/86/26/59/1098862659.db2.gz VZNUDZAVIWVLKM-WBVHZDCISA-N -1 0 342.351 2.707 20 5 EFBDRM O=C([O-])COc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610787295 1098886901 /nfs/dbraw/zinc/88/69/01/1098886901.db2.gz 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O=C([O-])c1ccc(OCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC001610837444 1098925102 /nfs/dbraw/zinc/92/51/02/1098925102.db2.gz AXBAWQDPMDYVRA-UHFFFAOYSA-N -1 0 331.280 2.643 20 5 EFBDRM O=C([O-])c1ccc(OC(=O)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001610836673 1098925908 /nfs/dbraw/zinc/92/59/08/1098925908.db2.gz STVZMTAJQMKXKR-UHFFFAOYSA-N -1 0 327.292 2.613 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cnn(CC(F)(F)F)c2)c1 ZINC001610840850 1098926966 /nfs/dbraw/zinc/92/69/66/1098926966.db2.gz DUTXWQSZOQINJP-UHFFFAOYSA-N -1 0 344.249 2.664 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc3c[nH]nc3c2)c1 ZINC001610840788 1098927347 /nfs/dbraw/zinc/92/73/47/1098927347.db2.gz BZNFPCHRNBZORO-UHFFFAOYSA-N -1 0 326.312 2.824 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC001610841972 1098928419 /nfs/dbraw/zinc/92/84/19/1098928419.db2.gz NYJPODVKWOPWMJ-HNNXBMFYSA-N -1 0 330.344 2.743 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC=C(c3ccccc3)C2)n1 ZINC001610842498 1098929072 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Cc1cccc(CO[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000898935272 1109143176 /nfs/dbraw/zinc/14/31/76/1109143176.db2.gz WHWUANRSUVDGRQ-UHFFFAOYSA-N -1 0 329.356 2.824 20 5 EFBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000153111531 1111116770 /nfs/dbraw/zinc/11/67/70/1111116770.db2.gz YPZSNRAVNWBXPA-CQSZACIVSA-N -1 0 342.417 2.613 20 5 EFBDRM CCC(CC)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000325410337 282110041 /nfs/dbraw/zinc/11/00/41/282110041.db2.gz KGDWOMCKBNBNPH-UHFFFAOYSA-N -1 0 339.348 2.616 20 5 EFBDRM O=C(N[C@H]1CCCOc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923431 303962017 /nfs/dbraw/zinc/96/20/17/303962017.db2.gz COZAMVAPWPOKEX-ZDUSSCGKSA-N -1 0 328.324 2.944 20 5 EFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000055547196 214328109 /nfs/dbraw/zinc/32/81/09/214328109.db2.gz ZAXXBOFMMFPKBQ-UHFFFAOYSA-N -1 0 326.305 2.543 20 5 EFBDRM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000160756804 303975658 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330.296 2.868 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001330250894 961332930 /nfs/dbraw/zinc/33/29/30/961332930.db2.gz AOJUEDNHPUYSDV-CQSZACIVSA-N -1 0 349.387 2.647 20 5 EFBDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001588809184 961506671 /nfs/dbraw/zinc/50/66/71/961506671.db2.gz FFJCIAHIEJZRGX-SNVBAGLBSA-N -1 0 334.250 2.909 20 5 EFBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001573957102 961677728 /nfs/dbraw/zinc/67/77/28/961677728.db2.gz XLKRHTHLFXUBFB-CMPLNLGQSA-N -1 0 335.360 2.874 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)nc1 ZINC001574524411 961869217 /nfs/dbraw/zinc/86/92/17/961869217.db2.gz NBXXBMMGCYKTIX-UHFFFAOYSA-N -1 0 344.327 2.519 20 5 EFBDRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588847691 961903885 /nfs/dbraw/zinc/90/38/85/961903885.db2.gz ZONSOOKEVQPFRU-GHMZBOCLSA-N -1 0 340.351 2.701 20 5 EFBDRM 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Cc1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001605077307 972711361 /nfs/dbraw/zinc/71/13/61/972711361.db2.gz VWBJRVCENPHMFN-HUUCEWRRSA-N -1 0 340.335 2.946 20 5 EFBDRM Cc1c(Br)c(N([C@H](C)C(=O)[O-])C2CC2)ncc1[N+](=O)[O-] ZINC001605093939 972752776 /nfs/dbraw/zinc/75/27/76/972752776.db2.gz YRQLROGEZSMRNF-SSDOTTSWSA-N -1 0 344.165 2.503 20 5 EFBDRM Cc1cc(C(=O)[O-])cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001605132342 972796139 /nfs/dbraw/zinc/79/61/39/972796139.db2.gz GVHINXWAIALSIR-UHFFFAOYSA-N -1 0 326.308 2.757 20 5 EFBDRM O=C([O-])C1(c2noc(-c3ccc([N+](=O)[O-])c4cccnc34)n2)CCC1 ZINC001605964245 972948455 /nfs/dbraw/zinc/94/84/55/972948455.db2.gz YBQWPTXQTXGJOC-UHFFFAOYSA-N -1 0 340.295 2.699 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC001605225090 972977813 /nfs/dbraw/zinc/97/78/13/972977813.db2.gz NCTYNHPHGQTQQU-UHFFFAOYSA-N -1 0 340.763 2.930 20 5 EFBDRM C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC001603407690 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COc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001604820395 974054990 /nfs/dbraw/zinc/05/49/90/974054990.db2.gz BULULYPTGIWLCO-HWKANZROSA-N -1 0 332.268 2.547 20 5 EFBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603692402 974087757 /nfs/dbraw/zinc/08/77/57/974087757.db2.gz ZXXXIDLXKZGLGZ-MGCOHNPYSA-N -1 0 338.385 2.690 20 5 EFBDRM O=C([O-])c1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC001605687232 974101925 /nfs/dbraw/zinc/10/19/25/974101925.db2.gz IBSHLWLIRQUDOV-UHFFFAOYSA-N -1 0 349.730 2.913 20 5 EFBDRM CCOc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc1[N+](=O)[O-] ZINC001603860185 974361682 /nfs/dbraw/zinc/36/16/82/974361682.db2.gz TWDKCEFIDLRTCT-YVMONPNESA-N -1 0 346.295 2.937 20 5 EFBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001591771764 975899760 /nfs/dbraw/zinc/89/97/60/975899760.db2.gz FPFWYTCKVNIBIN-UHFFFAOYSA-N -1 0 333.300 2.661 20 5 EFBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001591829170 976090391 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2.733 20 5 EFBDRM C[C@@H](NC(=O)c1ccc(N[C@@H](C)CCC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592477871 978247144 /nfs/dbraw/zinc/24/71/44/978247144.db2.gz PQDFLKKWKPLHKF-WDEREUQCSA-N -1 0 349.387 2.788 20 5 EFBDRM Cc1cccc(OCCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000738311131 978515349 /nfs/dbraw/zinc/51/53/49/978515349.db2.gz SWYJCXPFCDEWOA-UHFFFAOYSA-N -1 0 331.328 2.877 20 5 EFBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000738606092 978571525 /nfs/dbraw/zinc/57/15/25/978571525.db2.gz BYXDWGKXPPDRPX-UHFFFAOYSA-N -1 0 346.314 2.503 20 5 EFBDRM O=C([O-])c1ccnc(Oc2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000738695236 978592196 /nfs/dbraw/zinc/59/21/96/978592196.db2.gz GLODTXHEBIIMEO-UHFFFAOYSA-N -1 0 343.295 2.829 20 5 EFBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738713732 978594457 /nfs/dbraw/zinc/59/44/57/978594457.db2.gz LFLPJONQMLQYBA-CQSZACIVSA-N -1 0 333.271 2.587 20 5 EFBDRM C[C@@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC001592660298 978643957 /nfs/dbraw/zinc/64/39/57/978643957.db2.gz ORVZDOKYXMBFDS-LBPRGKRZSA-N -1 0 349.387 2.595 20 5 EFBDRM C[C@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592661092 978646765 /nfs/dbraw/zinc/64/67/65/978646765.db2.gz ZRTXTHSUUNMMDS-PXAZEXFGSA-N -1 0 349.387 2.595 20 5 EFBDRM CCCCC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828133190 978971081 /nfs/dbraw/zinc/97/10/81/978971081.db2.gz OQXRYTLWPQSCDJ-GFCCVEGCSA-N -1 0 338.360 2.675 20 5 EFBDRM C[C@H]1COc2ccccc2N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828509861 978984927 /nfs/dbraw/zinc/98/49/27/978984927.db2.gz VQYYNRLUUDRPHA-JTQLQIEISA-N -1 0 342.307 2.721 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000833143270 979094318 /nfs/dbraw/zinc/09/43/18/979094318.db2.gz CATODPAGRMMPHV-UHFFFAOYSA-N -1 0 329.312 2.657 20 5 EFBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001592729127 979241095 /nfs/dbraw/zinc/24/10/95/979241095.db2.gz 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O=C([O-])/C=C/c1ccc(NCCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000844208484 979358684 /nfs/dbraw/zinc/35/86/84/979358684.db2.gz VMYMVJSMXFPZTK-GQCTYLIASA-N -1 0 330.344 2.781 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000844210539 979363732 /nfs/dbraw/zinc/36/37/32/979363732.db2.gz WCIBDXLVXJQGNE-KRWDZBQOSA-N -1 0 334.372 2.619 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C[C@H](O)c2ccco2)n1 ZINC000844215337 979376927 /nfs/dbraw/zinc/37/69/27/979376927.db2.gz OXTQORYCQCKNJM-KOLCDFICSA-N -1 0 335.316 2.514 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)C[C@@H](O)c2ccco2)n1 ZINC000844215336 979377066 /nfs/dbraw/zinc/37/70/66/979377066.db2.gz OXTQORYCQCKNJM-GXSJLCMTSA-N -1 0 335.316 2.514 20 5 EFBDRM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844215947 979377941 /nfs/dbraw/zinc/37/79/41/979377941.db2.gz VGEZMRCLZSFTNL-QMTHXVAHSA-N -1 0 334.328 2.739 20 5 EFBDRM C[C@H](C[C@@H](O)c1cccs1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844216456 979378931 /nfs/dbraw/zinc/37/89/31/979378931.db2.gz ZPROCFNXWFUWKP-LDYMZIIASA-N -1 0 337.357 2.674 20 5 EFBDRM C[C@H](C[C@H](O)c1cccs1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844216453 979379045 /nfs/dbraw/zinc/37/90/45/979379045.db2.gz ZPROCFNXWFUWKP-KCJUWKMLSA-N -1 0 337.357 2.674 20 5 EFBDRM C[C@@](COC(=O)c1cc(F)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592772687 979394026 /nfs/dbraw/zinc/39/40/26/979394026.db2.gz SUWWGQLQVKQQLM-KRWDZBQOSA-N -1 0 347.298 2.933 20 5 EFBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001595098110 979400042 /nfs/dbraw/zinc/40/00/42/979400042.db2.gz JGWNMYWVAUSKMR-UHFFFAOYSA-N -1 0 348.277 2.987 20 5 EFBDRM O=C([O-])[C@]12CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000856995746 979622994 /nfs/dbraw/zinc/62/29/94/979622994.db2.gz YXCFPMFJTFAYRZ-MODSLVQBSA-N -1 0 344.367 2.711 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)n1 ZINC000863480935 979673866 /nfs/dbraw/zinc/67/38/66/979673866.db2.gz 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595213897 980011631 /nfs/dbraw/zinc/01/16/31/980011631.db2.gz YZOLCRFNMCYNAB-CYBMUJFWSA-N -1 0 336.388 2.781 20 5 EFBDRM CC[C@@H](OC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001595340220 980616716 /nfs/dbraw/zinc/61/67/16/980616716.db2.gz LNHQYBFBVJAPPH-NOZJJQNGSA-N -1 0 327.308 2.709 20 5 EFBDRM CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)C(=O)[O-] ZINC001595348373 980646439 /nfs/dbraw/zinc/64/64/39/980646439.db2.gz JZRDHHOGAGQTNE-GMSGAONNSA-N -1 0 347.270 2.852 20 5 EFBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cn1C ZINC001595360947 980757048 /nfs/dbraw/zinc/75/70/48/980757048.db2.gz QNAXKYNVRFQWDY-AWEZNQCLSA-N -1 0 345.355 2.611 20 5 EFBDRM CCC1(CC)CC(=O)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(=O)C1 ZINC001595374804 980888354 /nfs/dbraw/zinc/88/83/54/980888354.db2.gz VSYRSDHAVIYSDS-UHFFFAOYSA-N -1 0 348.355 2.748 20 5 EFBDRM CC[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595407763 980994038 /nfs/dbraw/zinc/99/40/38/980994038.db2.gz JYSYLZCTHGISEQ-BDAKNGLRSA-N -1 0 328.752 2.544 20 5 EFBDRM CC[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595407764 980994519 /nfs/dbraw/zinc/99/45/19/980994519.db2.gz JYSYLZCTHGISEQ-DTWKUNHWSA-N -1 0 328.752 2.544 20 5 EFBDRM CC[C@H]1C[C@H](CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCO1 ZINC001595412029 981008508 /nfs/dbraw/zinc/00/85/08/981008508.db2.gz AIGTZTQBGPEYBS-MNOVXSKESA-N -1 0 337.328 2.794 20 5 EFBDRM CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000903908707 981032999 /nfs/dbraw/zinc/03/29/99/981032999.db2.gz ADVOMNUJYDMZAT-DTORHVGOSA-N -1 0 343.177 2.652 20 5 EFBDRM O=C([O-])c1ccnc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000906152566 981169312 /nfs/dbraw/zinc/16/93/12/981169312.db2.gz UXXZTBLKOCFCIS-NSHDSACASA-N -1 0 349.240 2.559 20 5 EFBDRM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCCO1 ZINC001595492500 981254179 /nfs/dbraw/zinc/25/41/79/981254179.db2.gz PQXHLPLHFMPRIR-VIFPVBQESA-N -1 0 328.752 2.952 20 5 EFBDRM CC[C@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595497599 981257761 /nfs/dbraw/zinc/25/77/61/981257761.db2.gz GKVKUIAHTLAGGE-BDAKNGLRSA-N -1 0 328.752 2.950 20 5 EFBDRM CC/C=C/[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595515319 981323090 /nfs/dbraw/zinc/32/30/90/981323090.db2.gz PRBXYDZXYAMDFO-AAOUONPWSA-N -1 0 325.342 2.650 20 5 EFBDRM CCC(C)(C)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001594801003 981892969 /nfs/dbraw/zinc/89/29/69/981892969.db2.gz WARVWCOFERGXLO-UHFFFAOYSA-N -1 0 345.373 2.828 20 5 EFBDRM CCCC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001595635361 981902273 /nfs/dbraw/zinc/90/22/73/981902273.db2.gz POQQEADLCUZLKV-CYBMUJFWSA-N -1 0 342.779 2.940 20 5 EFBDRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001594817377 981955608 /nfs/dbraw/zinc/95/56/08/981955608.db2.gz OLRWOGNDNKLQNA-BJOHPYRUSA-N -1 0 326.324 2.597 20 5 EFBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001594822494 981975591 /nfs/dbraw/zinc/97/55/91/981975591.db2.gz ZVAJMIQSYCUSLT-CQSZACIVSA-N -1 0 328.752 2.930 20 5 EFBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001594822486 981975899 /nfs/dbraw/zinc/97/58/99/981975899.db2.gz ZVAJMIQSYCUSLT-AWEZNQCLSA-N -1 0 328.752 2.930 20 5 EFBDRM CCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC001595646100 981995866 /nfs/dbraw/zinc/99/58/66/981995866.db2.gz XCJDECPPZBMVCR-ZDUSSCGKSA-N -1 0 332.312 2.943 20 5 EFBDRM CCCC[C@@H](SCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001595656286 982052232 /nfs/dbraw/zinc/05/22/32/982052232.db2.gz WQHGLQZQXVDNEI-GFCCVEGCSA-N -1 0 326.374 2.910 20 5 EFBDRM CCCC[C@@H](Sc1nccc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001595657334 982062218 /nfs/dbraw/zinc/06/22/18/982062218.db2.gz LUBLWMULMPTACG-SECBINFHSA-N -1 0 328.346 2.512 20 5 EFBDRM CCCC[C@@H](Sc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595657953 982067595 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EFBDRM CSc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001599824609 988575336 /nfs/dbraw/zinc/57/53/36/988575336.db2.gz HIFHAAFRDWIBMP-UHFFFAOYSA-N -1 0 333.325 2.662 20 5 EFBDRM C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001599838676 988786417 /nfs/dbraw/zinc/78/64/17/988786417.db2.gz PWFHBWUAICWLQK-BDJLRTHQSA-N -1 0 335.360 2.552 20 5 EFBDRM CCc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C(=O)[O-] ZINC001597681408 988812869 /nfs/dbraw/zinc/81/28/69/988812869.db2.gz BAHWTCZDXUBYEU-UHFFFAOYSA-N -1 0 341.370 2.934 20 5 EFBDRM CCc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)sc1C(=O)[O-] ZINC001597685440 988834612 /nfs/dbraw/zinc/83/46/12/988834612.db2.gz SOLGKGZWLGWRKW-UHFFFAOYSA-N -1 0 335.341 2.873 20 5 EFBDRM C[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001599841325 988838508 /nfs/dbraw/zinc/83/85/08/988838508.db2.gz ZDTSFEZMXPQBOY-LLVKDONJSA-N -1 0 343.339 2.582 20 5 EFBDRM CCc1nccc(C)c1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001597703494 988941368 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ZINC001599710414 991360795 /nfs/dbraw/zinc/36/07/95/991360795.db2.gz NQOMQTCXKCSIBR-CYBMUJFWSA-N -1 0 345.355 2.662 20 5 EFBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccc1C(=O)[O-] ZINC001598333545 991373466 /nfs/dbraw/zinc/37/34/66/991373466.db2.gz HNFWJDSCGHGFGY-UHFFFAOYSA-N -1 0 344.323 2.716 20 5 EFBDRM COc1ccccc1C[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599712046 991388405 /nfs/dbraw/zinc/38/84/05/991388405.db2.gz RLWWQYHSDHKVKW-JTQLQIEISA-N -1 0 331.328 2.740 20 5 EFBDRM COc1csc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599728710 991674335 /nfs/dbraw/zinc/67/43/35/991674335.db2.gz JQLUONFSCIEKMQ-UHFFFAOYSA-N -1 0 336.325 2.924 20 5 EFBDRM COc1nc(C)cc(C)c1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599730524 991703181 /nfs/dbraw/zinc/70/31/81/991703181.db2.gz VAXIHEGKARWHER-UHFFFAOYSA-N -1 0 332.312 2.892 20 5 EFBDRM CC(C)C[C@@H](C)N(C)C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591138225 991854755 /nfs/dbraw/zinc/85/47/55/991854755.db2.gz SVBHYGAXYZPMIT-LLVKDONJSA-N 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CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598517729 992637834 /nfs/dbraw/zinc/63/78/34/992637834.db2.gz GHHRBTPEYYBSPA-CQSZACIVSA-N -1 0 342.779 2.702 20 5 EFBDRM CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598517716 992637908 /nfs/dbraw/zinc/63/79/08/992637908.db2.gz GHHRBTPEYYBSPA-AWEZNQCLSA-N -1 0 342.779 2.702 20 5 EFBDRM CN(Cc1cccc(=O)[nH]1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598525502 992714803 /nfs/dbraw/zinc/71/48/03/992714803.db2.gz NFTWSOMIDXLTJX-UHFFFAOYSA-N -1 0 337.719 2.683 20 5 EFBDRM CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598537827 992861721 /nfs/dbraw/zinc/86/17/21/992861721.db2.gz QHKOCGVKRKVPSR-MRXNPFEDSA-N -1 0 340.339 2.729 20 5 EFBDRM COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001599595789 993748006 /nfs/dbraw/zinc/74/80/06/993748006.db2.gz MPINBFUMQDZRJJ-UHFFFAOYSA-N -1 0 346.295 2.563 20 5 EFBDRM COc1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC001599597186 993764141 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ZINC001598676519 994853610 /nfs/dbraw/zinc/85/36/10/994853610.db2.gz WGGJMQCGGOBBNL-MRVPVSSYSA-N -1 0 334.284 2.846 20 5 EFBDRM CNc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cccc1[N+](=O)[O-] ZINC001598676547 994854362 /nfs/dbraw/zinc/85/43/62/994854362.db2.gz WTPDLUJJYMVQFE-UHFFFAOYSA-N -1 0 329.312 2.895 20 5 EFBDRM CNc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1[N+](=O)[O-] ZINC001598678560 994888686 /nfs/dbraw/zinc/88/86/86/994888686.db2.gz IEYPHQFYZRYQKJ-UHFFFAOYSA-N -1 0 345.311 2.596 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001598680368 994917830 /nfs/dbraw/zinc/91/78/30/994917830.db2.gz DQXGHAXRSQIUSP-QPJJXVBHSA-N -1 0 331.284 2.580 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598680514 994920127 /nfs/dbraw/zinc/92/01/27/994920127.db2.gz MDKGJOGSOCOLCF-UHFFFAOYSA-N -1 0 332.316 2.532 20 5 EFBDRM C[C@@H](Nc1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC001593362207 995029271 /nfs/dbraw/zinc/02/92/71/995029271.db2.gz 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WDXIBVWUYRKFIC-JTQLQIEISA-N -1 0 331.303 2.821 20 5 EFBDRM Cc1nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000600678356 478465401 /nfs/dbraw/zinc/46/54/01/478465401.db2.gz NRCCPSISFZQNBL-UHFFFAOYSA-N -1 0 348.384 2.837 20 5 EFBDRM CCOC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563193047 478475238 /nfs/dbraw/zinc/47/52/38/478475238.db2.gz JOWZEZHWMVUIML-NSHDSACASA-N -1 0 342.779 2.985 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCc3cc(F)ccc3C2)n1 ZINC000563203833 478479394 /nfs/dbraw/zinc/47/93/94/478479394.db2.gz DPUGGWLJKCPHQX-UHFFFAOYSA-N -1 0 331.303 2.698 20 5 EFBDRM COc1cccc2c1C[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000563205068 478480195 /nfs/dbraw/zinc/48/01/95/478480195.db2.gz JHMKWGMIKKPZRD-NSHDSACASA-N -1 0 343.339 2.584 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](Nc3ccccc3)C2)n1 ZINC000563206730 478480670 /nfs/dbraw/zinc/48/06/70/478480670.db2.gz MVWYDPBUVOXXNL-ZDUSSCGKSA-N -1 0 342.355 2.687 20 5 EFBDRM C[C@@H]1Cc2ccccc2N1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563207845 478482284 /nfs/dbraw/zinc/48/22/84/478482284.db2.gz UCORLDSDDJEQSX-LLVKDONJSA-N -1 0 342.355 2.551 20 5 EFBDRM CC(C)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1ccccc1 ZINC000570931571 478483698 /nfs/dbraw/zinc/48/36/98/478483698.db2.gz WCACJLOOIBVXCE-UHFFFAOYSA-N -1 0 331.328 2.958 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000563213438 478484250 /nfs/dbraw/zinc/48/42/50/478484250.db2.gz XGLMZADIPWVFJC-KDOFPFPSSA-N -1 0 342.351 2.871 20 5 EFBDRM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000591269587 478504058 /nfs/dbraw/zinc/50/40/58/478504058.db2.gz FZTGYRXLHFVJKW-AWEZNQCLSA-N -1 0 348.380 2.609 20 5 EFBDRM O=C([O-])c1ccnc(N[C@@H]2CCCC[C@H]2OC(F)F)c1[N+](=O)[O-] ZINC000582125436 478518402 /nfs/dbraw/zinc/51/84/02/478518402.db2.gz RTNQFOOQYSQPGH-RKDXNWHRSA-N -1 0 331.275 2.650 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@H]3CCCCO3)CC2)n1 ZINC000594734530 478519962 /nfs/dbraw/zinc/51/99/62/478519962.db2.gz AJBVXSFIWNUVAW-CQSZACIVSA-N -1 0 349.387 2.782 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594736285 478522453 /nfs/dbraw/zinc/52/24/53/478522453.db2.gz OKOHBUXVFCLJFS-ZJUUUORDSA-N -1 0 332.278 2.993 20 5 EFBDRM Cc1ccc2c(c1)CN(c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000594737283 478522613 /nfs/dbraw/zinc/52/26/13/478522613.db2.gz WXUXHORMFPEUHI-UHFFFAOYSA-N -1 0 327.340 2.868 20 5 EFBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000591326807 478523343 /nfs/dbraw/zinc/52/33/43/478523343.db2.gz SLSXNSNLKDMTAQ-SECBINFHSA-N -1 0 330.287 2.887 20 5 EFBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCCC(=O)[O-] ZINC000591326730 478523579 /nfs/dbraw/zinc/52/35/79/478523579.db2.gz NAQWQOQYFXIGGI-UHFFFAOYSA-N -1 0 328.296 2.577 20 5 EFBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C2CC2)cn1 ZINC000600809602 478529640 /nfs/dbraw/zinc/52/96/40/478529640.db2.gz ADHQSJLMJIRQJJ-MRXNPFEDSA-N -1 0 343.339 2.585 20 5 EFBDRM CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600871689 478546449 /nfs/dbraw/zinc/54/64/49/478546449.db2.gz BJENONPZYWECJU-QLFBSQMISA-N -1 0 346.383 2.873 20 5 EFBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000600871570 478546470 /nfs/dbraw/zinc/54/64/70/478546470.db2.gz ALJUZXHEEPZIFK-WKPIXPDZSA-N -1 0 332.356 2.944 20 5 EFBDRM Cc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1[N+](=O)[O-] ZINC000600873740 478547316 /nfs/dbraw/zinc/54/73/16/478547316.db2.gz DAMSVKLCVLFITE-AWEZNQCLSA-N -1 0 334.372 2.914 20 5 EFBDRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000600874077 478547982 /nfs/dbraw/zinc/54/79/82/478547982.db2.gz HMMHENSCIJOMEL-OAGGEKHMSA-N -1 0 346.383 2.629 20 5 EFBDRM Cc1ccc(CC[C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000600873153 478548000 /nfs/dbraw/zinc/54/80/00/478548000.db2.gz SGSUOMYRSRJJRY-JTQLQIEISA-N -1 0 346.339 2.946 20 5 EFBDRM 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CCc1nn(C)c(CC)c1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000564572210 478761671 /nfs/dbraw/zinc/76/16/71/478761671.db2.gz NYHUGJLSEKYSCV-UHFFFAOYSA-N -1 0 332.360 2.763 20 5 EFBDRM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598378785 478795223 /nfs/dbraw/zinc/79/52/23/478795223.db2.gz KQYWVKAYIFXYCV-OAHLLOKOSA-N -1 0 341.367 2.651 20 5 EFBDRM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000598379232 478796086 /nfs/dbraw/zinc/79/60/86/478796086.db2.gz QLIAWTOPTFCLQV-CQSZACIVSA-N -1 0 341.367 2.651 20 5 EFBDRM CC[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000592206852 478827125 /nfs/dbraw/zinc/82/71/25/478827125.db2.gz GXASEMYMZNONSI-CQSZACIVSA-N -1 0 349.387 2.942 20 5 EFBDRM C[C@H](CO)N(CC1CCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023016 478888055 /nfs/dbraw/zinc/88/80/55/478888055.db2.gz JEVBQMJHYUDMQS-SECBINFHSA-N -1 0 342.779 2.577 20 5 EFBDRM CCc1nc(CN(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000565038866 478893241 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HUWQIBMVBJSPQG-HIFPTAJRSA-N -1 0 349.387 2.641 20 5 EFBDRM C[C@@H](CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001589058339 955716556 /nfs/dbraw/zinc/71/65/56/955716556.db2.gz XZOHKJMNYOOYRO-JTQLQIEISA-N -1 0 344.327 2.613 20 5 EFBDRM COC(=O)c1cccc(OCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001593899342 955859534 /nfs/dbraw/zinc/85/95/34/955859534.db2.gz ZKEVLIFEQGFWJK-UHFFFAOYSA-N -1 0 331.280 2.659 20 5 EFBDRM C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589108476 956045732 /nfs/dbraw/zinc/04/57/32/956045732.db2.gz AIJDDICVUZNJME-LLVKDONJSA-N -1 0 343.339 2.853 20 5 EFBDRM C[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001589160837 956412793 /nfs/dbraw/zinc/41/27/93/956412793.db2.gz JDCMTIBWUUMDMA-NSHDSACASA-N -1 0 345.307 2.976 20 5 EFBDRM Nc1c(NC(=O)NCCCCCC(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC001594663088 956549203 /nfs/dbraw/zinc/54/92/03/956549203.db2.gz MCQQIDSSSOQZEP-UHFFFAOYSA-N -1 0 344.755 2.597 20 5 EFBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594663932 956557844 /nfs/dbraw/zinc/55/78/44/956557844.db2.gz QEFMBMLGYPSDHX-UHFFFAOYSA-N -1 0 347.302 2.586 20 5 EFBDRM Nc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594665794 956572648 /nfs/dbraw/zinc/57/26/48/956572648.db2.gz NWHDEFHYJVHTNZ-UHFFFAOYSA-N -1 0 344.327 2.838 20 5 EFBDRM O=C([O-])c1ccccc1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594706874 956845506 /nfs/dbraw/zinc/84/55/06/956845506.db2.gz SNNHKOAFVRCFBM-UHFFFAOYSA-N -1 0 348.742 2.805 20 5 EFBDRM C[C@@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000013187441 956971389 /nfs/dbraw/zinc/97/13/89/956971389.db2.gz PVXGFAKIBPBYAC-LLVKDONJSA-N -1 0 344.323 2.549 20 5 EFBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001594726114 957003610 /nfs/dbraw/zinc/00/36/10/957003610.db2.gz HZHHXZVTYQCKJY-KBPBESRZSA-N -1 0 326.308 2.638 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001326535458 957325693 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BUWULFHCELBDFW-UHFFFAOYSA-N -1 0 329.308 2.887 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001594307337 957980025 /nfs/dbraw/zinc/98/00/25/957980025.db2.gz LIAXZGXALSRKIA-SECBINFHSA-N -1 0 341.751 2.885 20 5 EFBDRM Cc1cc(Cl)c(C(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001594307698 957982517 /nfs/dbraw/zinc/98/25/17/957982517.db2.gz VDBNDHYFBRDPKO-UHFFFAOYSA-N -1 0 328.752 2.787 20 5 EFBDRM Cc1cc(F)cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001594311427 958027524 /nfs/dbraw/zinc/02/75/24/958027524.db2.gz BKLUEBHODVGECD-UHFFFAOYSA-N -1 0 334.259 2.698 20 5 EFBDRM O=C([O-])c1nccnc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000088087033 958043122 /nfs/dbraw/zinc/04/31/22/958043122.db2.gz PSABRQFDTHREQC-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC001594320236 958122193 /nfs/dbraw/zinc/12/21/93/958122193.db2.gz ZROMYVMKKHXTOL-CQSZACIVSA-N -1 0 347.302 2.990 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C(=O)[O-])C1CCCC1)CC2 ZINC001594331260 958221850 /nfs/dbraw/zinc/22/18/50/958221850.db2.gz VCXOZALGRVBVLX-OAHLLOKOSA-N -1 0 332.356 2.683 20 5 EFBDRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001588481344 958593144 /nfs/dbraw/zinc/59/31/44/958593144.db2.gz XRFFTAOCBAPNDC-JHQFHEGESA-N -1 0 332.356 2.567 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594381091 958620772 /nfs/dbraw/zinc/62/07/72/958620772.db2.gz HDWPRFOEYYUQSC-QWHCGFSZSA-N -1 0 347.371 2.786 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594381521 958628872 /nfs/dbraw/zinc/62/88/72/958628872.db2.gz ZQLIDDBNBORADV-AWEZNQCLSA-N -1 0 347.302 2.990 20 5 EFBDRM Cc1cccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594397414 958780884 /nfs/dbraw/zinc/78/08/84/958780884.db2.gz KWRXWSNSYAUVCB-AWEZNQCLSA-N -1 0 329.312 2.851 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001573424425 958784731 /nfs/dbraw/zinc/78/47/31/958784731.db2.gz HYEGERIJNWUZRQ-UHFFFAOYSA-N -1 0 344.314 2.646 20 5 EFBDRM CC(C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001573477747 958961624 /nfs/dbraw/zinc/96/16/24/958961624.db2.gz AHRSHIHZKDCOQN-CSKARUKUSA-N -1 0 344.323 2.951 20 5 EFBDRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551024 959017954 /nfs/dbraw/zinc/01/79/54/959017954.db2.gz MYULQYQBLJHPCS-QWRGUYRKSA-N -1 0 338.335 2.693 20 5 EFBDRM C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551275 959023100 /nfs/dbraw/zinc/02/31/00/959023100.db2.gz BPEVXLTYKMOTJA-SECBINFHSA-N -1 0 326.324 2.597 20 5 EFBDRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001588557441 959067907 /nfs/dbraw/zinc/06/79/07/959067907.db2.gz RBRPLNGGRIOSLC-BONVTDFDSA-N -1 0 346.314 2.780 20 5 EFBDRM CSc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001594192555 959170809 /nfs/dbraw/zinc/17/08/09/959170809.db2.gz AWQRUGBZNJQJEE-UWVGGRQHSA-N -1 0 338.385 2.642 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001594192568 959171105 /nfs/dbraw/zinc/17/11/05/959171105.db2.gz BDFNYHVISXSAFC-JTQLQIEISA-N -1 0 340.401 2.793 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594192689 959172214 /nfs/dbraw/zinc/17/22/14/959172214.db2.gz GCDAGTGNLGQPIZ-UHFFFAOYSA-N -1 0 346.364 2.945 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001594193708 959181181 /nfs/dbraw/zinc/18/11/81/959181181.db2.gz XNWQKHXPGWBSSR-ZJUUUORDSA-N -1 0 338.385 2.642 20 5 EFBDRM C[C@@](NCc1c(F)cc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001603248610 972414239 /nfs/dbraw/zinc/41/42/39/972414239.db2.gz JPMTZJYQXMHKJD-INIZCTEOSA-N -1 0 336.294 2.963 20 5 EFBDRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001594200792 959250094 /nfs/dbraw/zinc/25/00/94/959250094.db2.gz NGARGAJJQVBHDD-UJICNMFASA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001594201807 959252699 /nfs/dbraw/zinc/25/26/99/959252699.db2.gz IGVIBCIEPDVRKF-LLVKDONJSA-N -1 0 343.339 2.853 20 5 EFBDRM C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001594201972 959254412 /nfs/dbraw/zinc/25/44/12/959254412.db2.gz OUGUGPBPRBFUBY-LLVKDONJSA-N -1 0 343.339 2.853 20 5 EFBDRM CC(C)(C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001588607790 959495215 /nfs/dbraw/zinc/49/52/15/959495215.db2.gz QZMUWMSNNGWGEY-LBPRGKRZSA-N -1 0 334.372 2.586 20 5 EFBDRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001588610027 959500006 /nfs/dbraw/zinc/50/00/06/959500006.db2.gz JEHPQPNVPARTAV-UHFFFAOYSA-N -1 0 342.351 2.887 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594235302 959507013 /nfs/dbraw/zinc/50/70/13/959507013.db2.gz IDVBLPUQJUTBGI-QWHCGFSZSA-N -1 0 349.387 2.942 20 5 EFBDRM C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001594240677 959527873 /nfs/dbraw/zinc/52/78/73/959527873.db2.gz LLVSTHPTYQRYDM-GFVADAIESA-N -1 0 330.296 2.777 20 5 EFBDRM CC(C)(C)CC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588647375 959745240 /nfs/dbraw/zinc/74/52/40/959745240.db2.gz FFPVHHXPFQQSNH-NSHDSACASA-N -1 0 344.314 2.882 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001588652442 959775700 /nfs/dbraw/zinc/77/57/00/959775700.db2.gz AVWMYSZGJZHKBM-UHFFFAOYSA-N -1 0 340.401 2.646 20 5 EFBDRM C[C@@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccccc1[N+](=O)[O-] ZINC001603272435 972484640 /nfs/dbraw/zinc/48/46/40/972484640.db2.gz PNQUXMDFDLBFGT-SNVBAGLBSA-N -1 0 339.369 2.797 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001588654151 960408396 /nfs/dbraw/zinc/40/83/96/960408396.db2.gz WFHKSHNDBIFNJU-UHFFFAOYSA-N -1 0 328.752 2.821 20 5 EFBDRM C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727523 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ZINC001590656416 990354971 /nfs/dbraw/zinc/35/49/71/990354971.db2.gz SVMNXUHAGREIMZ-KBPBESRZSA-N -1 0 340.420 2.704 20 5 EFBDRM CC(C)(CCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])[N+](=O)[O-] ZINC001590656418 990355079 /nfs/dbraw/zinc/35/50/79/990355079.db2.gz SVMNXUHAGREIMZ-KGLIPLIRSA-N -1 0 340.420 2.704 20 5 EFBDRM CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598082946 990404886 /nfs/dbraw/zinc/40/48/86/990404886.db2.gz KLMRJCSGMPSCAR-OTSSQURYSA-N -1 0 346.261 2.549 20 5 EFBDRM CN(C)C(=O)c1cccc(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001598157353 990651839 /nfs/dbraw/zinc/65/18/39/990651839.db2.gz WACJCIGSHCHKDV-UHFFFAOYSA-N -1 0 344.323 2.574 20 5 EFBDRM CC(C)(CSCc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)[O-] ZINC001590819974 990652452 /nfs/dbraw/zinc/65/24/52/990652452.db2.gz COVANHOSUXWGHN-UHFFFAOYSA-N -1 0 327.358 2.805 20 5 EFBDRM CC(C)(NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001590855507 990740154 /nfs/dbraw/zinc/74/01/54/990740154.db2.gz 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2.894 20 5 EFBDRM Cc1cc(C(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001607606618 1097673809 /nfs/dbraw/zinc/67/38/09/1097673809.db2.gz CDUJBASRSVPFNH-UHFFFAOYSA-N -1 0 343.291 2.641 20 5 EFBDRM Cc1cc([C@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001607610058 1097675693 /nfs/dbraw/zinc/67/56/93/1097675693.db2.gz DKGTVRWOPNKQKG-VIFPVBQESA-N -1 0 339.325 2.729 20 5 EFBDRM Cc1cc([C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001607610057 1097675754 /nfs/dbraw/zinc/67/57/54/1097675754.db2.gz DKGTVRWOPNKQKG-SECBINFHSA-N -1 0 339.325 2.729 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001607621589 1097680313 /nfs/dbraw/zinc/68/03/13/1097680313.db2.gz HVIRVCJPHUTCJQ-QWHCGFSZSA-N -1 0 334.372 2.893 20 5 EFBDRM Cc1cc(COC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001607652224 1097690485 /nfs/dbraw/zinc/69/04/85/1097690485.db2.gz SSPQLMWUOTZMCL-UHFFFAOYSA-N -1 0 345.307 2.724 20 5 EFBDRM Cc1cc(Cc2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)ccc1[N+](=O)[O-] ZINC001607654800 1097691328 /nfs/dbraw/zinc/69/13/28/1097691328.db2.gz GZVOWQMZANGCPJ-NWDGAFQWSA-N -1 0 331.328 2.845 20 5 EFBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001607662378 1097692953 /nfs/dbraw/zinc/69/29/53/1097692953.db2.gz PLTALZDBONLBJN-UHFFFAOYSA-N -1 0 338.316 2.732 20 5 EFBDRM Cc1cc(N2CCSC[C@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001607668956 1097694517 /nfs/dbraw/zinc/69/45/17/1097694517.db2.gz YELFRVDKKRUDID-SECBINFHSA-N -1 0 330.793 2.811 20 5 EFBDRM Cc1cc(N2CCC[C@@H](c3ncccn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669168 1097694872 /nfs/dbraw/zinc/69/48/72/1097694872.db2.gz DMBNNTDGTSHJOE-GFCCVEGCSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(N2CCC(O)(C3CCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607669843 1097695717 /nfs/dbraw/zinc/69/57/17/1097695717.db2.gz QESYKPMEFLCUQE-UHFFFAOYSA-N -1 0 334.372 2.733 20 5 EFBDRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ncc1C(=O)[O-] ZINC001607678620 1097696252 /nfs/dbraw/zinc/69/62/52/1097696252.db2.gz YFSNLRNYJIOLNP-CHWSQXEVSA-N -1 0 341.323 2.739 20 5 EFBDRM Cc1cc(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001607690179 1097699729 /nfs/dbraw/zinc/69/97/29/1097699729.db2.gz CPSUIHUBIJVWST-UHFFFAOYSA-N -1 0 347.331 2.563 20 5 EFBDRM Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(O)c1C ZINC001607692837 1097701276 /nfs/dbraw/zinc/70/12/76/1097701276.db2.gz OGZMXUBZJWEYLQ-UHFFFAOYSA-N -1 0 330.296 2.868 20 5 EFBDRM Cc1cc(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607694568 1097701528 /nfs/dbraw/zinc/70/15/28/1097701528.db2.gz WOAGWQWDQIYDEH-NWDGAFQWSA-N -1 0 349.387 2.660 20 5 EFBDRM Cc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607694631 1097702138 /nfs/dbraw/zinc/70/21/38/1097702138.db2.gz YGJARIUDOSUINM-UIIAUMRVSA-N -1 0 340.401 2.703 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1Cl ZINC001607709515 1097704952 /nfs/dbraw/zinc/70/49/52/1097704952.db2.gz YUZBLYZNGOTHKS-NXEZZACHSA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)sc1C(=O)[O-] ZINC001607709604 1097704957 /nfs/dbraw/zinc/70/49/57/1097704957.db2.gz LCCASHNIZGCNFZ-UHFFFAOYSA-N -1 0 339.304 2.758 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001607709615 1097704967 /nfs/dbraw/zinc/70/49/67/1097704967.db2.gz LMQYAAXADQGQCX-UHFFFAOYSA-N -1 0 343.339 2.913 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001607709241 1097705350 /nfs/dbraw/zinc/70/53/50/1097705350.db2.gz WLJZPYOZNKOGDZ-MRXNPFEDSA-N -1 0 335.360 2.977 20 5 EFBDRM Cc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001607728566 1097711035 /nfs/dbraw/zinc/71/10/35/1097711035.db2.gz SBQIVEYUQVJHGO-UHFFFAOYSA-N -1 0 326.308 2.757 20 5 EFBDRM Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC001607733943 1097712931 /nfs/dbraw/zinc/71/29/31/1097712931.db2.gz ICMLZDQEVSGGLG-UHFFFAOYSA-N -1 0 332.287 2.922 20 5 EFBDRM Cc1noc(CN2CCCc3c(C(=O)[O-])ccc(C)c32)c1[N+](=O)[O-] ZINC001607736627 1097713952 /nfs/dbraw/zinc/71/39/52/1097713952.db2.gz GVZGJMYKGFHKDL-UHFFFAOYSA-N -1 0 331.328 2.851 20 5 EFBDRM Cc1ccc(C(=O)[O-])c2c1CCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC001607737391 1097714120 /nfs/dbraw/zinc/71/41/20/1097714120.db2.gz AQQJROSDIDXROB-UHFFFAOYSA-N -1 0 330.296 2.787 20 5 EFBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC001607739191 1097715014 /nfs/dbraw/zinc/71/50/14/1097715014.db2.gz GGUSFIJHSWKBAD-UHFFFAOYSA-N -1 0 329.312 2.652 20 5 EFBDRM Cc1ccc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001607748760 1097718841 /nfs/dbraw/zinc/71/88/41/1097718841.db2.gz KGFRANXSXSZDTD-OAHLLOKOSA-N -1 0 329.308 2.756 20 5 EFBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001607752974 1097719529 /nfs/dbraw/zinc/71/95/29/1097719529.db2.gz COPISEQVVYTFCK-CQSZACIVSA-N -1 0 346.314 2.988 20 5 EFBDRM Cc1ccc(N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1Br ZINC001607792573 1097735726 /nfs/dbraw/zinc/73/57/26/1097735726.db2.gz IWMQNSCHTQSRCQ-MRVPVSSYSA-N -1 0 329.150 2.577 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001607824663 1097743678 /nfs/dbraw/zinc/74/36/78/1097743678.db2.gz DDHHNUXAHAHBRG-OAHLLOKOSA-N -1 0 347.298 2.895 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3nc(C(=O)[O-])ccc32)c1 ZINC001607825462 1097744027 /nfs/dbraw/zinc/74/40/27/1097744027.db2.gz ULBNRVCGUGJVBU-UHFFFAOYSA-N -1 0 341.323 2.589 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001607824619 1097744102 /nfs/dbraw/zinc/74/41/02/1097744102.db2.gz AXXGLNIHVYVMGK-CQSZACIVSA-N -1 0 342.351 2.637 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001607826694 1097744626 /nfs/dbraw/zinc/74/46/26/1097744626.db2.gz YXYVVFXEMHUGRV-UHFFFAOYSA-N -1 0 348.315 2.646 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001607826173 1097744896 /nfs/dbraw/zinc/74/48/96/1097744896.db2.gz DHECLKXGKBPKMA-UHFFFAOYSA-N -1 0 343.291 2.641 20 5 EFBDRM Cc1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001607858899 1097757407 /nfs/dbraw/zinc/75/74/07/1097757407.db2.gz KFZSOWDKCTVRST-UHFFFAOYSA-N -1 0 330.296 2.619 20 5 EFBDRM Cc1ccnc([C@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC001607894095 1097769929 /nfs/dbraw/zinc/76/99/29/1097769929.db2.gz RGPNCXQQNXWAPD-AWEZNQCLSA-N -1 0 341.367 2.919 20 5 EFBDRM Cc1csc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607927748 1097779097 /nfs/dbraw/zinc/77/90/97/1097779097.db2.gz NCPAFAAIJYJWDU-QMMMGPOBSA-N -1 0 335.341 2.800 20 5 EFBDRM Cc1csc(NCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001607934427 1097781955 /nfs/dbraw/zinc/78/19/55/1097781955.db2.gz YUMANRMFARMBFH-HWKANZROSA-N -1 0 348.384 2.982 20 5 EFBDRM Cc1nc([C@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])no1 ZINC001607949153 1097785562 /nfs/dbraw/zinc/78/55/62/1097785562.db2.gz PMRXBOGFMLJEBH-YFKPBYRVSA-N -1 0 326.696 2.811 20 5 EFBDRM Cc1nc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001607962260 1097789736 /nfs/dbraw/zinc/78/97/36/1097789736.db2.gz GDABFPDJHYZTKK-DAXSKMNVSA-N -1 0 333.325 2.710 20 5 EFBDRM Cc1nc2c(cccc2CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001607969010 1097791970 /nfs/dbraw/zinc/79/19/70/1097791970.db2.gz LXEAQSMKPSLRDJ-UHFFFAOYSA-N -1 0 342.311 2.792 20 5 EFBDRM Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001607966755 1097792072 /nfs/dbraw/zinc/79/20/72/1097792072.db2.gz SRDWIJKGKVIOMA-UHFFFAOYSA-N -1 0 341.732 2.964 20 5 EFBDRM Cc1nn([C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001607998925 1097800924 /nfs/dbraw/zinc/80/09/24/1097800924.db2.gz DPWOYGIULOBSOS-NSHDSACASA-N -1 0 343.261 2.987 20 5 EFBDRM Cc1nn(Cc2cc(C(=O)[O-])ccc2F)c2ncc([N+](=O)[O-])cc12 ZINC001608012164 1097804482 /nfs/dbraw/zinc/80/44/82/1097804482.db2.gz WJUIFNGUCGQDRW-UHFFFAOYSA-N -1 0 330.275 2.534 20 5 EFBDRM Cc1nn(CCOc2ccc([N+](=O)[O-])cc2)c(C)c1CCC(=O)[O-] ZINC001608011305 1097804712 /nfs/dbraw/zinc/80/47/12/1097804712.db2.gz IQFFDOSUIRDVQV-UHFFFAOYSA-N -1 0 333.344 2.504 20 5 EFBDRM Cc1nnc(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC001608015079 1097805817 /nfs/dbraw/zinc/80/58/17/1097805817.db2.gz RPVGVLSRQAVJFK-UHFFFAOYSA-N -1 0 342.764 2.743 20 5 EFBDRM Cc1oc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001608044537 1097814641 /nfs/dbraw/zinc/81/46/41/1097814641.db2.gz XSMIMZHMZSDWOR-UHFFFAOYSA-N -1 0 333.300 2.858 20 5 EFBDRM Cc1oc(CN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001608045082 1097815274 /nfs/dbraw/zinc/81/52/74/1097815274.db2.gz UOHYNQNFMSLSHV-UHFFFAOYSA-N -1 0 336.275 2.606 20 5 EFBDRM Cc1sc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1[N+](=O)[O-] ZINC001608059589 1097820590 /nfs/dbraw/zinc/82/05/90/1097820590.db2.gz PSYKRZWCICYMMI-UHFFFAOYSA-N -1 0 332.337 2.866 20 5 EFBDRM Cn1c2ccccc2c(N[C@H]2CC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1=O ZINC001608075879 1097827309 /nfs/dbraw/zinc/82/73/09/1097827309.db2.gz 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ZINC000565603999 479045296 /nfs/dbraw/zinc/04/52/96/479045296.db2.gz QUHPDLCNBCZBSP-ZDUSSCGKSA-N -1 0 331.328 2.796 20 5 EFBDRM Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000595979288 479087367 /nfs/dbraw/zinc/08/73/67/479087367.db2.gz RWJOZCLWNVPEDA-XXFPWJFMSA-N -1 0 348.277 2.558 20 5 EFBDRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000595979286 479087809 /nfs/dbraw/zinc/08/78/09/479087809.db2.gz RWJOZCLWNVPEDA-KOLSJAJHSA-N -1 0 348.277 2.558 20 5 EFBDRM O=C([O-])[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595991238 479088555 /nfs/dbraw/zinc/08/85/55/479088555.db2.gz ZKQVKDFRWORWBB-MRXNPFEDSA-N -1 0 348.399 2.925 20 5 EFBDRM Cc1c(CNC(=O)C2(C(=O)[O-])CCCCCC2)cccc1[N+](=O)[O-] ZINC000595988329 479088713 /nfs/dbraw/zinc/08/87/13/479088713.db2.gz HFEUGGXVYSNHRW-UHFFFAOYSA-N -1 0 334.372 2.945 20 5 EFBDRM Cc1ccc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000595995345 479090263 /nfs/dbraw/zinc/09/02/63/479090263.db2.gz PCQQWNDIIZCVFL-ABAIWWIYSA-N -1 0 334.372 2.971 20 5 EFBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC)C(=O)[O-] ZINC000592953223 479107531 /nfs/dbraw/zinc/10/75/31/479107531.db2.gz STRUMBASIHIBIH-VIFPVBQESA-N -1 0 326.374 2.547 20 5 EFBDRM Cc1cc(NCCc2cn3c(n2)CCCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969304 479110033 /nfs/dbraw/zinc/11/00/33/479110033.db2.gz UWSJAHGGNYWEMP-UHFFFAOYSA-N -1 0 344.371 2.789 20 5 EFBDRM Cc1cc(NCc2nnc3n2CCCCC3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967132 479110588 /nfs/dbraw/zinc/11/05/88/479110588.db2.gz QSICELOISPHEBW-UHFFFAOYSA-N -1 0 345.359 2.531 20 5 EFBDRM Cc1cc(NCCCN(C)CC(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969301 479110788 /nfs/dbraw/zinc/11/07/88/479110788.db2.gz UBMAQVDIBAJUOJ-UHFFFAOYSA-N -1 0 349.309 2.898 20 5 EFBDRM Cc1cc(N2CCc3ccc(O)cc3CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970886 479111285 /nfs/dbraw/zinc/11/12/85/479111285.db2.gz LTMNJXGHIDDGGN-UHFFFAOYSA-N -1 0 342.351 2.912 20 5 EFBDRM COc1nc(C)cc(C)c1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592970818 479111651 /nfs/dbraw/zinc/11/16/51/479111651.db2.gz BTZXYVQHPKRZHL-UHFFFAOYSA-N -1 0 345.355 2.854 20 5 EFBDRM COc1ccc2c(c1)OCC[C@@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972657 479111964 /nfs/dbraw/zinc/11/19/64/479111964.db2.gz DNMSNBBIZPRLRD-LBPRGKRZSA-N -1 0 345.311 2.632 20 5 EFBDRM Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976479 479113154 /nfs/dbraw/zinc/11/31/54/479113154.db2.gz PXPSULLAZPMXQZ-SJKOYZFVSA-N -1 0 334.372 2.733 20 5 EFBDRM Cc1cc(N[C@@H]2CCN(c3ccccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976995 479113684 /nfs/dbraw/zinc/11/36/84/479113684.db2.gz VVSWXLGGBWOTQX-GFCCVEGCSA-N -1 0 342.355 2.687 20 5 EFBDRM C[C@H](O)C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000592978874 479114693 /nfs/dbraw/zinc/11/46/93/479114693.db2.gz GCTJPWWBBQGLRR-WCQYABFASA-N -1 0 345.355 2.655 20 5 EFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000592981121 479114700 /nfs/dbraw/zinc/11/47/00/479114700.db2.gz DXBDDJXBXVXWBT-LLVKDONJSA-N -1 0 344.371 2.865 20 5 EFBDRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978919 479115561 /nfs/dbraw/zinc/11/55/61/479115561.db2.gz MRIALABGRWPQRH-NWDGAFQWSA-N -1 0 337.376 2.718 20 5 EFBDRM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584472322 479148327 /nfs/dbraw/zinc/14/83/27/479148327.db2.gz LBLBSDAWKAYHTN-MFKMUULPSA-N -1 0 337.376 2.941 20 5 EFBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000573830382 479154985 /nfs/dbraw/zinc/15/49/85/479154985.db2.gz GREJTOOYKIKEJP-WCQYABFASA-N -1 0 337.376 2.763 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2COCc3ccccc32)n1 ZINC000584532228 479168207 /nfs/dbraw/zinc/16/82/07/479168207.db2.gz DLBWLGHELQXDDP-ZDUSSCGKSA-N -1 0 329.312 2.680 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccccc3F)C2)n1 ZINC000573971257 479186284 /nfs/dbraw/zinc/18/62/84/479186284.db2.gz RANGOKGTJSANGV-SNVBAGLBSA-N -1 0 331.303 2.821 20 5 EFBDRM O=C(CC1CCN(CC(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000602127259 479192761 /nfs/dbraw/zinc/19/27/61/479192761.db2.gz SUMPXUGJGJYODH-UHFFFAOYSA-N -1 0 343.330 2.606 20 5 EFBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000610844246 479204069 /nfs/dbraw/zinc/20/40/69/479204069.db2.gz AXVALYYEQPOODV-SNVBAGLBSA-N -1 0 338.385 2.541 20 5 EFBDRM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000610845874 479204801 /nfs/dbraw/zinc/20/48/01/479204801.db2.gz CWVNBJXHSFECPN-GOSISDBHSA-N -1 0 340.335 2.559 20 5 EFBDRM O=C([O-])CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000610844542 479205375 /nfs/dbraw/zinc/20/53/75/479205375.db2.gz WTWMUVICPKWKRE-UHFFFAOYSA-N -1 0 334.353 2.889 20 5 EFBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000610845468 479205590 /nfs/dbraw/zinc/20/55/90/479205590.db2.gz LDZRCQAOALXIPY-JOYOIKCWSA-N -1 0 340.401 2.691 20 5 EFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000610878860 479220494 /nfs/dbraw/zinc/22/04/94/479220494.db2.gz PDUZORXRIFVBQL-MRXNPFEDSA-N -1 0 342.351 2.904 20 5 EFBDRM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610881888 479222382 /nfs/dbraw/zinc/22/23/82/479222382.db2.gz UKXDMQPRKKPFPR-ZDUSSCGKSA-N -1 0 344.323 2.563 20 5 EFBDRM CC(C)(C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000610892052 479224307 /nfs/dbraw/zinc/22/43/07/479224307.db2.gz NVNGJIWDXLZKHE-LBPRGKRZSA-N -1 0 334.372 2.586 20 5 EFBDRM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C12CCCC2 ZINC000610891485 479224609 /nfs/dbraw/zinc/22/46/09/479224609.db2.gz QQMARFGTWHXWPO-LSDHHAIUSA-N -1 0 334.372 2.768 20 5 EFBDRM CC(C)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000610892051 479225295 /nfs/dbraw/zinc/22/52/95/479225295.db2.gz NVNGJIWDXLZKHE-GFCCVEGCSA-N -1 0 334.372 2.586 20 5 EFBDRM CC(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000570026815 479231012 /nfs/dbraw/zinc/23/10/12/479231012.db2.gz BJTLSASQPAIXSU-NSHDSACASA-N -1 0 329.740 2.869 20 5 EFBDRM CN(CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000574281296 479255418 /nfs/dbraw/zinc/25/54/18/479255418.db2.gz SPSIYNGYBYQKGP-UHFFFAOYSA-N -1 0 349.309 2.518 20 5 EFBDRM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000574509211 479298954 /nfs/dbraw/zinc/29/89/54/479298954.db2.gz IYPXJXJWCDIDKH-JTNHKYCSSA-N -1 0 335.360 2.551 20 5 EFBDRM C[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000574858571 479359194 /nfs/dbraw/zinc/35/91/94/479359194.db2.gz ADYPKBNMKWQOSX-NEPJUHHUSA-N -1 0 335.360 2.552 20 5 EFBDRM CC(C)C[C@H](CCO)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574877976 479363400 /nfs/dbraw/zinc/36/34/00/479363400.db2.gz NQFNOBSWTDVIIS-JTQLQIEISA-N -1 0 344.795 2.728 20 5 EFBDRM COc1ccccc1[C@]1(C)C[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574880889 479364013 /nfs/dbraw/zinc/36/40/13/479364013.db2.gz RIVGSDYKHIOALU-PBHICJAKSA-N -1 0 343.339 2.839 20 5 EFBDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC000611463896 479385371 /nfs/dbraw/zinc/38/53/71/479385371.db2.gz DARPJGNQRYXRBS-AWEZNQCLSA-N -1 0 332.287 2.598 20 5 EFBDRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC000611464103 479385912 /nfs/dbraw/zinc/38/59/12/479385912.db2.gz XOWANKRYDWXKSW-AWEZNQCLSA-N -1 0 332.287 2.598 20 5 EFBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC000611463897 479386075 /nfs/dbraw/zinc/38/60/75/479386075.db2.gz DARPJGNQRYXRBS-CQSZACIVSA-N -1 0 332.287 2.598 20 5 EFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000611478685 479390275 /nfs/dbraw/zinc/39/02/75/479390275.db2.gz UMNBRUZKYRURCU-AWEZNQCLSA-N -1 0 348.399 2.877 20 5 EFBDRM Cc1nn2cccnc2c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000611484594 479391165 /nfs/dbraw/zinc/39/11/65/479391165.db2.gz ZSCJINOEOKZXJB-UHFFFAOYSA-N -1 0 347.718 2.557 20 5 EFBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000575062581 479396595 /nfs/dbraw/zinc/39/65/95/479396595.db2.gz RXYGFSHMXFSGBW-LLVKDONJSA-N -1 0 330.344 2.625 20 5 EFBDRM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535049 479408386 /nfs/dbraw/zinc/40/83/86/479408386.db2.gz IWCOUHFTFLCSNK-AWEZNQCLSA-N -1 0 344.323 2.563 20 5 EFBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000599735764 479410721 /nfs/dbraw/zinc/41/07/21/479410721.db2.gz VZBNKMNXDOHWQZ-ZNWBZCOPSA-N -1 0 328.752 2.952 20 5 EFBDRM COc1ccc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000611550640 479412196 /nfs/dbraw/zinc/41/21/96/479412196.db2.gz CUIJBHHQVDSESK-UHFFFAOYSA-N -1 0 346.339 2.590 20 5 EFBDRM CC(C)(C)C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC000593695933 479427065 /nfs/dbraw/zinc/42/70/65/479427065.db2.gz DFLQEEFWIIWOTN-NSHDSACASA-N -1 0 333.344 2.695 20 5 EFBDRM 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EFBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001606139648 1097326939 /nfs/dbraw/zinc/32/69/39/1097326939.db2.gz LAALKYYTJFQNAG-VURMDHGXSA-N -1 0 344.323 2.600 20 5 EFBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606147359 1097328102 /nfs/dbraw/zinc/32/81/02/1097328102.db2.gz VGFRTSHHPKBNHG-AWEZNQCLSA-N -1 0 342.779 2.702 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001606311636 1097373939 /nfs/dbraw/zinc/37/39/39/1097373939.db2.gz OZUZNXMKIUNRAQ-QPJJXVBHSA-N -1 0 331.284 2.580 20 5 EFBDRM COC(=O)c1cc(COc2cccc(C)c2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001606543771 1097417248 /nfs/dbraw/zinc/41/72/48/1097417248.db2.gz RATYLHNMGNOAER-UHFFFAOYSA-N -1 0 345.307 2.967 20 5 EFBDRM COC(=O)c1cc(COc2ccsc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001606543071 1097417523 /nfs/dbraw/zinc/41/75/23/1097417523.db2.gz COFSZYBMVRRART-UHFFFAOYSA-N -1 0 337.309 2.720 20 5 EFBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cccc(C(=O)[O-])c2)c1 ZINC001606605392 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1097548791 /nfs/dbraw/zinc/54/87/91/1097548791.db2.gz VYXVOJGHXHXEOV-UHFFFAOYSA-N -1 0 337.719 2.962 20 5 EFBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001607191861 1097556264 /nfs/dbraw/zinc/55/62/64/1097556264.db2.gz QTYMQCPJULAHDP-UHFFFAOYSA-N -1 0 348.311 2.604 20 5 EFBDRM COc1ccc([C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C2CC2)cn1 ZINC001607235062 1097568784 /nfs/dbraw/zinc/56/87/84/1097568784.db2.gz PDQZJZOXFBMMQK-AWEZNQCLSA-N -1 0 344.327 2.655 20 5 EFBDRM COc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001607272771 1097581054 /nfs/dbraw/zinc/58/10/54/1097581054.db2.gz BAMSJDUVRGKRJX-GFCCVEGCSA-N -1 0 339.348 2.614 20 5 EFBDRM COc1ccc(OC)c(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001607279090 1097582849 /nfs/dbraw/zinc/58/28/49/1097582849.db2.gz RWRODGKSMRDAOW-UHFFFAOYSA-N -1 0 332.312 2.922 20 5 EFBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001607305675 1097592075 /nfs/dbraw/zinc/59/20/75/1097592075.db2.gz 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CSc1cccc(C(=O)OCC2(CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC001607411183 1097623237 /nfs/dbraw/zinc/62/32/37/1097623237.db2.gz COTVWMTYXZHOJT-UHFFFAOYSA-N -1 0 325.342 2.728 20 5 EFBDRM CSc1cccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC001607411600 1097623669 /nfs/dbraw/zinc/62/36/69/1097623669.db2.gz LUGVEUZXMLLNQA-NSHDSACASA-N -1 0 340.401 2.936 20 5 EFBDRM C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001607420728 1097625336 /nfs/dbraw/zinc/62/53/36/1097625336.db2.gz AQVKYNQWQJFUDM-ZUCKAHLUSA-N -1 0 347.371 2.552 20 5 EFBDRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1[N+](=O)[O-] ZINC001607420367 1097625507 /nfs/dbraw/zinc/62/55/07/1097625507.db2.gz SAQQMIVGVKKDJB-LBWKMTJJSA-N -1 0 332.356 2.807 20 5 EFBDRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001607422013 1097626437 /nfs/dbraw/zinc/62/64/37/1097626437.db2.gz FHWXIZRNIZBIAO-SECBINFHSA-N -1 0 332.316 2.514 20 5 EFBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001607492007 1097640630 /nfs/dbraw/zinc/64/06/30/1097640630.db2.gz AKPOWLIRFMKQEF-VIFPVBQESA-N -1 0 331.328 2.729 20 5 EFBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC001607495693 1097642137 /nfs/dbraw/zinc/64/21/37/1097642137.db2.gz RCGVVVJOYMHIMY-UHFFFAOYSA-N -1 0 338.703 2.845 20 5 EFBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC001607526847 1097651867 /nfs/dbraw/zinc/65/18/67/1097651867.db2.gz RKSNYFPKEISHCF-INIZCTEOSA-N -1 0 346.314 2.527 20 5 EFBDRM Cc1c(NC(=O)Cc2ccn(C(C)C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541255 1097656555 /nfs/dbraw/zinc/65/65/55/1097656555.db2.gz PBAJCPRBTZTOOO-UHFFFAOYSA-N -1 0 346.343 2.560 20 5 EFBDRM Cc1c(NC(=O)COc2ccc(F)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607540881 1097656564 /nfs/dbraw/zinc/65/65/64/1097656564.db2.gz OJHWGJXEGVNGRE-UHFFFAOYSA-N -1 0 348.286 2.758 20 5 EFBDRM Cc1c(NC(=O)N2CC[C@H](C3CC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545086 1097657280 /nfs/dbraw/zinc/65/72/80/1097657280.db2.gz ZIOZGVFATHQNSJ-NSHDSACASA-N -1 0 333.344 2.865 20 5 EFBDRM Cc1c(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607547778 1097658085 /nfs/dbraw/zinc/65/80/85/1097658085.db2.gz WIBMXKDUSGGDKX-DVOKIVJVSA-N -1 0 330.340 2.832 20 5 EFBDRM Cc1c(NCC(=O)NCCC(C)(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607549174 1097659320 /nfs/dbraw/zinc/65/93/20/1097659320.db2.gz NFQOBNPYYMBLSX-UHFFFAOYSA-N -1 0 337.376 2.566 20 5 EFBDRM Cc1c(NC(=O)c2nc3c(s2)CCC3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607551170 1097659407 /nfs/dbraw/zinc/65/94/07/1097659407.db2.gz DHIWJIZZJWYSHE-UHFFFAOYSA-N -1 0 347.352 2.799 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3ccncc3)C2)n1 ZINC001607589002 1097667780 /nfs/dbraw/zinc/66/77/80/1097667780.db2.gz KFCAASFYQVVGHY-CYBMUJFWSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCc2ccc(Cl)nc2)n1 ZINC001607589621 1097668771 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Cc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001607826717 1097744978 /nfs/dbraw/zinc/74/49/78/1097744978.db2.gz ZWILFIJVHPNZFX-UHFFFAOYSA-N -1 0 345.307 2.837 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001607826181 1097744983 /nfs/dbraw/zinc/74/49/83/1097744983.db2.gz FAYMWJNABDNGJM-UHFFFAOYSA-N -1 0 349.368 2.974 20 5 EFBDRM Cc1cccc(F)c1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607855499 1097755543 /nfs/dbraw/zinc/75/55/43/1097755543.db2.gz ZTQNFKJFCVDGNY-UHFFFAOYSA-N -1 0 348.330 2.796 20 5 EFBDRM Cc1cccc(OCc2cn3cccc(C(=O)[O-])c3n2)c1[N+](=O)[O-] ZINC001607862413 1097758073 /nfs/dbraw/zinc/75/80/73/1097758073.db2.gz PLLJIFXBLZQDIB-UHFFFAOYSA-N -1 0 327.296 2.828 20 5 EFBDRM Cc1ccccc1[C@@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001607874739 1097763179 /nfs/dbraw/zinc/76/31/79/1097763179.db2.gz IKADBJDLBONNGD-INIZCTEOSA-N -1 0 330.340 2.676 20 5 EFBDRM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607886993 1097767670 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346.314 2.550 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001602120745 1096075331 /nfs/dbraw/zinc/07/53/31/1096075331.db2.gz JPNHFDKYZUOLRC-AWEZNQCLSA-N -1 0 326.299 2.848 20 5 EFBDRM O=C([O-])Cc1ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001602126711 1096078823 /nfs/dbraw/zinc/07/88/23/1096078823.db2.gz MWDRSFVNUWBFBB-DYVFJYSZSA-N -1 0 334.372 2.839 20 5 EFBDRM O=C([O-])Cc1ccc(N[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001602126810 1096079967 /nfs/dbraw/zinc/07/99/67/1096079967.db2.gz RWPRUKRHRFJKPQ-GFCCVEGCSA-N -1 0 328.324 2.507 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)C1 ZINC001602180342 1096105282 /nfs/dbraw/zinc/10/52/82/1096105282.db2.gz SCVYUYKGGSGPBK-VHSXEESVSA-N -1 0 333.300 2.525 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC001602189763 1096110412 /nfs/dbraw/zinc/11/04/12/1096110412.db2.gz MEXDPFAKACAGFL-UONOGXRCSA-N -1 0 346.314 2.744 20 5 EFBDRM 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349.270 2.878 20 5 EFBDRM O=C([O-])c1ccc(OCc2ccc3nccnc3c2)c([N+](=O)[O-])c1 ZINC001602391307 1096220556 /nfs/dbraw/zinc/22/05/56/1096220556.db2.gz HZTCQIVFXYMNLA-UHFFFAOYSA-N -1 0 325.280 2.815 20 5 EFBDRM O=C([O-])c1ccc(OCc2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC001602392676 1096221196 /nfs/dbraw/zinc/22/11/96/1096221196.db2.gz YNVUYQXEGRCTKQ-UHFFFAOYSA-N -1 0 331.240 2.515 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC001602403362 1096224124 /nfs/dbraw/zinc/22/41/24/1096224124.db2.gz FPIORZCTFRTHMI-UHFFFAOYSA-N -1 0 348.742 2.654 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](CO)c2ccc(F)cc2)c1 ZINC001602405071 1096225031 /nfs/dbraw/zinc/22/50/31/1096225031.db2.gz JZYDVABOBGKYHW-LBPRGKRZSA-N -1 0 334.303 2.620 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2nc3ccccc3s2)n1 ZINC001602405912 1096225218 /nfs/dbraw/zinc/22/52/18/1096225218.db2.gz VSAOSJOXVNIDJP-UHFFFAOYSA-N -1 0 344.352 2.952 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc(-c3cnco3)c2)n1 ZINC001602405732 1096225307 /nfs/dbraw/zinc/22/53/07/1096225307.db2.gz ISNWUBIPLMDXSD-UHFFFAOYSA-N -1 0 340.295 2.955 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccc3ccc(=O)oc3c2)n1 ZINC001602407930 1096227041 /nfs/dbraw/zinc/22/70/41/1096227041.db2.gz JRVGRONXLUMHIW-UHFFFAOYSA-N -1 0 328.236 2.587 20 5 EFBDRM O=C([O-])c1ccc2c(c1)CN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001602422053 1096235775 /nfs/dbraw/zinc/23/57/75/1096235775.db2.gz HNEMYVABEOPWBY-UHFFFAOYSA-N -1 0 329.268 2.721 20 5 EFBDRM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC001602423148 1096236654 /nfs/dbraw/zinc/23/66/54/1096236654.db2.gz NJFJKVKJMKRDNG-UHFFFAOYSA-N -1 0 340.335 2.815 20 5 EFBDRM O=C([O-])c1cccc(-c2nc(Cn3ccnc3[N+](=O)[O-])cs2)c1 ZINC001602430027 1096241200 /nfs/dbraw/zinc/24/12/00/1096241200.db2.gz DUOQFXGXIIJKPQ-UHFFFAOYSA-N -1 0 330.325 2.661 20 5 EFBDRM O=C([O-])c1cccc(Cl)c1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC001602443213 1096248548 /nfs/dbraw/zinc/24/85/48/1096248548.db2.gz ZOIGXSIPWGAGAT-UHFFFAOYSA-N -1 0 343.122 2.810 20 5 EFBDRM O=C([O-])c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001602445668 1096248834 /nfs/dbraw/zinc/24/88/34/1096248834.db2.gz ORJDCFOJUAPUGD-UHFFFAOYSA-N -1 0 327.252 2.687 20 5 EFBDRM O=C([O-])c1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1O ZINC001602445951 1096249508 /nfs/dbraw/zinc/24/95/08/1096249508.db2.gz CRXHISUXILRYBF-UHFFFAOYSA-N -1 0 341.279 2.732 20 5 EFBDRM O=C([O-])c1cccc(OCC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC001602448776 1096249788 /nfs/dbraw/zinc/24/97/88/1096249788.db2.gz VNHPDBZRLMYGNI-UHFFFAOYSA-N -1 0 337.328 2.605 20 5 EFBDRM O=C([O-])c1cccc(OCCOC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001602448199 1096249819 /nfs/dbraw/zinc/24/98/19/1096249819.db2.gz MFAVHSYVAOUFQA-UHFFFAOYSA-N -1 0 349.270 2.668 20 5 EFBDRM O=C([O-])c1cccc(OCc2cnc3ccccc3n2)c1[N+](=O)[O-] ZINC001602450030 1096251380 /nfs/dbraw/zinc/25/13/80/1096251380.db2.gz GXJSKPYSISCCKO-UHFFFAOYSA-N -1 0 325.280 2.815 20 5 EFBDRM O=C([O-])c1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001602458853 1096256519 /nfs/dbraw/zinc/25/65/19/1096256519.db2.gz CTXJUZATLZBSJA-UHFFFAOYSA-N -1 0 344.298 2.631 20 5 EFBDRM O=C([O-])c1ccccc1CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001602467383 1096262873 /nfs/dbraw/zinc/26/28/73/1096262873.db2.gz FVYLXZIYCCJAFA-UHFFFAOYSA-N -1 0 342.351 2.576 20 5 EFBDRM O=C([O-])c1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001602471673 1096263457 /nfs/dbraw/zinc/26/34/57/1096263457.db2.gz MSCOPJSIUGWNAJ-UHFFFAOYSA-N -1 0 340.295 2.955 20 5 EFBDRM O=C([O-])c1ccnc(N2CCC(Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001602480374 1096266667 /nfs/dbraw/zinc/26/66/67/1096266667.db2.gz RDAFWWAVOUFKJO-UHFFFAOYSA-N -1 0 342.355 2.769 20 5 EFBDRM O=C([O-])c1ccnc(NCc2nc(-c3cccs3)c[nH]2)c1[N+](=O)[O-] ZINC001602483341 1096268249 /nfs/dbraw/zinc/26/82/49/1096268249.db2.gz LAYXWDUARKUKSR-UHFFFAOYSA-N -1 0 345.340 2.752 20 5 EFBDRM O=C([O-])c1ccoc1COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001602487140 1096270626 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20 5 EFBDRM O=C([O-])c1coc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)c1 ZINC001602550047 1096294058 /nfs/dbraw/zinc/29/40/58/1096294058.db2.gz NAPKCZZTIAQEJH-UHFFFAOYSA-N -1 0 344.283 2.591 20 5 EFBDRM O=C([O-])c1coc(-c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)c1 ZINC001602549969 1096294127 /nfs/dbraw/zinc/29/41/27/1096294127.db2.gz JTQTURBXXQVVRU-UHFFFAOYSA-N -1 0 333.231 2.666 20 5 EFBDRM O=C([O-])c1coc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001602549756 1096294194 /nfs/dbraw/zinc/29/41/94/1096294194.db2.gz ZKZNHGPGXAAHAD-UHFFFAOYSA-N -1 0 338.703 2.512 20 5 EFBDRM O=C([O-])c1coc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)c1 ZINC001602549876 1096294408 /nfs/dbraw/zinc/29/44/08/1096294408.db2.gz FJPXGLCRJPTDDS-UHFFFAOYSA-N -1 0 330.256 2.548 20 5 EFBDRM O=C([O-])c1csc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001602562172 1096299917 /nfs/dbraw/zinc/29/99/17/1096299917.db2.gz RLBRJTLAEXBRGK-UHFFFAOYSA-N -1 0 332.341 2.521 20 5 EFBDRM O=C([O-])[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001602598484 1096314722 /nfs/dbraw/zinc/31/47/22/1096314722.db2.gz MOXPJWBPJFKLCQ-SNVBAGLBSA-N -1 0 333.218 2.634 20 5 EFBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001602605297 1096319368 /nfs/dbraw/zinc/31/93/68/1096319368.db2.gz CTSFXZXEEMOORT-CQSZACIVSA-N -1 0 333.271 2.587 20 5 EFBDRM C/C(=C\C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001602951798 1096405108 /nfs/dbraw/zinc/40/51/08/1096405108.db2.gz ZRPVNPGDNVFZQM-IIANPFDCSA-N -1 0 332.356 2.852 20 5 EFBDRM C/C(=C/COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-] ZINC001602980079 1096414848 /nfs/dbraw/zinc/41/48/48/1096414848.db2.gz UYOFQSGYKAYUOJ-LUAWRHEFSA-N -1 0 337.331 2.869 20 5 EFBDRM C[C@H](C(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001603031200 1096420764 /nfs/dbraw/zinc/42/07/64/1096420764.db2.gz BPUGDLRQDQTFLX-QMMMGPOBSA-N -1 0 344.356 2.579 20 5 EFBDRM CC(=O)Nc1ccc(Oc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(F)c1 ZINC001603074989 1096434204 /nfs/dbraw/zinc/43/42/04/1096434204.db2.gz YPINQNQYIBEBSP-UHFFFAOYSA-N -1 0 335.247 2.578 20 5 EFBDRM CC(=O)Nc1ccccc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603083781 1096437401 /nfs/dbraw/zinc/43/74/01/1096437401.db2.gz LVLAMEKMVOPJPW-UHFFFAOYSA-N -1 0 330.296 2.830 20 5 EFBDRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603154024 1096462249 /nfs/dbraw/zinc/46/22/49/1096462249.db2.gz WDYLCMTUROZVDZ-FVMDXXJSSA-N -1 0 338.335 2.597 20 5 EFBDRM C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192119 1096470221 /nfs/dbraw/zinc/47/02/21/1096470221.db2.gz YXZGVYUKKQBJQK-BDJLRTHQSA-N -1 0 330.340 2.852 20 5 EFBDRM C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC001603195599 1096470392 /nfs/dbraw/zinc/47/03/92/1096470392.db2.gz IOMAESUIGNDVRW-VIFPVBQESA-N -1 0 340.763 2.645 20 5 EFBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001603218488 1096476232 /nfs/dbraw/zinc/47/62/32/1096476232.db2.gz TXQGGAPFQKVEEB-SECBINFHSA-N -1 0 329.312 2.617 20 5 EFBDRM CC(C)C[C@H]1C[C@H](Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 ZINC001603272487 1096491507 /nfs/dbraw/zinc/49/15/07/1096491507.db2.gz QEQXCLKFZONQNK-NEPJUHHUSA-N -1 0 346.391 2.781 20 5 EFBDRM CC(C)(C)C(=O)CCCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603295518 1096497419 /nfs/dbraw/zinc/49/74/19/1096497419.db2.gz APUIPNHFXYCLOK-UHFFFAOYSA-N -1 0 337.328 2.984 20 5 EFBDRM CC(C)(C)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001603326815 1096505533 /nfs/dbraw/zinc/50/55/33/1096505533.db2.gz LZTRVFYZRBEHSV-NSHDSACASA-N -1 0 334.328 2.960 20 5 EFBDRM CC(C)(CCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[N+](=O)[O-] ZINC001603593058 1096563042 /nfs/dbraw/zinc/56/30/42/1096563042.db2.gz AWUQYSZNAMBVJM-UHFFFAOYSA-N -1 0 338.360 2.704 20 5 EFBDRM CC(C)(NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc([N+](=O)[O-])cc1 ZINC001603671899 1096586764 /nfs/dbraw/zinc/58/67/64/1096586764.db2.gz ROLKRSVJSOGQLC-BQYQJAHWSA-N -1 0 344.323 2.951 20 5 EFBDRM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001603996328 1096691185 /nfs/dbraw/zinc/69/11/85/1096691185.db2.gz BLYDEKLYWKDTPH-DGCLKSJQSA-N -1 0 334.372 2.901 20 5 EFBDRM C[C@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001604090206 1096729059 /nfs/dbraw/zinc/72/90/59/1096729059.db2.gz KAEXWMZTSJOYCW-MRXNPFEDSA-N -1 0 333.319 2.609 20 5 EFBDRM C[C@@H](CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC001604123485 1096744422 /nfs/dbraw/zinc/74/44/22/1096744422.db2.gz VTHKHUVILGEEND-ZETCQYMHSA-N -1 0 335.234 2.925 20 5 EFBDRM C[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001604174771 1096761500 /nfs/dbraw/zinc/76/15/00/1096761500.db2.gz YODIJUFJBFDDPP-LBPRGKRZSA-N -1 0 342.351 2.755 20 5 EFBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC001604190326 1096768919 /nfs/dbraw/zinc/76/89/19/1096768919.db2.gz JGCIPXPLJOTQDK-LLVKDONJSA-N -1 0 342.355 2.551 20 5 EFBDRM CC(C)(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001604271560 1096791561 /nfs/dbraw/zinc/79/15/61/1096791561.db2.gz SBOLJLAIDOHJPK-QGZVFWFLSA-N -1 0 334.372 2.837 20 5 EFBDRM C[C@@](NC(=O)/C=C\c1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604269316 1096791640 /nfs/dbraw/zinc/79/16/40/1096791640.db2.gz OQLUGVZXGWIIEA-LENZSSGSSA-N -1 0 340.335 2.724 20 5 EFBDRM C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604312469 1096803455 /nfs/dbraw/zinc/80/34/55/1096803455.db2.gz CCYZCRZUZSVJAX-WFASDCNBSA-N -1 0 342.351 2.657 20 5 EFBDRM C[C@H](NC(=O)c1ccc(NC[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604314941 1096803574 /nfs/dbraw/zinc/80/35/74/1096803574.db2.gz PWVYWVIOJCOSNM-GMXVVIOVSA-N -1 0 349.387 2.646 20 5 EFBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604313023 1096804086 /nfs/dbraw/zinc/80/40/86/1096804086.db2.gz DTDSVXFVVLVTHB-MLGOLLRUSA-N -1 0 342.351 2.657 20 5 EFBDRM C[C@](NCc1nc2c(s1)CCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604348307 1096823221 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336.687 2.869 20 5 EFBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001607984426 1097797603 /nfs/dbraw/zinc/79/76/03/1097797603.db2.gz GZHHBHKWRCGREZ-UHFFFAOYSA-N -1 0 348.340 2.583 20 5 EFBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001607984887 1097797652 /nfs/dbraw/zinc/79/76/52/1097797652.db2.gz NXMAQWALKRGMTR-UHFFFAOYSA-N -1 0 341.323 2.589 20 5 EFBDRM Cc1nn(CCOc2ccccc2[N+](=O)[O-])c(C)c1[C@H](C)C(=O)[O-] ZINC001608011987 1097804301 /nfs/dbraw/zinc/80/43/01/1097804301.db2.gz SJWCIRXUHMUVBO-JTQLQIEISA-N -1 0 333.344 2.675 20 5 EFBDRM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001608024332 1097807573 /nfs/dbraw/zinc/80/75/73/1097807573.db2.gz UROFTSFTFJGTRB-UHFFFAOYSA-N -1 0 347.327 2.814 20 5 EFBDRM Cc1sc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC001608059559 1097820712 /nfs/dbraw/zinc/82/07/12/1097820712.db2.gz NVLCHUYHJYQWIJ-UHFFFAOYSA-N -1 0 326.374 2.730 20 5 EFBDRM Cn1c(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1C(F)F 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2.509 20 5 EFBDRM COC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)OC)c1 ZINC001210397494 1314326175 /nfs/dbraw/zinc/32/61/75/1314326175.db2.gz CQBRSYDNSBUPJH-UHFFFAOYSA-N -1 0 346.295 2.617 20 5 EFBDRM Nc1ccc2c(c1)c(Br)nn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399765 1314326618 /nfs/dbraw/zinc/32/66/18/1314326618.db2.gz ZZUJDEKQUZBHPO-UHFFFAOYSA-N -1 0 349.144 2.984 20 5 EFBDRM CS(=O)(=O)c1cc(F)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398165 1314326747 /nfs/dbraw/zinc/32/67/47/1314326747.db2.gz TUUVTYGFHYKPEI-UHFFFAOYSA-N -1 0 326.305 2.587 20 5 EFBDRM COC(=O)c1c(OC)ccc(OC)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399026 1314326787 /nfs/dbraw/zinc/32/67/87/1314326787.db2.gz LXAUGTZUZCABGC-UHFFFAOYSA-N -1 0 348.311 2.848 20 5 EFBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000801562937 1310531011 /nfs/dbraw/zinc/53/10/11/1310531011.db2.gz IIMFZGRKPBOMGG-UHFFFAOYSA-N -1 0 345.311 2.523 20 5 EFBDRM O=[N+]([O-])c1cc(F)ccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001210953206 1314415367 /nfs/dbraw/zinc/41/53/67/1314415367.db2.gz VWJFZSXJTHCUND-UHFFFAOYSA-N -1 0 341.262 2.570 20 5 EFBDRM CO[C@@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2C1 ZINC000753050050 1311163445 /nfs/dbraw/zinc/16/34/45/1311163445.db2.gz UZXBCSAKIZZCMJ-CQSZACIVSA-N -1 0 328.324 2.666 20 5 EFBDRM COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000753779962 1311178813 /nfs/dbraw/zinc/17/88/13/1311178813.db2.gz JZRIZNNAOBICNN-UHFFFAOYSA-N -1 0 334.303 2.720 20 5 EFBDRM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490411 1311531332 /nfs/dbraw/zinc/53/13/32/1311531332.db2.gz HSTSCADPYHODIJ-AWEZNQCLSA-N -1 0 345.355 2.642 20 5 EFBDRM O=[N+]([O-])c1ccc([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225492627 1311531696 /nfs/dbraw/zinc/53/16/96/1311531696.db2.gz YLZVLCLYYKGPPQ-INIZCTEOSA-N -1 0 344.367 2.580 20 5 EFBDRM CCOC(=O)[C@H](C)[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225623569 1311555605 /nfs/dbraw/zinc/55/56/05/1311555605.db2.gz PYPKJXQSDHWHJV-RDDDGLTNSA-N -1 0 337.250 2.809 20 5 EFBDRM O=[N+]([O-])C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1cccnc1 ZINC001225879917 1311585369 /nfs/dbraw/zinc/58/53/69/1311585369.db2.gz PJVYUOWARNFXIM-ZETCQYMHSA-N -1 0 332.209 2.740 20 5 EFBDRM CCCCC[C@H](C)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226016017 1311601281 /nfs/dbraw/zinc/60/12/81/1311601281.db2.gz QTNRQDNCEHQBKW-VIFPVBQESA-N -1 0 327.337 2.615 20 5 EFBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)CC[C@@H](C)CC)c1[N+](=O)[O-] ZINC001226019911 1311602257 /nfs/dbraw/zinc/60/22/57/1311602257.db2.gz FNKSCYNJSBTPAG-VHSXEESVSA-N -1 0 341.364 2.861 20 5 EFBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001226021121 1311602345 /nfs/dbraw/zinc/60/23/45/1311602345.db2.gz NUYJBHXHBFUYQX-VIFPVBQESA-N -1 0 339.348 2.615 20 5 EFBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)CC[C@H](C)CC)c1[N+](=O)[O-] ZINC001226019907 1311602406 /nfs/dbraw/zinc/60/24/06/1311602406.db2.gz FNKSCYNJSBTPAG-NXEZZACHSA-N -1 0 341.364 2.861 20 5 EFBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC001226022547 1311602461 /nfs/dbraw/zinc/60/24/61/1311602461.db2.gz YNFLNTHIPBQZRM-JTQLQIEISA-N -1 0 341.364 2.861 20 5 EFBDRM O=c1ncc([N+](=O)[O-])c(O[C@H](c2ccccc2)C2CCOCC2)[n-]1 ZINC001226335691 1311651019 /nfs/dbraw/zinc/65/10/19/1311651019.db2.gz KRTUULXJRDLXIY-CQSZACIVSA-N -1 0 331.328 2.637 20 5 EFBDRM Cc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c(=O)[n-]1 ZINC001226425475 1311665833 /nfs/dbraw/zinc/66/58/33/1311665833.db2.gz WYMRFANMCZICFO-UHFFFAOYSA-N -1 0 348.334 2.586 20 5 EFBDRM C[NH+]1CCC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CC1 ZINC001227307288 1311791568 /nfs/dbraw/zinc/79/15/68/1311791568.db2.gz VBCGOKSNTJNZBV-UHFFFAOYSA-N -1 0 341.363 2.830 20 5 EFBDRM O=C([O-])CCC(=O)CNc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001160876314 1311801225 /nfs/dbraw/zinc/80/12/25/1311801225.db2.gz IVMTYYOUEIBPOG-UHFFFAOYSA-N -1 0 337.719 2.642 20 5 EFBDRM COc1ccc([C@@H](C)Oc2nc(SC)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001227625128 1311832654 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327.340 2.904 20 5 EFBDRM O=c1[n-]c(C2CC2)nc(OC[C@H]2CCc3ccccc3O2)c1[N+](=O)[O-] ZINC001228605715 1311969063 /nfs/dbraw/zinc/96/90/63/1311969063.db2.gz LMFWSAVQIJFWNT-GFCCVEGCSA-N -1 0 343.339 2.740 20 5 EFBDRM O=c1[n-]c(C2CC2)nc(O[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001228604860 1311969255 /nfs/dbraw/zinc/96/92/55/1311969255.db2.gz XFPNIKTXMOCYIY-GFCCVEGCSA-N -1 0 329.312 2.870 20 5 EFBDRM C[C@@H](COc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001228610366 1311969696 /nfs/dbraw/zinc/96/96/96/1311969696.db2.gz TXWWINXLERQCDJ-JTQLQIEISA-N -1 0 331.328 2.814 20 5 EFBDRM Cc1cnc(F)c([C@@H](C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001228610182 1311969993 /nfs/dbraw/zinc/96/99/93/1311969993.db2.gz QWVCQIPIVISLNH-MRVPVSSYSA-N -1 0 334.307 2.950 20 5 EFBDRM Cc1cc2nc3nc(=O)[n-]c(OC[C@H]4CCCCO4)c3nc2cc1C ZINC001228687457 1311982426 /nfs/dbraw/zinc/98/24/26/1311982426.db2.gz XFFKSCCORWDBMG-GFCCVEGCSA-N -1 0 340.383 2.843 20 5 EFBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CCCCC4=O)c3nc2cc1C 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C/C(=C\C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001588479988 958581965 /nfs/dbraw/zinc/58/19/65/958581965.db2.gz KEURSPWECXTSFQ-VAWYXSNFSA-N -1 0 332.356 2.711 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594377584 958605385 /nfs/dbraw/zinc/60/53/85/958605385.db2.gz GDDSQDVCJWNMJE-UKRRQHHQSA-N -1 0 340.335 2.946 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001594377832 958607300 /nfs/dbraw/zinc/60/73/00/958607300.db2.gz JKQFZZKLSYXPAG-CQSZACIVSA-N -1 0 342.351 2.637 20 5 EFBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588487849 958627772 /nfs/dbraw/zinc/62/77/72/958627772.db2.gz LCRCHJSNRBHPHE-QXMHVHEDSA-N -1 0 332.356 2.711 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001573425538 958788232 /nfs/dbraw/zinc/78/82/32/958788232.db2.gz RWPVNGGNLLZSEX-ZIAGYGMSSA-N -1 0 334.372 2.658 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594409939 958942096 /nfs/dbraw/zinc/94/20/96/958942096.db2.gz RMDXFPLPXCKSTO-SFHVURJKSA-N -1 0 342.351 2.676 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594410103 958944338 /nfs/dbraw/zinc/94/43/38/958944338.db2.gz YUKNLKLKVKYJNF-UONOGXRCSA-N -1 0 340.335 2.946 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594193238 959175622 /nfs/dbraw/zinc/17/56/22/959175622.db2.gz OWTQUEHKAGYEMG-UHFFFAOYSA-N -1 0 333.325 2.662 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC001594193840 959182402 /nfs/dbraw/zinc/18/24/02/959182402.db2.gz YLIAFNRGWVFUAC-UHFFFAOYSA-N -1 0 326.374 2.547 20 5 EFBDRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001594200791 959249342 /nfs/dbraw/zinc/24/93/42/959249342.db2.gz NGARGAJJQVBHDD-TTZKWOQHSA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001594215759 959325806 /nfs/dbraw/zinc/32/58/06/959325806.db2.gz UUXIRVZTDAOEDC-LDYMZIIASA-N -1 0 326.736 2.716 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001594215847 959327684 /nfs/dbraw/zinc/32/76/84/959327684.db2.gz XGUAPGWDAPHVKI-NOZJJQNGSA-N -1 0 340.763 2.645 20 5 EFBDRM C[C@@H]([C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607132 959484562 /nfs/dbraw/zinc/48/45/62/959484562.db2.gz PTBSYWUKIIMKSV-KZWBYHQPSA-N -1 0 339.319 2.576 20 5 EFBDRM C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001594238362 959518188 /nfs/dbraw/zinc/51/81/88/959518188.db2.gz YFSNKZDLEFSYMP-VIFPVBQESA-N -1 0 330.300 2.571 20 5 EFBDRM CC(C)(C(=O)[O-])n1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001588626222 959580009 /nfs/dbraw/zinc/58/00/09/959580009.db2.gz YIKLONUAWNJSFX-UHFFFAOYSA-N -1 0 338.751 2.877 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001573645482 959635723 /nfs/dbraw/zinc/63/57/23/959635723.db2.gz 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001573809568 960871758 /nfs/dbraw/zinc/87/17/58/960871758.db2.gz OXWITGICNUJXFH-CXAGYDPISA-N -1 0 334.372 2.629 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001574381941 961109157 /nfs/dbraw/zinc/10/91/57/961109157.db2.gz JKQFZZKLSYXPAG-AWEZNQCLSA-N -1 0 342.351 2.637 20 5 EFBDRM CC(C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC001588786744 961348384 /nfs/dbraw/zinc/34/83/84/961348384.db2.gz LEZGKLKQHDJXAF-CSKARUKUSA-N -1 0 344.323 2.951 20 5 EFBDRM CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)cc1C ZINC001573903288 961437205 /nfs/dbraw/zinc/43/72/05/961437205.db2.gz NIIZMBITURPIJE-LBPRGKRZSA-N -1 0 338.360 2.849 20 5 EFBDRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001588803103 961437882 /nfs/dbraw/zinc/43/78/82/961437882.db2.gz MLQBUDCFPKFMMZ-UKRRQHHQSA-N -1 0 334.372 2.658 20 5 EFBDRM CCOc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001573920186 961526346 /nfs/dbraw/zinc/52/63/46/961526346.db2.gz IFMXQLMWLKYMPM-UHFFFAOYSA-N -1 0 344.323 2.622 20 5 EFBDRM CC(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001588829566 961686693 /nfs/dbraw/zinc/68/66/93/961686693.db2.gz JLJDQSCHDQLUGC-VIFPVBQESA-N -1 0 349.170 2.988 20 5 EFBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574015964 961947342 /nfs/dbraw/zinc/94/73/42/961947342.db2.gz QZXALOSLUYWBCE-CLFYSBASSA-N -1 0 344.323 2.600 20 5 EFBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC001574562911 962021501 /nfs/dbraw/zinc/02/15/01/962021501.db2.gz WYZJKZAXCGGFMA-UHFFFAOYSA-N -1 0 346.261 2.598 20 5 EFBDRM O=C([O-])[C@H](C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001574621934 962257206 /nfs/dbraw/zinc/25/72/06/962257206.db2.gz VBSQCMPTEWHAGD-AWEZNQCLSA-N -1 0 343.339 2.973 20 5 EFBDRM O=C([O-])[C@H]1C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)c2ccccc21 ZINC001574650059 962419173 /nfs/dbraw/zinc/41/91/73/962419173.db2.gz 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O=C([O-])c1nccc(Oc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000313166725 963621570 /nfs/dbraw/zinc/62/15/70/963621570.db2.gz UBNVXDCBMDMAHM-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000693445210 968933923 /nfs/dbraw/zinc/93/39/23/968933923.db2.gz HKSRGVALIWIWHI-PSASIEDQSA-N -1 0 343.177 2.904 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001346506277 969764507 /nfs/dbraw/zinc/76/45/07/969764507.db2.gz PUIRQLOUFIOHFH-JIMOISOXSA-N -1 0 349.387 2.502 20 5 EFBDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1F ZINC001609696336 970457003 /nfs/dbraw/zinc/45/70/03/970457003.db2.gz OTWLMWXYKPPJRO-SNVBAGLBSA-N -1 0 346.314 2.852 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001605833891 972570218 /nfs/dbraw/zinc/57/02/18/972570218.db2.gz HQOZMPSYPZRKNN-XCBNKYQSSA-N -1 0 346.261 2.597 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 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ZINC001594307373 957980571 /nfs/dbraw/zinc/98/05/71/957980571.db2.gz MZNVYLWGQZJCJF-UHFFFAOYSA-N -1 0 341.751 2.885 20 5 EFBDRM Cc1cc(Cl)c(C(=O)Nc2cccnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594307381 957981230 /nfs/dbraw/zinc/98/12/30/957981230.db2.gz NPSCBQNISVZQRS-UHFFFAOYSA-N -1 0 335.703 2.902 20 5 EFBDRM Cc1cc(Cl)c(C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC001594307631 957982902 /nfs/dbraw/zinc/98/29/02/957982902.db2.gz PTYVIQYWVURVON-JTQLQIEISA-N -1 0 328.752 2.643 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594307679 957983236 /nfs/dbraw/zinc/98/32/36/957983236.db2.gz TYJNTKJWWOFGBA-OCAPTIKFSA-N -1 0 327.724 2.541 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594308188 957989336 /nfs/dbraw/zinc/98/93/36/957989336.db2.gz PRJVYZIZGLGFGD-JTQLQIEISA-N -1 0 328.752 2.786 20 5 EFBDRM COc1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001594061958 958098063 /nfs/dbraw/zinc/09/80/63/958098063.db2.gz 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Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594349884 958341233 /nfs/dbraw/zinc/34/12/33/958341233.db2.gz PKQVIPYICLKGBY-UHTWSYAYSA-N -1 0 335.360 2.517 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594112741 958533332 /nfs/dbraw/zinc/53/33/32/958533332.db2.gz NRKUNMIXMUEQOF-DAXSKMNVSA-N -1 0 332.268 2.547 20 5 EFBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](CC(C)C)C(=O)[O-])c2c1 ZINC001594117718 958566792 /nfs/dbraw/zinc/56/67/92/958566792.db2.gz VPBBJRATKLLKFC-NSHDSACASA-N -1 0 347.371 2.732 20 5 EFBDRM C[C@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001573362322 958596068 /nfs/dbraw/zinc/59/60/68/958596068.db2.gz DGSXOCITHLHURA-QMMMGPOBSA-N -1 0 333.275 2.569 20 5 EFBDRM C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001573362736 958602189 /nfs/dbraw/zinc/60/21/89/958602189.db2.gz GCWCISLRWXPYCF-QMMMGPOBSA-N -1 0 333.275 2.569 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594377534 958605264 /nfs/dbraw/zinc/60/52/64/958605264.db2.gz AIMPOWIHSWTHFU-ZDUSSCGKSA-N -1 0 334.372 2.929 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001594378250 958608620 /nfs/dbraw/zinc/60/86/20/958608620.db2.gz SYFROEFOEYTKEG-OAHLLOKOSA-N -1 0 346.314 2.906 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594378001 958609011 /nfs/dbraw/zinc/60/90/11/958609011.db2.gz OPWYYLJYAGGMFJ-UHFFFAOYSA-N -1 0 334.372 2.929 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594381374 958626027 /nfs/dbraw/zinc/62/60/27/958626027.db2.gz VWQCOKLWFJZWCL-UHFFFAOYSA-N -1 0 331.280 2.586 20 5 EFBDRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001594390871 958718066 /nfs/dbraw/zinc/71/80/66/958718066.db2.gz IJHUMQIAAVEBIP-UHFFFAOYSA-N -1 0 332.287 2.922 20 5 EFBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001605743425 972387799 /nfs/dbraw/zinc/38/77/99/972387799.db2.gz KPFDDEACRVAAAD-WCQYABFASA-N -1 0 344.298 2.777 20 5 EFBDRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001588557444 959068115 /nfs/dbraw/zinc/06/81/15/959068115.db2.gz HHUPDGGXPYWQQQ-MRVPVSSYSA-N -1 0 333.275 2.569 20 5 EFBDRM CC(C)C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001573537046 959179450 /nfs/dbraw/zinc/17/94/50/959179450.db2.gz PKKCWXCVJMEEQU-LBPRGKRZSA-N -1 0 342.779 2.796 20 5 EFBDRM C[C@](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC001603250583 972421221 /nfs/dbraw/zinc/42/12/21/972421221.db2.gz GDQYCCALVKGDSJ-QGZVFWFLSA-N -1 0 340.339 2.561 20 5 EFBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594220360 959367987 /nfs/dbraw/zinc/36/79/87/959367987.db2.gz XSNFORRJLHYBIQ-HZGVNTEJSA-N -1 0 349.206 2.856 20 5 EFBDRM C[C@@](CNC(=O)c1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001573600164 959431999 /nfs/dbraw/zinc/43/19/99/959431999.db2.gz JHGBJQPVIZDGQF-KRWDZBQOSA-N -1 0 346.314 2.506 20 5 EFBDRM C[C@@H](C(=O)[O-])c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC001588604031 959463815 /nfs/dbraw/zinc/46/38/15/959463815.db2.gz YISLVSRPHYNLFE-LLVKDONJSA-N -1 0 349.346 2.774 20 5 EFBDRM C[C@@H](C(=O)[O-])c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001588604659 959469251 /nfs/dbraw/zinc/46/92/51/959469251.db2.gz WWGZLPUSYDQIGP-SSDOTTSWSA-N -1 0 346.324 2.956 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594235303 959507106 /nfs/dbraw/zinc/50/71/06/959507106.db2.gz IDVBLPUQJUTBGI-STQMWFEESA-N -1 0 349.387 2.942 20 5 EFBDRM CC(C)(C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001588611238 959510111 /nfs/dbraw/zinc/51/01/11/959510111.db2.gz KGHCHLWGOXLQMP-UHFFFAOYSA-N -1 0 344.323 2.915 20 5 EFBDRM C[C@@](NCc1nc2cc([N+](=O)[O-])ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001573630446 959547891 /nfs/dbraw/zinc/54/78/91/959547891.db2.gz INZSNLVWTNTUSI-KRWDZBQOSA-N -1 0 341.323 2.826 20 5 EFBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001588635022 959648274 /nfs/dbraw/zinc/64/82/74/959648274.db2.gz WZLCPLLYWYPHGK-SNVBAGLBSA-N -1 0 346.286 2.882 20 5 EFBDRM Cc1c(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001594259377 959681711 /nfs/dbraw/zinc/68/17/11/959681711.db2.gz NCRQTOFIMRBBCT-SFHVURJKSA-N -1 0 342.351 2.562 20 5 EFBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001573667614 959706482 /nfs/dbraw/zinc/70/64/82/959706482.db2.gz JFBOVBASOFTIML-MRXNPFEDSA-N -1 0 329.312 2.582 20 5 EFBDRM Cc1c(NC(=O)NCCC(=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC001594266284 959741355 /nfs/dbraw/zinc/74/13/55/959741355.db2.gz HCSUCHZPMXLYCO-UHFFFAOYSA-N -1 0 335.238 2.518 20 5 EFBDRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588650374 959761068 /nfs/dbraw/zinc/76/10/68/959761068.db2.gz ILOPKTOFRSSOER-NSHDSACASA-N -1 0 338.364 2.578 20 5 EFBDRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccccc1[N+](=O)[O-] ZINC001603272434 972484290 /nfs/dbraw/zinc/48/42/90/972484290.db2.gz PNQUXMDFDLBFGT-JTQLQIEISA-N -1 0 339.369 2.797 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001574265492 960576554 /nfs/dbraw/zinc/57/65/54/960576554.db2.gz CVUPUZUIHRJBGA-PRHODGIISA-N -1 0 326.736 2.716 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001574330270 960873807 /nfs/dbraw/zinc/87/38/07/960873807.db2.gz RYRGCTYXUKWAMC-AWEZNQCLSA-N -1 0 341.751 2.885 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001573809571 960874251 /nfs/dbraw/zinc/87/42/51/960874251.db2.gz OXWITGICNUJXFH-SUMWQHHRSA-N -1 0 334.372 2.629 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574382195 961112913 /nfs/dbraw/zinc/11/29/13/961112913.db2.gz OPUNSBNSJSSESX-CQSZACIVSA-N -1 0 332.287 2.598 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001326694727 961119996 /nfs/dbraw/zinc/11/99/96/961119996.db2.gz XYGZBNIWVJKZQT-NWDGAFQWSA-N -1 0 349.293 2.573 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001574388720 961150931 /nfs/dbraw/zinc/15/09/31/961150931.db2.gz KOKAQDIIBSFSRC-PYUISTEWSA-N -1 0 340.335 2.859 20 5 EFBDRM CCNc1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC001573887590 961308818 /nfs/dbraw/zinc/30/88/18/961308818.db2.gz DCYFLXYPGZNENA-UHFFFAOYSA-N -1 0 337.376 2.647 20 5 EFBDRM CC(C)(c1nc(C2(C(=O)[O-])CCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001588794901 961372957 /nfs/dbraw/zinc/37/29/57/961372957.db2.gz UHQFLLBUDRWWLR-UHFFFAOYSA-N -1 0 331.328 2.810 20 5 EFBDRM CC(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001588829565 961686437 /nfs/dbraw/zinc/68/64/37/961686437.db2.gz JLJDQSCHDQLUGC-SECBINFHSA-N -1 0 349.170 2.988 20 5 EFBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001574556246 961985517 /nfs/dbraw/zinc/98/55/17/961985517.db2.gz AMLKWXNUHLOPEC-RYUDHWBXSA-N -1 0 332.337 2.699 20 5 EFBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001574601724 962166502 /nfs/dbraw/zinc/16/65/02/962166502.db2.gz LMTWFUMKOFIMRX-ZDUSSCGKSA-N -1 0 333.275 2.681 20 5 EFBDRM CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001588957753 962602518 /nfs/dbraw/zinc/60/25/18/962602518.db2.gz TVQPKLLVDZVTEU-JTQLQIEISA-N -1 0 349.265 2.844 20 5 EFBDRM O=C([O-])c1ccnc(Oc2cncc(Br)c2)c1[N+](=O)[O-] ZINC000312844855 963597639 /nfs/dbraw/zinc/59/76/39/963597639.db2.gz WUSFPMYOUACAEJ-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000841505320 969221904 /nfs/dbraw/zinc/22/19/04/969221904.db2.gz NCLJLHSPJVEPMG-SECBINFHSA-N -1 0 330.287 2.887 20 5 EFBDRM C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454784 969262630 /nfs/dbraw/zinc/26/26/30/969262630.db2.gz WCIOUYRCHMMSOP-ODUHTRJVSA-N -1 0 346.383 2.860 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCCCCCC(=O)[O-])cc1Cl ZINC001607709514 970395447 /nfs/dbraw/zinc/39/54/47/970395447.db2.gz YSYALRJFCSFQNK-UHFFFAOYSA-N -1 0 328.752 2.931 20 5 EFBDRM C[C@H](C(=O)N(CC(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001609696357 970456970 /nfs/dbraw/zinc/45/69/70/970456970.db2.gz SFKQGJNAYXVKID-NSHDSACASA-N -1 0 346.314 2.955 20 5 EFBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1F ZINC001609696335 970456989 /nfs/dbraw/zinc/45/69/89/970456989.db2.gz OTWLMWXYKPPJRO-JTQLQIEISA-N -1 0 346.314 2.852 20 5 EFBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001604180491 972602807 /nfs/dbraw/zinc/60/28/07/972602807.db2.gz MKNCHDQEORXFLR-AATRIKPKSA-N -1 0 344.323 2.600 20 5 EFBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001605005104 972611099 /nfs/dbraw/zinc/61/10/99/972611099.db2.gz VQFDRJJARNYTTI-NOZJJQNGSA-N -1 0 340.763 2.645 20 5 EFBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(CC(=O)[O-])CCC1 ZINC001604187368 972613756 /nfs/dbraw/zinc/61/37/56/972613756.db2.gz PMTCVQAXCPLUTI-UHFFFAOYSA-N -1 0 340.763 2.852 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001605877938 972656112 /nfs/dbraw/zinc/65/61/12/972656112.db2.gz SVDQGKAOUFIPIS-VHSXEESVSA-N -1 0 329.312 2.582 20 5 EFBDRM Cc1c(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001605076290 972704445 /nfs/dbraw/zinc/70/44/45/972704445.db2.gz JTXBYDBXDPQQCW-UHFFFAOYSA-N -1 0 340.295 2.501 20 5 EFBDRM Cc1c(NC(=O)N[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC001605092457 972744460 /nfs/dbraw/zinc/74/44/60/972744460.db2.gz YUBKTCFKYXGRHV-LURJTMIESA-N -1 0 335.238 2.517 20 5 EFBDRM Cc1c(OC(=O)c2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001605093632 972750384 /nfs/dbraw/zinc/75/03/84/972750384.db2.gz LXAWXVZGHQXQNM-UHFFFAOYSA-N -1 0 331.280 2.586 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001605170463 972867387 /nfs/dbraw/zinc/86/73/87/972867387.db2.gz AYRAMRFTRTYWJA-SDBXPKJASA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cc2noc([C@@H]3CC[C@H](C(=O)[O-])C3)n2)ccc1[N+](=O)[O-] ZINC001605170849 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EFBDRM CCCc1[nH]nc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000829550873 979002438 /nfs/dbraw/zinc/00/24/38/979002438.db2.gz ZCRUTWIEDMKJFZ-UHFFFAOYSA-N -1 0 332.316 2.529 20 5 EFBDRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001592682635 979105036 /nfs/dbraw/zinc/10/50/36/979105036.db2.gz DUGFHQJRSIMSKN-SNVBAGLBSA-N -1 0 344.327 2.613 20 5 EFBDRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001592682634 979105095 /nfs/dbraw/zinc/10/50/95/979105095.db2.gz DUGFHQJRSIMSKN-JTQLQIEISA-N -1 0 344.327 2.613 20 5 EFBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001592694635 979148617 /nfs/dbraw/zinc/14/86/17/979148617.db2.gz XCWGNTLXTQZXOI-SNVBAGLBSA-N -1 0 346.314 2.966 20 5 EFBDRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001595045401 979253100 /nfs/dbraw/zinc/25/31/00/979253100.db2.gz MJKYSOMHCTWZQT-UHFFFAOYSA-N -1 0 337.328 2.636 20 5 EFBDRM Cc1cc(N2CC[C@H](c3ccccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844207426 979356045 /nfs/dbraw/zinc/35/60/45/979356045.db2.gz FHWLXLIWTQFOHJ-LBPRGKRZSA-N -1 0 327.340 2.990 20 5 EFBDRM O=C([O-])Cc1ccc(N2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000844208018 979358145 /nfs/dbraw/zinc/35/81/45/979358145.db2.gz LOQYRVXMXXDAHR-CYBMUJFWSA-N -1 0 327.340 2.611 20 5 EFBDRM Cc1cc([C@@](C)(O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000844208928 979359735 /nfs/dbraw/zinc/35/97/35/979359735.db2.gz BTXMSWQNNGWWNR-KRWDZBQOSA-N -1 0 348.355 2.751 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000844209210 979360636 /nfs/dbraw/zinc/36/06/36/979360636.db2.gz IBWRLOSWJBZABI-UHFFFAOYSA-N -1 0 334.372 2.617 20 5 EFBDRM CN(CCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000844209592 979361751 /nfs/dbraw/zinc/36/17/51/979361751.db2.gz XBEZSGUULKQIMY-UHFFFAOYSA-N -1 0 343.383 2.795 20 5 EFBDRM C[C@](O)(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000844210181 979362849 /nfs/dbraw/zinc/36/28/49/979362849.db2.gz 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2.656 20 5 EFBDRM C[C@H]1CC2(CCC2)CN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594282840 999094020 /nfs/dbraw/zinc/09/40/20/999094020.db2.gz JBUTWIUQRLVVRE-VIFPVBQESA-N -1 0 335.316 2.970 20 5 EFBDRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594284206 999101943 /nfs/dbraw/zinc/10/19/43/999101943.db2.gz KIMADCHREQHPBJ-AJOWYKLOSA-N -1 0 346.383 2.693 20 5 EFBDRM C[C@@H]1CC[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC001594301544 999163065 /nfs/dbraw/zinc/16/30/65/999163065.db2.gz DANRAOHIEGUPKI-BWACUDIHSA-N -1 0 334.372 2.837 20 5 EFBDRM C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC001594352257 999333421 /nfs/dbraw/zinc/33/34/21/999333421.db2.gz BEZDANGDRJSREK-NTZNESFSSA-N -1 0 349.387 2.646 20 5 EFBDRM C[C@H]1CCCC[C@@H]1CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001594366139 999383489 /nfs/dbraw/zinc/38/34/89/999383489.db2.gz JQIYZSIWXGSKSR-WCQYABFASA-N -1 0 349.387 2.647 20 5 EFBDRM 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ZINC000436977757 312605311 /nfs/dbraw/zinc/60/53/11/312605311.db2.gz SMDDEIBNEWZEBP-NSHDSACASA-N -1 0 334.715 2.817 20 5 EFBDRM COc1c2ccccc2oc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436989168 312606680 /nfs/dbraw/zinc/60/66/80/312606680.db2.gz YUKRRKSWOXNFLG-UHFFFAOYSA-N -1 0 342.307 2.985 20 5 EFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000451052244 312806234 /nfs/dbraw/zinc/80/62/34/312806234.db2.gz WTKKVDKXOYIYLJ-UHFFFAOYSA-N -1 0 347.396 2.896 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)c1 ZINC000451052219 312806305 /nfs/dbraw/zinc/80/63/05/312806305.db2.gz WTEXZLMUZQOJNW-UHFFFAOYSA-N -1 0 347.396 2.896 20 5 EFBDRM CCc1n[n-]c(=NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)o1 ZINC000453053334 312851988 /nfs/dbraw/zinc/85/19/88/312851988.db2.gz SUNJHUUWOMHDON-UHFFFAOYSA-N -1 0 344.327 2.843 20 5 EFBDRM CC1(C)[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCCO[C@H]21 ZINC000486933621 313349567 /nfs/dbraw/zinc/34/95/67/313349567.db2.gz FUJUEZGWFSDHGG-MGPQQGTHSA-N -1 0 344.371 2.682 20 5 EFBDRM COc1cccc(CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486958691 313352506 /nfs/dbraw/zinc/35/25/06/313352506.db2.gz UIZOEPCZCHDFRA-UHFFFAOYSA-N -1 0 340.339 2.730 20 5 EFBDRM CCC1(CC)[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1OC ZINC000488483919 313489453 /nfs/dbraw/zinc/48/94/53/313489453.db2.gz HXRVHFWHOCDSJE-CABCVRRESA-N -1 0 336.388 2.966 20 5 EFBDRM O=C([O-])c1cccc(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000492139828 313889125 /nfs/dbraw/zinc/88/91/25/313889125.db2.gz OVRGRMSHDBUYQX-ALCCZGGFSA-N -1 0 344.298 2.762 20 5 EFBDRM COc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000493227936 314283796 /nfs/dbraw/zinc/28/37/96/314283796.db2.gz TYWBUZGIZIPPBV-RUDMXATFSA-N -1 0 342.307 2.954 20 5 EFBDRM COc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000493227937 314284201 /nfs/dbraw/zinc/28/42/01/314284201.db2.gz TYWBUZGIZIPPBV-WTKPLQERSA-N -1 0 342.307 2.954 20 5 EFBDRM COC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000494571877 314607173 /nfs/dbraw/zinc/60/71/73/314607173.db2.gz ISNVKUMVQMOIGH-UHFFFAOYSA-N -1 0 349.274 2.870 20 5 EFBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000497124720 315318133 /nfs/dbraw/zinc/31/81/33/315318133.db2.gz DNXLRLPEHJKUBJ-UHFFFAOYSA-N -1 0 337.332 2.608 20 5 EFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)s1 ZINC000508099625 315491762 /nfs/dbraw/zinc/49/17/62/315491762.db2.gz VLAMHTPOCCKWSO-UHFFFAOYSA-N -1 0 340.373 2.903 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000516421946 315676380 /nfs/dbraw/zinc/67/63/80/315676380.db2.gz PXNPCTSPXSOYHE-RYUDHWBXSA-N -1 0 335.360 2.552 20 5 EFBDRM O=C([O-])c1ccnc(N2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000517032657 315733245 /nfs/dbraw/zinc/73/32/45/315733245.db2.gz FGXULKJZKKTHCB-NSHDSACASA-N -1 0 331.303 2.821 20 5 EFBDRM Cc1cccc(OCCN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000517943818 315789323 /nfs/dbraw/zinc/78/93/23/315789323.db2.gz SPFXSVJYAPLFQV-UHFFFAOYSA-N -1 0 331.328 2.512 20 5 EFBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000520818660 315982520 /nfs/dbraw/zinc/98/25/20/315982520.db2.gz XMLFNPKOPTZZBC-RNCFNFMXSA-N -1 0 349.368 2.716 20 5 EFBDRM CCOc1cc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1OC ZINC000521881111 316049897 /nfs/dbraw/zinc/04/98/97/316049897.db2.gz QPHXPPOEAJOTTR-UHFFFAOYSA-N -1 0 347.327 2.707 20 5 EFBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000531485895 317274114 /nfs/dbraw/zinc/27/41/14/317274114.db2.gz HDLNSVJLJVYXHA-UHFFFAOYSA-N -1 0 334.309 2.847 20 5 EFBDRM O=C([O-])CCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000538582815 317697277 /nfs/dbraw/zinc/69/72/77/317697277.db2.gz RYGPNYGKWCHXCF-UHFFFAOYSA-N -1 0 334.372 2.631 20 5 EFBDRM CCC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000541873246 317795260 /nfs/dbraw/zinc/79/52/60/317795260.db2.gz GWZNIBHAHXATAP-UHFFFAOYSA-N -1 0 343.339 2.579 20 5 EFBDRM CNc1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000543447112 317849437 /nfs/dbraw/zinc/84/94/37/317849437.db2.gz VMYRJHJDRQSPBO-UHFFFAOYSA-N -1 0 329.312 2.895 20 5 EFBDRM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000548146708 318078609 /nfs/dbraw/zinc/07/86/09/318078609.db2.gz CHLWYUCKPFLTDX-JTQLQIEISA-N -1 0 344.286 2.743 20 5 EFBDRM COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000548828645 318148190 /nfs/dbraw/zinc/14/81/90/318148190.db2.gz ZSGPDLMLSCHFCE-UHFFFAOYSA-N -1 0 332.312 2.922 20 5 EFBDRM O=C(Nc1ccc2oc(CO)cc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000552426083 318255995 /nfs/dbraw/zinc/25/59/95/318255995.db2.gz SNLMYQZJXMRJON-UHFFFAOYSA-N -1 0 328.280 2.791 20 5 EFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(Cc2ccsc2)CC1 ZINC000555300318 318352250 /nfs/dbraw/zinc/35/22/50/318352250.db2.gz CULWWCITSAHTJF-UHFFFAOYSA-N -1 0 333.413 2.680 20 5 EFBDRM CNc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1[N+](=O)[O-] ZINC000555737810 318367668 /nfs/dbraw/zinc/36/76/68/318367668.db2.gz GTACDEHQTAAXJR-UHFFFAOYSA-N -1 0 335.360 2.544 20 5 EFBDRM Cc1ccc([C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000559579476 318515270 /nfs/dbraw/zinc/51/52/70/318515270.db2.gz QJDLEQNHNCQQHV-MNOVXSKESA-N -1 0 335.360 2.611 20 5 EFBDRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000562415818 318645892 /nfs/dbraw/zinc/64/58/92/318645892.db2.gz MVVRYWPSOQWCSJ-WDEREUQCSA-N -1 0 335.360 2.693 20 5 EFBDRM CCOC[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563193044 318751773 /nfs/dbraw/zinc/75/17/73/318751773.db2.gz JOWZEZHWMVUIML-LLVKDONJSA-N -1 0 342.779 2.985 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000563204832 318753237 /nfs/dbraw/zinc/75/32/37/318753237.db2.gz QMCAFTINZNIDFM-GFCCVEGCSA-N -1 0 345.330 2.896 20 5 EFBDRM CCC[C@H](CC)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000563225506 318756804 /nfs/dbraw/zinc/75/68/04/318756804.db2.gz PWSDGVFJMGABMM-LBPRGKRZSA-N -1 0 330.362 2.613 20 5 EFBDRM COC[C@H](C)Oc1cccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)c1 ZINC000563438077 318785460 /nfs/dbraw/zinc/78/54/60/318785460.db2.gz NNGCNTAAORLQIN-JTQLQIEISA-N -1 0 332.312 2.769 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563585323 318799011 /nfs/dbraw/zinc/79/90/11/318799011.db2.gz QAIPUJXHBIMKLN-LBPRGKRZSA-N -1 0 335.360 2.930 20 5 EFBDRM CCN(CC)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000563889821 318826269 /nfs/dbraw/zinc/82/62/69/318826269.db2.gz XCYXMXYZOHLTJB-UHFFFAOYSA-N -1 0 345.359 2.541 20 5 EFBDRM CN(CC[C@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565022764 318923240 /nfs/dbraw/zinc/92/32/40/318923240.db2.gz RMILMAUKSBYCPC-SNVBAGLBSA-N -1 0 328.752 2.595 20 5 EFBDRM C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@]1(C)C(=O)[O-] ZINC000565030738 318924525 /nfs/dbraw/zinc/92/45/25/318924525.db2.gz QPORCGUHNUPQPB-JDNHERCYSA-N -1 0 348.380 2.992 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000565036120 318925655 /nfs/dbraw/zinc/92/56/55/318925655.db2.gz TWJVJUDRUQHQCT-OAHLLOKOSA-N -1 0 342.351 2.741 20 5 EFBDRM CC(C)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000565205829 318946558 /nfs/dbraw/zinc/94/65/58/318946558.db2.gz DLDHYEDTRJIYBF-OAHLLOKOSA-N -1 0 336.388 2.608 20 5 EFBDRM O=C(NCCC[C@@H]1CCOC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565953042 319017685 /nfs/dbraw/zinc/01/76/85/319017685.db2.gz OHJGOSDNIHXVQJ-SECBINFHSA-N -1 0 328.752 2.500 20 5 EFBDRM CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000566233343 319050671 /nfs/dbraw/zinc/05/06/71/319050671.db2.gz APQHMXOCLJIEEK-FZMZJTMJSA-N -1 0 334.372 2.901 20 5 EFBDRM CCOc1ccc2c(c1)CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000566292595 319058395 /nfs/dbraw/zinc/05/83/95/319058395.db2.gz ZXBJYFQVCGHGIY-UHFFFAOYSA-N -1 0 343.339 2.649 20 5 EFBDRM CN(Cc1cc(C(C)(C)C)n[nH]1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566291081 319058411 /nfs/dbraw/zinc/05/84/11/319058411.db2.gz FICRDJKTLXDPJL-UHFFFAOYSA-N -1 0 332.360 2.950 20 5 EFBDRM CSC1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCOCC1 ZINC000566293613 319059056 /nfs/dbraw/zinc/05/90/56/319059056.db2.gz YJQFULAFGOVSFI-UHFFFAOYSA-N -1 0 326.374 2.617 20 5 EFBDRM COc1ccc(CCCN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000567169908 319145054 /nfs/dbraw/zinc/14/50/54/319145054.db2.gz FHVKWKAXOUINOH-UHFFFAOYSA-N -1 0 345.355 2.766 20 5 EFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1cc[nH]n1 ZINC000567504256 319178718 /nfs/dbraw/zinc/17/87/18/319178718.db2.gz HWIMMJYURRERJF-NSHDSACASA-N -1 0 336.735 2.654 20 5 EFBDRM O=C([O-])c1cnc(N2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000567739553 319205736 /nfs/dbraw/zinc/20/57/36/319205736.db2.gz VDKJGFGGTPTKHO-GFCCVEGCSA-N -1 0 343.339 2.593 20 5 EFBDRM Cc1cc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)ccc1O[C@H]1CCOC1 ZINC000567754086 319208080 /nfs/dbraw/zinc/20/80/80/319208080.db2.gz QAKSTMCJUAJMOV-LBPRGKRZSA-N -1 0 344.323 2.831 20 5 EFBDRM CCO[C@@H]1C[C@@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC000567976290 319232386 /nfs/dbraw/zinc/23/23/86/319232386.db2.gz KKFSCIUBOGAIDE-VXGBXAGGSA-N -1 0 335.360 2.756 20 5 EFBDRM O=C([O-])c1ccnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000567978090 319232391 /nfs/dbraw/zinc/23/23/91/319232391.db2.gz WTIYSLIXJMWPDX-LBPRGKRZSA-N -1 0 345.330 2.896 20 5 EFBDRM COCC[C@@H](Cc1ccco1)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567985109 319233677 /nfs/dbraw/zinc/23/36/77/319233677.db2.gz LEGJJYQZSQYAGM-NSHDSACASA-N -1 0 349.343 2.649 20 5 EFBDRM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000567983989 319233679 /nfs/dbraw/zinc/23/36/79/319233679.db2.gz ALASWVAGQLWZJO-UHFFFAOYSA-N -1 0 347.396 2.990 20 5 EFBDRM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000568585441 319296368 /nfs/dbraw/zinc/29/63/68/319296368.db2.gz CUKSJWZPRNSVIX-UHFFFAOYSA-N -1 0 347.302 2.853 20 5 EFBDRM CC[C@]1(C)COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568636869 319304020 /nfs/dbraw/zinc/30/40/20/319304020.db2.gz NBQCWVLRKHUQOK-CQSZACIVSA-N -1 0 328.752 2.595 20 5 EFBDRM Cc1cc(N2CCC([C@H]3CCCO3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568752515 319315438 /nfs/dbraw/zinc/31/54/38/319315438.db2.gz QHCRDZSUPRTQQW-OAHLLOKOSA-N -1 0 334.372 2.997 20 5 EFBDRM CO[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000568986603 319337223 /nfs/dbraw/zinc/33/72/23/319337223.db2.gz OSEVKWCTMDFINA-WCBMZHEXSA-N -1 0 328.752 2.593 20 5 EFBDRM Cc1nc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)o1 ZINC000568987341 319337847 /nfs/dbraw/zinc/33/78/47/319337847.db2.gz XVZKRJZZKFIXIK-UHFFFAOYSA-N -1 0 339.735 2.531 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000569697035 319405626 /nfs/dbraw/zinc/40/56/26/319405626.db2.gz GIZWXCLLBAPEEG-DZGCQCFKSA-N -1 0 343.339 2.939 20 5 EFBDRM CSC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCOCC1 ZINC000570048455 319440117 /nfs/dbraw/zinc/44/01/17/319440117.db2.gz 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COc1c(C)cc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1C ZINC000571093940 319541815 /nfs/dbraw/zinc/54/18/15/319541815.db2.gz VOHJGDNHGFKIAV-UHFFFAOYSA-N -1 0 345.355 2.950 20 5 EFBDRM CCOC(=O)C(C)(C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571235503 319554235 /nfs/dbraw/zinc/55/42/35/319554235.db2.gz WGXJDDJLBCCEHN-UHFFFAOYSA-N -1 0 344.751 2.872 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000571387489 319568823 /nfs/dbraw/zinc/56/88/23/319568823.db2.gz PQUSVNXPEUQWIX-LBPRGKRZSA-N -1 0 335.360 2.930 20 5 EFBDRM Cc1ccccc1[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000571689648 319598407 /nfs/dbraw/zinc/59/84/07/319598407.db2.gz YVFHUMTWGUGWHG-OAHLLOKOSA-N -1 0 343.339 2.574 20 5 EFBDRM O=C([O-])c1ccnc(NC[C@@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000571884651 319616039 /nfs/dbraw/zinc/61/60/39/319616039.db2.gz VOFCJQQJUHRYBF-LBPRGKRZSA-N -1 0 342.355 2.626 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1 ZINC000572169567 319643832 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343.295 2.618 20 5 EFBDRM O=C([O-])c1cc(Nc2ccnn2Cc2cccnc2)cc([N+](=O)[O-])c1 ZINC001176675183 1288065669 /nfs/dbraw/zinc/06/56/69/1288065669.db2.gz UOUODVKFIROAEM-UHFFFAOYSA-N -1 0 339.311 2.676 20 5 EFBDRM Nc1ccc2nn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c(Cl)c2c1 ZINC001176677107 1288066537 /nfs/dbraw/zinc/06/65/37/1288066537.db2.gz MEAHTFUYWPFWOH-UHFFFAOYSA-N -1 0 332.703 2.868 20 5 EFBDRM O=C([O-])c1cc(Nc2ccc3nc(C4CC4)nn3c2)cc([N+](=O)[O-])c1 ZINC001176677806 1288066969 /nfs/dbraw/zinc/06/69/69/1288066969.db2.gz AUVFZLYTBSAAKG-UHFFFAOYSA-N -1 0 339.311 2.957 20 5 EFBDRM O=C([O-])c1cc(Nc2cccc(F)c2OC2COC2)cc([N+](=O)[O-])c1 ZINC001176679972 1288067713 /nfs/dbraw/zinc/06/77/13/1288067713.db2.gz UNFKLWFYXPFHOA-UHFFFAOYSA-N -1 0 348.286 2.953 20 5 EFBDRM O=C([O-])c1cc(Nc2cccc3c2CCC(=O)N3)cc([N+](=O)[O-])c1 ZINC001176679844 1288067747 /nfs/dbraw/zinc/06/77/47/1288067747.db2.gz PVQNLRBLVWPBDS-UHFFFAOYSA-N -1 0 327.296 2.921 20 5 EFBDRM CN1C(=O)NCc2c(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cccc21 ZINC001176678760 1288067813 /nfs/dbraw/zinc/06/78/13/1288067813.db2.gz BDZZQKVVBTWKPO-UHFFFAOYSA-N -1 0 342.311 2.696 20 5 EFBDRM O=C([O-])c1cc(Nc2cccc3c2C(=O)N=NC3=O)cc([N+](=O)[O-])c1 ZINC001176679435 1288067880 /nfs/dbraw/zinc/06/78/80/1288067880.db2.gz KCGWEDDHOQFAKX-UHFFFAOYSA-N -1 0 340.251 2.783 20 5 EFBDRM COC(=O)c1cc(F)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679386 1288067950 /nfs/dbraw/zinc/06/79/50/1288067950.db2.gz IGNBCOOROUURKY-UHFFFAOYSA-N -1 0 334.259 2.962 20 5 EFBDRM CC[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C)OC ZINC000817352288 1288546264 /nfs/dbraw/zinc/54/62/64/1288546264.db2.gz ICANZKNQRGYHDS-VIFPVBQESA-N -1 0 336.797 2.723 20 5 EFBDRM O=C([O-])c1ccc(N[C@H]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001171041021 1289508067 /nfs/dbraw/zinc/50/80/67/1289508067.db2.gz RXUDDUQGDKUMKW-LBPRGKRZSA-N -1 0 328.324 2.968 20 5 EFBDRM O=C1CCCc2cc(-c3noc(-c4nc[n-]c4[N+](=O)[O-])n3)ccc21 ZINC001212892966 1290622953 /nfs/dbraw/zinc/62/29/53/1290622953.db2.gz 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CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077688532 1298196060 /nfs/dbraw/zinc/19/60/60/1298196060.db2.gz VVNDQLMQBBYREN-UHFFFAOYSA-N -1 0 338.316 2.737 20 5 EFBDRM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000795387828 1300930231 /nfs/dbraw/zinc/93/02/31/1300930231.db2.gz MJXVOOUNKWMYGK-SECBINFHSA-N -1 0 340.332 2.588 20 5 EFBDRM C[C@@H](CN(C)Cc1cc([O-])ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098155 1301701071 /nfs/dbraw/zinc/70/10/71/1301701071.db2.gz ZCTNTBNJWNPEOH-NSHDSACASA-N -1 0 339.392 2.645 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O)c1F ZINC000120532092 1303239088 /nfs/dbraw/zinc/23/90/88/1303239088.db2.gz HLAGKJQYGVIQJK-UHFFFAOYSA-N -1 0 326.305 2.549 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1F ZINC000121897761 1304000245 /nfs/dbraw/zinc/00/02/45/1304000245.db2.gz CVYOEKLSHDACMV-UHFFFAOYSA-N -1 0 344.295 2.688 20 5 EFBDRM CC(C)CC(=O)N1CCC(C)(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001067234244 1313990126 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C[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589109258 956059101 /nfs/dbraw/zinc/05/91/01/956059101.db2.gz VEJKPKAAJZMYJZ-VIFPVBQESA-N -1 0 330.300 2.571 20 5 EFBDRM CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001603089278 972164768 /nfs/dbraw/zinc/16/47/68/972164768.db2.gz TVQPKLLVDZVTEU-SNVBAGLBSA-N -1 0 349.265 2.844 20 5 EFBDRM Nc1c(Cl)cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594662753 956546394 /nfs/dbraw/zinc/54/63/94/956546394.db2.gz DKRDIYISPUZVQH-UHFFFAOYSA-N -1 0 335.703 2.781 20 5 EFBDRM Nc1c(Cl)cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594663236 956551734 /nfs/dbraw/zinc/55/17/34/956551734.db2.gz RZWGBYXSTZHCEX-UHFFFAOYSA-N -1 0 349.730 2.710 20 5 EFBDRM O=C([O-])c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001594682824 956702717 /nfs/dbraw/zinc/70/27/17/956702717.db2.gz XCHMFJKGIWCIOB-UHFFFAOYSA-N -1 0 344.327 2.519 20 5 EFBDRM O=C([O-])C1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC001594708663 956861721 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Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594308127 957988215 /nfs/dbraw/zinc/98/82/15/957988215.db2.gz MCYPVBHWSKCGJO-JTQLQIEISA-N -1 0 328.752 2.643 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001594329985 958210336 /nfs/dbraw/zinc/21/03/36/958210336.db2.gz VIBRNDSGOHILRO-CYBMUJFWSA-N -1 0 341.323 2.517 20 5 EFBDRM C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001573362734 958602214 /nfs/dbraw/zinc/60/22/14/958602214.db2.gz GCWCISLRWXPYCF-MRVPVSSYSA-N -1 0 333.275 2.569 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C(=O)[O-])c1C ZINC001594377594 958605552 /nfs/dbraw/zinc/60/55/52/958605552.db2.gz GGCKHMFEHUXGDW-UHFFFAOYSA-N -1 0 328.324 2.840 20 5 EFBDRM C[C@H](C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001573363724 958609357 /nfs/dbraw/zinc/60/93/57/958609357.db2.gz LFVDDKQHCRPNON-BHDSKKPTSA-N -1 0 338.335 2.549 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ncccc1C(=O)[O-] ZINC001594381530 958629505 /nfs/dbraw/zinc/62/95/05/958629505.db2.gz ZWYPAWXDBSWEOZ-JTQLQIEISA-N -1 0 330.296 2.914 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001594381498 958629974 /nfs/dbraw/zinc/62/99/74/958629974.db2.gz ZDWUTOXVQVOQSI-ZYHUDNBSSA-N -1 0 335.360 2.929 20 5 EFBDRM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001573394332 958709706 /nfs/dbraw/zinc/70/97/06/958709706.db2.gz CRLFPFPESNNQNK-LLVKDONJSA-N -1 0 344.314 2.882 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398054 958791955 /nfs/dbraw/zinc/79/19/55/958791955.db2.gz ROVJIKPDOMAAMT-MRXNPFEDSA-N -1 0 346.314 2.527 20 5 EFBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001605743426 972387876 /nfs/dbraw/zinc/38/78/76/972387876.db2.gz KPFDDEACRVAAAD-YPMHNXCESA-N -1 0 344.298 2.777 20 5 EFBDRM CSc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[N+](=O)[O-] ZINC001594192559 959170761 /nfs/dbraw/zinc/17/07/61/959170761.db2.gz AWQRUGBZNJQJEE-ZJUUUORDSA-N -1 0 338.385 2.642 20 5 EFBDRM C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001594204053 959264977 /nfs/dbraw/zinc/26/49/77/959264977.db2.gz ZVDOHEDXSJRQGE-SECBINFHSA-N -1 0 330.300 2.571 20 5 EFBDRM C[C@@H](C(=O)[O-])N(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC001588585004 959298343 /nfs/dbraw/zinc/29/83/43/959298343.db2.gz SSXJOWIOWPJXIM-VIFPVBQESA-N -1 0 340.763 2.645 20 5 EFBDRM C[C@H](C(=O)[O-])N(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC001588585003 959299159 /nfs/dbraw/zinc/29/91/59/959299159.db2.gz SSXJOWIOWPJXIM-SECBINFHSA-N -1 0 340.763 2.645 20 5 EFBDRM C[C@H]([C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1F)[N+](=O)[O-] ZINC001588607125 959482553 /nfs/dbraw/zinc/48/25/53/959482553.db2.gz PTBSYWUKIIMKSV-DEKYYXRVSA-N -1 0 339.319 2.576 20 5 EFBDRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001594234792 959502726 /nfs/dbraw/zinc/50/27/26/959502726.db2.gz NGARGAJJQVBHDD-PCYYEKQGSA-N -1 0 330.296 2.777 20 5 EFBDRM Cc1c(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001594259376 959681891 /nfs/dbraw/zinc/68/18/91/959681891.db2.gz NCRQTOFIMRBBCT-GOSISDBHSA-N -1 0 342.351 2.562 20 5 EFBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001573666914 959693694 /nfs/dbraw/zinc/69/36/94/959693694.db2.gz BIGYNIASYWUGEU-MRXNPFEDSA-N -1 0 329.312 2.582 20 5 EFBDRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001603270779 972478807 /nfs/dbraw/zinc/47/88/07/972478807.db2.gz ALJRNWABISVKQB-JTQLQIEISA-N -1 0 339.369 2.797 20 5 EFBDRM CN(C)c1ccc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1[N+](=O)[O-] ZINC001604091304 972491763 /nfs/dbraw/zinc/49/17/63/972491763.db2.gz VZMGUWQKUUPGOU-KRWDZBQOSA-N -1 0 348.355 2.515 20 5 EFBDRM C/C(=C/C(=O)[O-])COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000232467113 960277438 /nfs/dbraw/zinc/27/74/38/960277438.db2.gz JKJBPASBALKRSV-KXFIGUGUSA-N -1 0 334.097 2.906 20 5 EFBDRM CC(C)(C)CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC001588653371 960403031 /nfs/dbraw/zinc/40/30/31/960403031.db2.gz XZNWGGAUXTYIPZ-MRVPVSSYSA-N -1 0 326.378 2.995 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001588657150 960417348 /nfs/dbraw/zinc/41/73/48/960417348.db2.gz RMQUOQZSZAEXFG-UHFFFAOYSA-N -1 0 348.359 2.578 20 5 EFBDRM C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727525 960420848 /nfs/dbraw/zinc/42/08/48/960420848.db2.gz VGFJXUVSNSHNFK-NHYWBVRUSA-N -1 0 345.355 2.935 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001574258199 960555157 /nfs/dbraw/zinc/55/51/57/960555157.db2.gz ZFAVAZDAKSWHSI-UHFFFAOYSA-N -1 0 340.401 2.890 20 5 EFBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001573757383 960565923 /nfs/dbraw/zinc/56/59/23/960565923.db2.gz ANXYIKMVJQNSAK-NSHDSACASA-N -1 0 328.752 2.502 20 5 EFBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001254215175 960651795 /nfs/dbraw/zinc/65/17/95/960651795.db2.gz FLKGTHWLXJFAGP-RYUDHWBXSA-N -1 0 332.356 2.945 20 5 EFBDRM Cc1c(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC001574297668 960702589 /nfs/dbraw/zinc/70/25/89/960702589.db2.gz CHXDKBJIISKJMR-VURMDHGXSA-N -1 0 330.296 2.524 20 5 EFBDRM CCC(CC)(CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573788371 960742773 /nfs/dbraw/zinc/74/27/73/960742773.db2.gz USOMEDKILHITRI-UHFFFAOYSA-N -1 0 327.312 2.746 20 5 EFBDRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC001574318854 960810821 /nfs/dbraw/zinc/81/08/21/960810821.db2.gz BCGHHTVWMBCKMT-UHFFFAOYSA-N -1 0 344.323 2.970 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001574329471 960867022 /nfs/dbraw/zinc/86/70/22/960867022.db2.gz CIQVXRKDFGWOER-WPRPVWTQSA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001574329470 960867827 /nfs/dbraw/zinc/86/78/27/960867827.db2.gz 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CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(=O)[O-] ZINC001573936902 961605686 /nfs/dbraw/zinc/60/56/86/961605686.db2.gz CYRORFDENDIYDM-HZMBPMFUSA-N -1 0 338.360 2.611 20 5 EFBDRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588847695 961905975 /nfs/dbraw/zinc/90/59/75/961905975.db2.gz ZONSOOKEVQPFRU-QWRGUYRKSA-N -1 0 340.351 2.701 20 5 EFBDRM O=C([O-])c1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001574535200 961920140 /nfs/dbraw/zinc/92/01/40/961920140.db2.gz ZPRGWFUBJCHZNM-UHFFFAOYSA-N -1 0 346.364 2.702 20 5 EFBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC001574557334 961998275 /nfs/dbraw/zinc/99/82/75/961998275.db2.gz JFONAJUMGZQFCQ-WFASDCNBSA-N -1 0 344.298 2.777 20 5 EFBDRM CC(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001588884372 962169345 /nfs/dbraw/zinc/16/93/45/962169345.db2.gz VEZRQYWEWLCBCN-CYBMUJFWSA-N -1 0 346.343 2.764 20 5 EFBDRM O=C([O-])[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CCCC1 ZINC001574617816 962236296 /nfs/dbraw/zinc/23/62/96/962236296.db2.gz WNZQHTVUBJFHTK-OAHLLOKOSA-N -1 0 343.339 2.973 20 5 EFBDRM COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001574090630 962341965 /nfs/dbraw/zinc/34/19/65/962341965.db2.gz CWBNZMONZSRRQS-NSHDSACASA-N -1 0 338.360 2.930 20 5 EFBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001588917633 962347962 /nfs/dbraw/zinc/34/79/62/962347962.db2.gz FNWQODQYJMXMDO-UHFFFAOYSA-N -1 0 338.363 2.617 20 5 EFBDRM O=C([O-])[C@@H]1C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)c2ccccc21 ZINC001574650056 962418984 /nfs/dbraw/zinc/41/89/84/962418984.db2.gz NKCJCGBPNGDSRW-DOMZBBRYSA-N -1 0 346.314 2.951 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001574692570 962653394 /nfs/dbraw/zinc/65/33/94/962653394.db2.gz WUCFTYQVUMTLFG-APHBMKBZSA-N -1 0 346.383 2.802 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001574692572 962655892 /nfs/dbraw/zinc/65/58/92/962655892.db2.gz WUCFTYQVUMTLFG-RCBQFDQVSA-N -1 0 346.383 2.802 20 5 EFBDRM O=C([O-])CN(CC1CC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001574711041 962713321 /nfs/dbraw/zinc/71/33/21/962713321.db2.gz MZNYVTPNOFTZRR-UHFFFAOYSA-N -1 0 346.261 2.550 20 5 EFBDRM COc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001574218960 962955969 /nfs/dbraw/zinc/95/59/69/962955969.db2.gz PFKVFPYBCQUDPM-HWKANZROSA-N -1 0 332.268 2.547 20 5 EFBDRM C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454787 969262568 /nfs/dbraw/zinc/26/25/68/969262568.db2.gz WCIOUYRCHMMSOP-ZWONMBSHSA-N -1 0 346.383 2.860 20 5 EFBDRM CSc1cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1[N+](=O)[O-] ZINC001604971661 972563421 /nfs/dbraw/zinc/56/34/21/972563421.db2.gz HGXYLSSJHTUBQM-UHFFFAOYSA-N -1 0 340.401 2.890 20 5 EFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001604971799 972565427 /nfs/dbraw/zinc/56/54/27/972565427.db2.gz 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Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605173823 972886381 /nfs/dbraw/zinc/88/63/81/972886381.db2.gz VLZQSEMGFPYBFW-NSHDSACASA-N -1 0 329.740 2.787 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC001605329461 973199386 /nfs/dbraw/zinc/19/93/86/973199386.db2.gz WXFHWNLYARYJLW-OAHLLOKOSA-N -1 0 346.314 2.527 20 5 EFBDRM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC001603471095 973344170 /nfs/dbraw/zinc/34/41/70/973344170.db2.gz WPBHPNGAEAZAKU-CBAPKCEASA-N -1 0 333.266 2.556 20 5 EFBDRM O=C([O-])CN(CC1CC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001606227707 973483492 /nfs/dbraw/zinc/48/34/92/973483492.db2.gz RWLLUCIONAZRHL-UHFFFAOYSA-N -1 0 340.763 2.504 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001603574756 973714010 /nfs/dbraw/zinc/71/40/10/973714010.db2.gz CVJPJFCORHTQMK-ZDUSSCGKSA-N -1 0 334.372 2.677 20 5 EFBDRM O=C([O-])c1cccnc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001606528644 974036558 /nfs/dbraw/zinc/03/65/58/974036558.db2.gz DRFMEIIZTVNNND-UHFFFAOYSA-N -1 0 336.687 2.698 20 5 EFBDRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC001604820698 974055706 /nfs/dbraw/zinc/05/57/06/974055706.db2.gz NGTHTPVGERRPAX-AWEZNQCLSA-N -1 0 345.311 2.551 20 5 EFBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC001603692236 974086592 /nfs/dbraw/zinc/08/65/92/974086592.db2.gz VKXYIGNLLAIOHS-VIFPVBQESA-N -1 0 326.374 2.690 20 5 EFBDRM CCNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001603778595 974231097 /nfs/dbraw/zinc/23/10/97/974231097.db2.gz SGTSDRUYPGMTAK-HNNXBMFYSA-N -1 0 343.339 2.582 20 5 EFBDRM CC(C)Nc1ccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001591672519 975435966 /nfs/dbraw/zinc/43/59/66/975435966.db2.gz WJPIOGRSLKPYHR-UHFFFAOYSA-N -1 0 345.311 2.728 20 5 EFBDRM CC(C)O[C@@H](Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O)c1ccccc1 ZINC001591686789 975499073 /nfs/dbraw/zinc/49/90/73/975499073.db2.gz SDXJFYFMGXDYPY-HNNXBMFYSA-N 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ZINC001592601656 978537078 /nfs/dbraw/zinc/53/70/78/978537078.db2.gz CRDFRLSNPYNMEE-CYBMUJFWSA-N -1 0 336.388 2.571 20 5 EFBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000738606389 978572101 /nfs/dbraw/zinc/57/21/01/978572101.db2.gz QCGDOCCPDMSAEV-UHFFFAOYSA-N -1 0 346.314 2.503 20 5 EFBDRM O=C([O-])C[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000738607349 978572732 /nfs/dbraw/zinc/57/27/32/978572732.db2.gz KXFWVZRLKNKUEX-UHFFFAOYSA-N -1 0 332.331 2.863 20 5 EFBDRM O=C([O-])c1ccnc(N2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000738694588 978592157 /nfs/dbraw/zinc/59/21/57/978592157.db2.gz POQFYGIGTGMNQG-UHFFFAOYSA-N -1 0 333.731 2.904 20 5 EFBDRM O=C([O-])c1ccnc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000738694711 978592246 /nfs/dbraw/zinc/59/22/46/978592246.db2.gz ULXNMEDEYDPRQG-LDYMZIIASA-N -1 0 335.266 2.934 20 5 EFBDRM O=C([O-])c1ccnc(N2CCc3[nH]c4ccccc4c3C2)c1[N+](=O)[O-] ZINC000738694680 978592457 /nfs/dbraw/zinc/59/24/57/978592457.db2.gz SXXSTLTULOHAIZ-UHFFFAOYSA-N -1 0 338.323 2.732 20 5 EFBDRM O=C([O-])c1ccnc(Oc2ccc3ccc(=O)oc3c2)c1[N+](=O)[O-] ZINC000738696189 978593108 /nfs/dbraw/zinc/59/31/08/978593108.db2.gz UHVNCIXSWYYXBC-UHFFFAOYSA-N -1 0 328.236 2.587 20 5 EFBDRM NC(=O)c1ccc(CNc2ccc(F)c(NC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000739175931 978620070 /nfs/dbraw/zinc/62/00/70/978620070.db2.gz DHYKKZGVKLJAPH-UHFFFAOYSA-N -1 0 348.290 2.535 20 5 EFBDRM C[C@H](CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC001592645795 978624125 /nfs/dbraw/zinc/62/41/25/978624125.db2.gz LIANDGUYZWZDMK-XUIVZRPNSA-N -1 0 344.323 2.819 20 5 EFBDRM C[C@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC001592660297 978643995 /nfs/dbraw/zinc/64/39/95/978643995.db2.gz ORVZDOKYXMBFDS-GFCCVEGCSA-N -1 0 349.387 2.595 20 5 EFBDRM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC000746335497 978681782 /nfs/dbraw/zinc/68/17/82/978681782.db2.gz QEBCGOINSQNCKI-RNZFLTOJSA-N -1 0 330.344 2.637 20 5 EFBDRM CCCCC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828133197 978970745 /nfs/dbraw/zinc/97/07/45/978970745.db2.gz OQXRYTLWPQSCDJ-LBPRGKRZSA-N -1 0 338.360 2.675 20 5 EFBDRM C[C@@H]1COc2ccccc2N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828509863 978984886 /nfs/dbraw/zinc/98/48/86/978984886.db2.gz VQYYNRLUUDRPHA-SNVBAGLBSA-N -1 0 342.307 2.721 20 5 EFBDRM COc1cc(C(=O)[O-])cc(NCc2ccccc2[N+](=O)[O-])c1OC ZINC000831912609 979035838 /nfs/dbraw/zinc/03/58/38/979035838.db2.gz CLAORYJBJMLXEX-UHFFFAOYSA-N -1 0 332.312 2.922 20 5 EFBDRM CC[C@H](C)c1ncc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001595018342 979089464 /nfs/dbraw/zinc/08/94/64/979089464.db2.gz QSRVFKZRZSCMCW-VIFPVBQESA-N -1 0 344.327 2.849 20 5 EFBDRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001595049481 979273159 /nfs/dbraw/zinc/27/31/59/979273159.db2.gz MGYBNYBDTWHSIA-UHFFFAOYSA-N -1 0 340.351 2.816 20 5 EFBDRM CCC(CC)(CNC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001595065763 979329841 /nfs/dbraw/zinc/32/98/41/979329841.db2.gz BSEBJZMHZRYPEA-UHFFFAOYSA-N -1 0 340.401 2.694 20 5 EFBDRM C[C@@H](CO)[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001592755829 979334251 /nfs/dbraw/zinc/33/42/51/979334251.db2.gz PSKIUSISTPGWKP-VHSXEESVSA-N -1 0 342.779 2.934 20 5 EFBDRM Cc1cc([C@@H]2CCCN2c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])no1 ZINC000844209139 979361012 /nfs/dbraw/zinc/36/10/12/979361012.db2.gz UQXRCXDVFOKTOM-ZDUSSCGKSA-N -1 0 331.328 2.860 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CCO)c2cccs2)n1 ZINC000844210275 979363773 /nfs/dbraw/zinc/36/37/73/979363773.db2.gz UBIJNOJDCDBSHZ-SNVBAGLBSA-N -1 0 337.357 2.594 20 5 EFBDRM O=C([O-])/C=C\c1ccc(NCc2nnc(C3CC3)o2)c([N+](=O)[O-])c1 ZINC000844210593 979365312 /nfs/dbraw/zinc/36/53/12/979365312.db2.gz DBTZXMFPXADTLE-KXFIGUGUSA-N -1 0 330.300 2.565 20 5 EFBDRM Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844211373 979365680 /nfs/dbraw/zinc/36/56/80/979365680.db2.gz NINBMWTVQWZWGK-AWEZNQCLSA-N -1 0 342.355 2.810 20 5 EFBDRM Cc1cc(NCc2ccc([C@@H](C)O)c(C)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844212988 979370800 /nfs/dbraw/zinc/37/08/00/979370800.db2.gz DTLDLNLFBYFERB-LLVKDONJSA-N -1 0 345.355 2.970 20 5 EFBDRM CCc1ccc([C@@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000844213072 979371649 /nfs/dbraw/zinc/37/16/49/979371649.db2.gz ROQMSBJTNWXPTK-KRWDZBQOSA-N -1 0 344.367 2.930 20 5 EFBDRM Cc1cc(NCc2ccc([C@@H](C)O)c(C)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844213546 979372357 /nfs/dbraw/zinc/37/23/57/979372357.db2.gz IYAAVOPLYASXPS-LLVKDONJSA-N -1 0 345.355 2.970 20 5 EFBDRM CN(C)c1cccc(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000844213416 979372772 /nfs/dbraw/zinc/37/27/72/979372772.db2.gz XQVLNYMVIIWBHW-UHFFFAOYSA-N -1 0 343.383 2.924 20 5 EFBDRM C[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000844214366 979373863 /nfs/dbraw/zinc/37/38/63/979373863.db2.gz GATHYGZGXNGBIG-LRDDRELGSA-N -1 0 344.371 2.506 20 5 EFBDRM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844214764 979375032 /nfs/dbraw/zinc/37/50/32/979375032.db2.gz KNAOPOHKORDZHS-YMTOWFKASA-N -1 0 349.318 2.751 20 5 EFBDRM CN(CCOCc1ccccc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844215374 979376585 /nfs/dbraw/zinc/37/65/85/979376585.db2.gz PRNXXPJHDYXSIE-UHFFFAOYSA-N -1 0 344.367 2.875 20 5 EFBDRM C[C@]12CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000844215230 979377063 /nfs/dbraw/zinc/37/70/63/979377063.db2.gz FCZWHFYCIODGJE-OCCSQVGLSA-N -1 0 326.299 2.703 20 5 EFBDRM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844215946 979378063 /nfs/dbraw/zinc/37/80/63/979378063.db2.gz VGEZMRCLZSFTNL-IINYFYTJSA-N -1 0 334.328 2.739 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000844216666 979379524 /nfs/dbraw/zinc/37/95/24/979379524.db2.gz RVIRQSLNQMRPQF-INIZCTEOSA-N -1 0 336.413 2.945 20 5 EFBDRM CCC(CC)(NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595098177 979401016 /nfs/dbraw/zinc/40/10/16/979401016.db2.gz PHXIKLQPQHTAGF-UHFFFAOYSA-N -1 0 348.277 2.987 20 5 EFBDRM Cc1cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000849349432 979500173 /nfs/dbraw/zinc/50/01/73/979500173.db2.gz YODLEKILEKDZMP-JDICNCQASA-N -1 0 330.262 2.689 20 5 EFBDRM O=C([O-])Cc1ccc(N2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000851705916 979570130 /nfs/dbraw/zinc/57/01/30/979570130.db2.gz YSXCBAIJYRNIIW-HDICACEKSA-N -1 0 346.383 2.619 20 5 EFBDRM C[C@](Cc1ccc(F)cc1)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592854918 979658520 /nfs/dbraw/zinc/65/85/20/979658520.db2.gz XVGUWECDQLXHIH-QGZVFWFLSA-N -1 0 348.330 2.615 20 5 EFBDRM CC[C@@H](COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595177117 979774200 /nfs/dbraw/zinc/77/42/00/979774200.db2.gz NOLPYBGNLLZVSJ-ZJUUUORDSA-N -1 0 327.358 2.729 20 5 EFBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864165209 979788869 /nfs/dbraw/zinc/78/88/69/979788869.db2.gz 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CCC/C(C)=C\C(=O)OCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590543517 1093477917 /nfs/dbraw/zinc/47/79/17/1093477917.db2.gz NFOXZUSJSJYDNB-NTMALXAHSA-N -1 0 331.332 2.565 20 5 EFBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592848054 1094196284 /nfs/dbraw/zinc/19/62/84/1094196284.db2.gz LLPHFWVPMYKPCP-KRWDZBQOSA-N -1 0 346.314 2.550 20 5 EFBDRM Cc1c(CC(=O)NCC2(CC(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC001600010759 1094718560 /nfs/dbraw/zinc/71/85/60/1094718560.db2.gz BDEITFFKZVJNBV-UHFFFAOYSA-N -1 0 348.399 2.987 20 5 EFBDRM Cc1c(Cc2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)cccc1[N+](=O)[O-] ZINC001600012819 1094720041 /nfs/dbraw/zinc/72/00/41/1094720041.db2.gz HEDNNVURROKIIF-NWDGAFQWSA-N -1 0 331.328 2.845 20 5 EFBDRM Cc1c(CC(=O)Oc2cccc(CC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001600012115 1094720725 /nfs/dbraw/zinc/72/07/25/1094720725.db2.gz XPNWMWWGFXMZKI-UHFFFAOYSA-N -1 0 329.308 2.678 20 5 EFBDRM Cc1c(NC(=O)NC[C@H]2CCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042073 1094735601 /nfs/dbraw/zinc/73/56/01/1094735601.db2.gz CZBBMMZEZRHZTM-SNVBAGLBSA-N -1 0 339.373 2.619 20 5 EFBDRM Cc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cccc1N(C)C ZINC001600045256 1094739105 /nfs/dbraw/zinc/73/91/05/1094739105.db2.gz AKFHDSCZZRKRKR-UHFFFAOYSA-N -1 0 343.339 2.920 20 5 EFBDRM Cc1c(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044269 1094739386 /nfs/dbraw/zinc/73/93/86/1094739386.db2.gz JKJOIVBMSMZINF-VXNVDRBHSA-N -1 0 347.249 2.674 20 5 EFBDRM Cc1c(NC(=O)c2ccc(Cl)nc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046668 1094740364 /nfs/dbraw/zinc/74/03/64/1094740364.db2.gz HGEGMRRGUGIBLW-UHFFFAOYSA-N -1 0 335.703 2.902 20 5 EFBDRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600047626 1094740501 /nfs/dbraw/zinc/74/05/01/1094740501.db2.gz ZXDQLRTUBDZRTM-QWHCGFSZSA-N -1 0 341.323 2.739 20 5 EFBDRM Cc1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cnn1CC(=O)[O-] ZINC001600046669 1094740648 /nfs/dbraw/zinc/74/06/48/1094740648.db2.gz HHQDDBBXLMAQNE-UHFFFAOYSA-N -1 0 346.343 2.560 20 5 EFBDRM Cc1c(NC(=O)c2cc3cccn3cn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600045962 1094740886 /nfs/dbraw/zinc/74/08/86/1094740886.db2.gz ANPHNEGWYMQHKY-UHFFFAOYSA-N -1 0 340.295 2.501 20 5 EFBDRM Cc1c(NC(=O)c2cncc3[nH]ccc32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048721 1094742400 /nfs/dbraw/zinc/74/24/00/1094742400.db2.gz BQHAZCJEJXUXKX-UHFFFAOYSA-N -1 0 340.295 2.730 20 5 EFBDRM Cc1c(NC(=O)c2cncnc2C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049755 1094742650 /nfs/dbraw/zinc/74/26/50/1094742650.db2.gz WQBXUFNUFWKXRS-UHFFFAOYSA-N -1 0 342.311 2.521 20 5 EFBDRM Cc1c(OCC(=O)Nc2ccsc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600056307 1094744118 /nfs/dbraw/zinc/74/41/18/1094744118.db2.gz AIARYKBXHAMETJ-UHFFFAOYSA-N -1 0 336.325 2.680 20 5 EFBDRM Cc1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600085133 1094762373 /nfs/dbraw/zinc/76/23/73/1094762373.db2.gz GEAHODCUVXPOOC-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc(F)cnc2Cl)n1 ZINC001600106044 1094773596 /nfs/dbraw/zinc/77/35/96/1094773596.db2.gz XIQVMAAFZWKARS-UHFFFAOYSA-N -1 0 340.698 2.796 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(C)(CC(F)(F)F)C2)n1 ZINC001600105323 1094773877 /nfs/dbraw/zinc/77/38/77/1094773877.db2.gz MSVTWKCGAYZLKF-UHFFFAOYSA-N -1 0 333.266 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](c2ccccc2F)[C@@H](C)O)n1 ZINC001600105664 1094774008 /nfs/dbraw/zinc/77/40/08/1094774008.db2.gz YIHSLHISTRHMFY-NOZJJQNGSA-N -1 0 349.318 2.670 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC001600105110 1094774248 /nfs/dbraw/zinc/77/42/48/1094774248.db2.gz NPEIZDGHFAZEPW-DGCLKSJQSA-N -1 0 335.360 2.614 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCc3cccnc32)n1 ZINC001600105772 1094774296 /nfs/dbraw/zinc/77/42/96/1094774296.db2.gz MCZIJOBSEDUQPI-GFCCVEGCSA-N -1 0 328.328 2.881 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2ccc(-c3nnco3)cc2)n1 ZINC001600106820 1094775328 /nfs/dbraw/zinc/77/53/28/1094775328.db2.gz VMUNZGYRXHTRKC-UHFFFAOYSA-N -1 0 342.267 2.839 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cccc(CCCO)c2)n1 ZINC001600107098 1094776021 /nfs/dbraw/zinc/77/60/21/1094776021.db2.gz YVWQOMCDYQPVPE-UHFFFAOYSA-N -1 0 331.328 2.665 20 5 EFBDRM Cc1cc(C(=O)[O-])oc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001600135084 1094793668 /nfs/dbraw/zinc/79/36/68/1094793668.db2.gz YVNQQDZOJHRTNL-UHFFFAOYSA-N -1 0 348.311 2.617 20 5 EFBDRM Cc1cc([C@@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)oc1C(=O)[O-] ZINC001600149195 1094810313 /nfs/dbraw/zinc/81/03/13/1094810313.db2.gz INNAGLVNVWYWOV-SNVBAGLBSA-N -1 0 331.328 2.709 20 5 EFBDRM Cc1cc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600151754 1094814042 /nfs/dbraw/zinc/81/40/42/1094814042.db2.gz YMVOIIODMFZZDS-MRXNPFEDSA-N -1 0 346.314 2.527 20 5 EFBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001600155170 1094818269 /nfs/dbraw/zinc/81/82/69/1094818269.db2.gz 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EFBDRM Cc1cc(C)cc(OCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001600174957 1094839969 /nfs/dbraw/zinc/83/99/69/1094839969.db2.gz CLZDLRYSBDRVOZ-UHFFFAOYSA-N -1 0 331.328 2.796 20 5 EFBDRM Cc1cc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001600200624 1094871499 /nfs/dbraw/zinc/87/14/99/1094871499.db2.gz VVDZIGYUSDZVJV-UHFFFAOYSA-N -1 0 337.263 2.655 20 5 EFBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC001600212388 1094889953 /nfs/dbraw/zinc/88/99/53/1094889953.db2.gz RTSAJUTWHBSVHL-UHFFFAOYSA-N -1 0 332.312 2.903 20 5 EFBDRM Cc1cc(Cl)cc(C(=O)[O-])c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001600217466 1094893971 /nfs/dbraw/zinc/89/39/71/1094893971.db2.gz JEQAXGDQYAUEFS-UHFFFAOYSA-N -1 0 337.719 2.846 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001600217240 1094894219 /nfs/dbraw/zinc/89/42/19/1094894219.db2.gz YKPOHXQLRSQOCI-NSHDSACASA-N -1 0 328.752 2.786 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001600219187 1094896007 /nfs/dbraw/zinc/89/60/07/1094896007.db2.gz VKWXDAKUNRXRFD-UHFFFAOYSA-N -1 0 338.747 2.778 20 5 EFBDRM Cc1cc(N2CCC(O)(C3CCC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238482 1094910694 /nfs/dbraw/zinc/91/06/94/1094910694.db2.gz CRUWPDPOLKEZFG-UHFFFAOYSA-N -1 0 334.372 2.733 20 5 EFBDRM Cc1cc(N2CCC[C@@H]2c2ccnn2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241316 1094912164 /nfs/dbraw/zinc/91/21/64/1094912164.db2.gz FZBSFFSVSIVYSN-CQSZACIVSA-N -1 0 330.344 2.676 20 5 EFBDRM Cc1cc(N2CCC[C@@H](c3ccn(C)n3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241776 1094912876 /nfs/dbraw/zinc/91/28/76/1094912876.db2.gz OTWLZCPHIXPWLK-GFCCVEGCSA-N -1 0 344.371 2.719 20 5 EFBDRM Cc1cc(N2CCOc3ccc(O)cc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600242590 1094913079 /nfs/dbraw/zinc/91/30/79/1094913079.db2.gz XMTFGCYIGYUCRF-UHFFFAOYSA-N -1 0 344.323 2.706 20 5 EFBDRM Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001600269355 1094930412 /nfs/dbraw/zinc/93/04/12/1094930412.db2.gz HDQNROHQAIATQL-UHFFFAOYSA-N -1 0 343.339 2.966 20 5 EFBDRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])[nH]1 ZINC001600273137 1094933123 /nfs/dbraw/zinc/93/31/23/1094933123.db2.gz VEMURKAQSJMVFN-NWDGAFQWSA-N -1 0 329.312 2.672 20 5 EFBDRM Cc1oc(CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600272208 1094933636 /nfs/dbraw/zinc/93/36/36/1094933636.db2.gz TYFHUIKVSCLLBS-UHFFFAOYSA-N -1 0 333.300 2.825 20 5 EFBDRM Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278569 1094940592 /nfs/dbraw/zinc/94/05/92/1094940592.db2.gz WBRQNSWXKMKLOO-JKSUJKDBSA-N -1 0 328.324 2.672 20 5 EFBDRM Cc1cc(N[C@H]2c3ccccc3C[C@@H]2O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278567 1094940961 /nfs/dbraw/zinc/94/09/61/1094940961.db2.gz WBRQNSWXKMKLOO-HOTGVXAUSA-N -1 0 328.324 2.672 20 5 EFBDRM Cc1cc(NC[C@H](CO)c2ccc(F)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279179 1094941050 /nfs/dbraw/zinc/94/10/50/1094941050.db2.gz BFQBIECISUUUQE-GFCCVEGCSA-N -1 0 348.330 2.929 20 5 EFBDRM Cc1cc(NCCC(=O)N2CCC[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281086 1094942757 /nfs/dbraw/zinc/94/27/57/1094942757.db2.gz MMJSYLKXMNSOII-NSHDSACASA-N -1 0 349.387 2.662 20 5 EFBDRM Cc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1C(=O)[O-] ZINC001600282248 1094942848 /nfs/dbraw/zinc/94/28/48/1094942848.db2.gz GYJFJXKJQBYYCV-UHFFFAOYSA-N -1 0 344.323 2.985 20 5 EFBDRM Cc1cc(Nc2ccn(CC(F)F)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600285221 1094943695 /nfs/dbraw/zinc/94/36/95/1094943695.db2.gz ZFJYROWLXDMVGS-UHFFFAOYSA-N -1 0 326.259 2.807 20 5 EFBDRM Cc1cc(OCC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600291219 1094950077 /nfs/dbraw/zinc/95/00/77/1094950077.db2.gz MGYRZRIAUANJTK-ZDUSSCGKSA-N -1 0 339.344 2.715 20 5 EFBDRM Cc1cc(Oc2ccc(C(N)=O)cc2F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600291891 1094951908 /nfs/dbraw/zinc/95/19/08/1094951908.db2.gz CKDFMOQNAKNKLO-UHFFFAOYSA-N -1 0 334.259 2.632 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)OCc2cc(C(=O)[O-])ccc2C)n1 ZINC001600304131 1094955332 /nfs/dbraw/zinc/95/53/32/1094955332.db2.gz GKPWDHFGCHECDG-UHFFFAOYSA-N -1 0 330.296 2.662 20 5 EFBDRM Cc1cc(Sc2nnc3ccccn32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600303122 1094955529 /nfs/dbraw/zinc/95/55/29/1094955529.db2.gz GVHZASIMLXMDLT-UHFFFAOYSA-N -1 0 330.325 2.795 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC001600302512 1094955582 /nfs/dbraw/zinc/95/55/82/1094955582.db2.gz NBYUHHHBRAKMMO-VFZGTOFNSA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1cc(Sc2nnc(C(F)F)n2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600303595 1094955674 /nfs/dbraw/zinc/95/56/74/1094955674.db2.gz UDQFZORVVKQRAR-UHFFFAOYSA-N -1 0 344.299 2.819 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1OCc1cn2cccc(C(=O)[O-])c2n1 ZINC001600305124 1094957380 /nfs/dbraw/zinc/95/73/80/1094957380.db2.gz LKRRYDKERQVENO-UHFFFAOYSA-N -1 0 327.296 2.828 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001600304709 1094957408 /nfs/dbraw/zinc/95/74/08/1094957408.db2.gz HNLGEVISELJMGM-UHFFFAOYSA-N -1 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ZINC001608820591 1098032104 /nfs/dbraw/zinc/03/21/04/1098032104.db2.gz FBEIPIJVSIFTDH-MGCOHNPYSA-N -1 0 325.292 2.668 20 5 EFBDRM O=C([O-])c1c(Cl)c(N2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC001608830561 1098035400 /nfs/dbraw/zinc/03/54/00/1098035400.db2.gz SSCLKGBCEVXHFO-VIFPVBQESA-N -1 0 328.752 2.545 20 5 EFBDRM O=C([O-])c1c(Cl)c(N2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC001608830297 1098035413 /nfs/dbraw/zinc/03/54/13/1098035413.db2.gz JKIUOSXZHZNFMZ-UHFFFAOYSA-N -1 0 326.736 2.706 20 5 EFBDRM O=C([O-])c1c(Cl)c(N2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC001608830379 1098035613 /nfs/dbraw/zinc/03/56/13/1098035613.db2.gz MCAYTUXAMGKGFE-CQSZACIVSA-N -1 0 326.736 2.563 20 5 EFBDRM O=C([O-])c1c(Cl)c(N2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC001608830526 1098035754 /nfs/dbraw/zinc/03/57/54/1098035754.db2.gz RFSLVYCXGWJBRD-OAHLLOKOSA-N -1 0 340.763 2.953 20 5 EFBDRM O=C([O-])c1c(Cl)c(N2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC001608830660 1098036319 /nfs/dbraw/zinc/03/63/19/1098036319.db2.gz 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ZINC001608915346 1098070834 /nfs/dbraw/zinc/07/08/34/1098070834.db2.gz QJBXUZYGHXKLAL-CYBMUJFWSA-N -1 0 347.371 2.639 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc(Cl)cc3c2OCC3)n1 ZINC001608915054 1098070879 /nfs/dbraw/zinc/07/08/79/1098070879.db2.gz AYOVEMYLOHGWGX-UHFFFAOYSA-N -1 0 349.730 2.888 20 5 EFBDRM O=C([O-])c1cccc(OCc2ccc([N+](=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC001608937777 1098082161 /nfs/dbraw/zinc/08/21/61/1098082161.db2.gz QVVZEXHLGBCJHI-UHFFFAOYSA-N -1 0 336.231 2.919 20 5 EFBDRM O=C([O-])c1cccc2c1CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC001608940936 1098084143 /nfs/dbraw/zinc/08/41/43/1098084143.db2.gz YIELWDUMPMBPEG-UHFFFAOYSA-N -1 0 338.323 2.732 20 5 EFBDRM O=C([O-])c1cnoc1COc1cccc(Br)c1[N+](=O)[O-] ZINC001608985134 1098099031 /nfs/dbraw/zinc/09/90/31/1098099031.db2.gz RPONQNYPHZCMLZ-UHFFFAOYSA-N -1 0 343.089 2.623 20 5 EFBDRM O=C([O-])c1coc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC001608987439 1098099771 /nfs/dbraw/zinc/09/97/71/1098099771.db2.gz PVUVWXOTXAKCPD-AATRIKPKSA-N -1 0 342.307 2.879 20 5 EFBDRM O=Cc1ccc(OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(F)c1F ZINC001609049615 1098122145 /nfs/dbraw/zinc/12/21/45/1098122145.db2.gz AKPNISOHPQWKLW-UHFFFAOYSA-N -1 0 337.234 2.963 20 5 EFBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001609628331 1098409429 /nfs/dbraw/zinc/40/94/29/1098409429.db2.gz OWECFJBBTLMUGQ-HNNXBMFYSA-N -1 0 345.307 2.608 20 5 EFBDRM CC(C)(C)c1nc(NC(=O)CCC(C)(C)[N+](=O)[O-])sc1C(=O)[O-] ZINC001609671325 1098422184 /nfs/dbraw/zinc/42/21/84/1098422184.db2.gz KEMZGLKFANEFJY-UHFFFAOYSA-N -1 0 343.405 2.913 20 5 EFBDRM CC(C)C[C@H](C)N(C)C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609692523 1098429498 /nfs/dbraw/zinc/42/94/98/1098429498.db2.gz SGFWUZQPKDGMCG-NSHDSACASA-N -1 0 338.360 2.565 20 5 EFBDRM CC(C)CCO[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609696788 1098430243 /nfs/dbraw/zinc/43/02/43/1098430243.db2.gz ROUYSVYDNMNYFK-JTQLQIEISA-N -1 0 325.317 2.650 20 5 EFBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001609701622 1098431480 /nfs/dbraw/zinc/43/14/80/1098431480.db2.gz YNODFTAIDILTNR-LBPRGKRZSA-N -1 0 328.752 2.820 20 5 EFBDRM CC(C)Oc1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001609712373 1098434797 /nfs/dbraw/zinc/43/47/97/1098434797.db2.gz AZQNLOQBODPHRF-UHFFFAOYSA-N -1 0 338.360 2.707 20 5 EFBDRM CC(C)c1ccc(C(=O)NCCSCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609719590 1098436336 /nfs/dbraw/zinc/43/63/36/1098436336.db2.gz RZBIRANCGWBHOT-UHFFFAOYSA-N -1 0 340.401 2.656 20 5 EFBDRM C[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC001609746144 1098444521 /nfs/dbraw/zinc/44/45/21/1098444521.db2.gz CHINGLPVZLHCGK-SECBINFHSA-N -1 0 338.751 2.891 20 5 EFBDRM C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC001609746145 1098444572 /nfs/dbraw/zinc/44/45/72/1098444572.db2.gz CHINGLPVZLHCGK-VIFPVBQESA-N -1 0 338.751 2.891 20 5 EFBDRM C[C@@](O)(CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C(F)(F)F ZINC001609785589 1098457015 /nfs/dbraw/zinc/45/70/15/1098457015.db2.gz PJXILNYIOZUMAP-SNVBAGLBSA-N -1 0 342.657 2.672 20 5 EFBDRM C[C@H](OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609795579 1098459964 /nfs/dbraw/zinc/45/99/64/1098459964.db2.gz BFRVSVKXYZVAOL-NSHDSACASA-N -1 0 345.307 2.804 20 5 EFBDRM CC1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001609821095 1098467893 /nfs/dbraw/zinc/46/78/93/1098467893.db2.gz WDVFCOBAXLJFMF-LBPRGKRZSA-N -1 0 338.385 2.690 20 5 EFBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001609831086 1098471284 /nfs/dbraw/zinc/47/12/84/1098471284.db2.gz ASJTXGOHEJCUCW-VXNVDRBHSA-N -1 0 346.261 2.549 20 5 EFBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001609837242 1098473089 /nfs/dbraw/zinc/47/30/89/1098473089.db2.gz XEJWFJXDWFFCTI-APPZFPTMSA-N -1 0 327.724 2.575 20 5 EFBDRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609853287 1098477193 /nfs/dbraw/zinc/47/71/93/1098477193.db2.gz 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CCO[C@@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])[C@H]1OC ZINC001610033215 1098525742 /nfs/dbraw/zinc/52/57/42/1098525742.db2.gz VVCATAZOCZIFHK-RAIGVLPGSA-N -1 0 344.751 2.551 20 5 EFBDRM CCO[C@@H]1C[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])[C@H]1OC ZINC001610034137 1098526023 /nfs/dbraw/zinc/52/60/23/1098526023.db2.gz ZSHUUAYDBPSQNC-DMDPSCGWSA-N -1 0 344.751 2.551 20 5 EFBDRM CCO[C@@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])[C@H]1OC ZINC001610033213 1098526210 /nfs/dbraw/zinc/52/62/10/1098526210.db2.gz VVCATAZOCZIFHK-CYZMBNFOSA-N -1 0 344.751 2.551 20 5 EFBDRM CCOc1cc(COC(=O)c2occc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610040037 1098528114 /nfs/dbraw/zinc/52/81/14/1098528114.db2.gz SAFHCNDFRRKIDB-UHFFFAOYSA-N -1 0 335.268 2.642 20 5 EFBDRM CCOc1cc(NCc2c(C)nn(CC(=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC001610041610 1098528898 /nfs/dbraw/zinc/52/88/98/1098528898.db2.gz VDUZWVRRFRJKOU-UHFFFAOYSA-N -1 0 348.359 2.504 20 5 EFBDRM CC[C@H]1CC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 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ZSDQRCSQVGQNQV-UHFFFAOYSA-N -1 0 348.334 2.766 20 5 EFBDRM CN(CCOc1ccccc1F)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610116805 1098551375 /nfs/dbraw/zinc/55/13/75/1098551375.db2.gz HRZWTHXWQFSLBY-UHFFFAOYSA-N -1 0 334.303 2.947 20 5 EFBDRM CN(Cc1cc(F)c(F)c(F)c1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610118204 1098551548 /nfs/dbraw/zinc/55/15/48/1098551548.db2.gz MWEFOZDPZNUDEX-UHFFFAOYSA-N -1 0 341.245 2.742 20 5 EFBDRM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC001610118650 1098552265 /nfs/dbraw/zinc/55/22/65/1098552265.db2.gz XXNKNVGNSAWKET-OAHLLOKOSA-N -1 0 344.371 2.536 20 5 EFBDRM CNc1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC001610148133 1098557066 /nfs/dbraw/zinc/55/70/66/1098557066.db2.gz PXOIVCKYLAKZFB-AWEZNQCLSA-N -1 0 348.286 2.758 20 5 EFBDRM CNc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001610147246 1098557655 /nfs/dbraw/zinc/55/76/55/1098557655.db2.gz FYBFMWKWSBSIPC-UHFFFAOYSA-N -1 0 329.312 2.516 20 5 EFBDRM COC(=O)[C@H](C)CSc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610153057 1098557970 /nfs/dbraw/zinc/55/79/70/1098557970.db2.gz NYHNBVDWPNEIME-ZCFIWIBFSA-N -1 0 333.749 2.848 20 5 EFBDRM COCc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001610269847 1098594219 /nfs/dbraw/zinc/59/42/19/1098594219.db2.gz DEIUTBTWLCVVOR-UHFFFAOYSA-N -1 0 348.286 2.831 20 5 EFBDRM COc1c(C(=O)OCc2ccc(C(=O)[O-])cc2F)cccc1[N+](=O)[O-] ZINC001610276123 1098597141 /nfs/dbraw/zinc/59/71/41/1098597141.db2.gz XVNROQIVWSDDGL-UHFFFAOYSA-N -1 0 349.270 2.798 20 5 EFBDRM COc1cc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610289269 1098604156 /nfs/dbraw/zinc/60/41/56/1098604156.db2.gz NFFTUDSSGMZLJT-ZDUSSCGKSA-N -1 0 339.344 2.958 20 5 EFBDRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC001610353620 1098633540 /nfs/dbraw/zinc/63/35/40/1098633540.db2.gz IAXVPHZPPQNXDU-UHFFFAOYSA-N -1 0 334.259 2.693 20 5 EFBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001610353592 1098633786 /nfs/dbraw/zinc/63/37/86/1098633786.db2.gz GLHQPVHVOMFWQF-UHFFFAOYSA-N -1 0 344.323 2.887 20 5 EFBDRM COc1cccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001610357619 1098638190 /nfs/dbraw/zinc/63/81/90/1098638190.db2.gz LWLQDGWXNOEERR-UHFFFAOYSA-N -1 0 331.280 2.659 20 5 EFBDRM COc1ccccc1C[C@H](CNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001610366217 1098641925 /nfs/dbraw/zinc/64/19/25/1098641925.db2.gz GQTVMFYSVJMNBM-CYBMUJFWSA-N -1 0 330.340 2.959 20 5 EFBDRM Cc1[nH]c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001610404756 1098659775 /nfs/dbraw/zinc/65/97/75/1098659775.db2.gz PHUACNPWUSIBMD-UHFFFAOYSA-N -1 0 336.275 2.734 20 5 EFBDRM Cc1c(NC(=O)NCCc2ccco2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423985 1098668905 /nfs/dbraw/zinc/66/89/05/1098668905.db2.gz RARAOMNKQXKKHA-UHFFFAOYSA-N -1 0 333.300 2.559 20 5 EFBDRM Cc1c(NC(=O)c2cnn(CC(C)C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425247 1098670330 /nfs/dbraw/zinc/67/03/30/1098670330.db2.gz JUNKWSNGRUWMDZ-UHFFFAOYSA-N 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C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000432185627 279813725 /nfs/dbraw/zinc/81/37/25/279813725.db2.gz IRXGWQZERWMKGT-VIFPVBQESA-N -1 0 332.287 2.867 20 5 EFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000360043505 280259626 /nfs/dbraw/zinc/25/96/26/280259626.db2.gz ZNUNWNBKZIGVSY-UHFFFAOYSA-N -1 0 347.396 2.978 20 5 EFBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000436651566 281973813 /nfs/dbraw/zinc/97/38/13/281973813.db2.gz GOLBJWJORZBJBG-UHFFFAOYSA-N -1 0 346.343 2.992 20 5 EFBDRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000078001552 292771219 /nfs/dbraw/zinc/77/12/19/292771219.db2.gz YPQITUDGTNDJOS-UHFFFAOYSA-N -1 0 331.353 2.887 20 5 EFBDRM COCc1nc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1 ZINC000119149333 292901678 /nfs/dbraw/zinc/90/16/78/292901678.db2.gz YTHYOEXNDQEINA-UHFFFAOYSA-N -1 0 343.295 2.840 20 5 EFBDRM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119244476 292903612 /nfs/dbraw/zinc/90/36/12/292903612.db2.gz MUWQGERGYKXHAN-AWEZNQCLSA-N -1 0 330.340 2.544 20 5 EFBDRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125454579 293010906 /nfs/dbraw/zinc/01/09/06/293010906.db2.gz OPZCAPAXUXHYDE-DYVFJYSZSA-N -1 0 342.351 2.951 20 5 EFBDRM CCCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000127318633 293065624 /nfs/dbraw/zinc/06/56/24/293065624.db2.gz AVBMGYLPKYXELW-UHFFFAOYSA-N -1 0 345.377 2.944 20 5 EFBDRM Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127827327 293083024 /nfs/dbraw/zinc/08/30/24/293083024.db2.gz VUOOWSDKMLHXFH-UHFFFAOYSA-N -1 0 335.385 2.770 20 5 EFBDRM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000128190592 293094136 /nfs/dbraw/zinc/09/41/36/293094136.db2.gz AWXDTTYRKFRPMR-UHFFFAOYSA-N -1 0 326.305 2.543 20 5 EFBDRM CC(C)c1nc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000130472372 293166683 /nfs/dbraw/zinc/16/66/83/293166683.db2.gz SNHRCTLGMRUEEX-UHFFFAOYSA-N -1 0 335.385 2.853 20 5 EFBDRM CN(CCN(C)c1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000133865936 293271117 /nfs/dbraw/zinc/27/11/17/293271117.db2.gz ALJUIRIMNUKKKQ-UHFFFAOYSA-N -1 0 329.356 2.509 20 5 EFBDRM COCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121966709 293317411 /nfs/dbraw/zinc/31/74/11/293317411.db2.gz VLDOKJOIPWTLQL-UHFFFAOYSA-N -1 0 340.332 2.681 20 5 EFBDRM COCc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055595192 293317702 /nfs/dbraw/zinc/31/77/02/293317702.db2.gz YFWNWYSHUAKWPF-UHFFFAOYSA-N -1 0 336.369 2.850 20 5 EFBDRM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000155101981 293455266 /nfs/dbraw/zinc/45/52/66/293455266.db2.gz MEIKAUIDAQKHAR-UHFFFAOYSA-N -1 0 345.286 2.577 20 5 EFBDRM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000182068150 293542544 /nfs/dbraw/zinc/54/25/44/293542544.db2.gz OIXQLZDWFROBGE-HNNXBMFYSA-N -1 0 334.303 2.557 20 5 EFBDRM Cc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000158913726 293588282 /nfs/dbraw/zinc/58/82/82/293588282.db2.gz SDCTWGIPDXUXQT-UHFFFAOYSA-N -1 0 336.369 2.742 20 5 EFBDRM Cc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000158909006 293588375 /nfs/dbraw/zinc/58/83/75/293588375.db2.gz XSXJIEXOHPIAGE-UHFFFAOYSA-N -1 0 340.332 2.857 20 5 EFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000158904467 293588644 /nfs/dbraw/zinc/58/86/44/293588644.db2.gz DLCKISMDHHSHKZ-UHFFFAOYSA-N -1 0 326.305 2.549 20 5 EFBDRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000254942331 293826068 /nfs/dbraw/zinc/82/60/68/293826068.db2.gz LREBFKKMVBHODV-CDNLZTBQSA-N -1 0 338.319 2.823 20 5 EFBDRM O=C([N-]C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290774937 294181817 /nfs/dbraw/zinc/18/18/17/294181817.db2.gz VVDOOYAYLKSMGB-VIFPVBQESA-N -1 0 349.284 2.629 20 5 EFBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000293768767 295045101 /nfs/dbraw/zinc/04/51/01/295045101.db2.gz NKXNXJYIHMKBDJ-OAHLLOKOSA-N -1 0 327.340 2.919 20 5 EFBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000293768765 295045128 /nfs/dbraw/zinc/04/51/28/295045128.db2.gz NKXNXJYIHMKBDJ-HNNXBMFYSA-N -1 0 327.340 2.919 20 5 EFBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1OCCc2sccc21 ZINC000294406919 295161525 /nfs/dbraw/zinc/16/15/25/295161525.db2.gz XHSNFPCPZOIMGG-PSLIRLAXSA-N -1 0 348.380 2.794 20 5 EFBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000294474334 295173007 /nfs/dbraw/zinc/17/30/07/295173007.db2.gz BEKGBGQFVUAUKR-RFAUZJTJSA-N -1 0 348.380 2.794 20 5 EFBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000294686222 295207844 /nfs/dbraw/zinc/20/78/44/295207844.db2.gz PWVRMXRQKDERAR-PSLIRLAXSA-N -1 0 348.380 2.794 20 5 EFBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000294772372 295224972 /nfs/dbraw/zinc/22/49/72/295224972.db2.gz YIXAAEHHUDSTGL-PSLIRLAXSA-N -1 0 348.380 2.794 20 5 EFBDRM C[C@@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000375813011 297168145 /nfs/dbraw/zinc/16/81/45/297168145.db2.gz JZDKPZMONICNRZ-LLVKDONJSA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000263218954 297216420 /nfs/dbraw/zinc/21/64/20/297216420.db2.gz OQJIOLBMIRWBEJ-RKDXNWHRSA-N -1 0 343.177 2.904 20 5 EFBDRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000184779278 297296970 /nfs/dbraw/zinc/29/69/70/297296970.db2.gz VSBLBFUZLDQQMS-ABAIWWIYSA-N -1 0 327.340 2.919 20 5 EFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000263233873 297343958 /nfs/dbraw/zinc/34/39/58/297343958.db2.gz QVSAWHVFFJHXOB-BDAKNGLRSA-N -1 0 343.177 2.904 20 5 EFBDRM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436743962 297653518 /nfs/dbraw/zinc/65/35/18/297653518.db2.gz IHCRBBWPCHYTAT-RMLUDKJBSA-N -1 0 332.287 2.692 20 5 EFBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])OCCc2sccc21 ZINC000436593501 297898677 /nfs/dbraw/zinc/89/86/77/297898677.db2.gz BGLHBUFXQMCYJL-INIZCTEOSA-N -1 0 348.380 2.580 20 5 EFBDRM C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179540386 300226544 /nfs/dbraw/zinc/22/65/44/300226544.db2.gz WHIQORAFTDHRJM-LBPRGKRZSA-N -1 0 341.367 2.781 20 5 EFBDRM C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000157627025 300227223 /nfs/dbraw/zinc/22/72/23/300227223.db2.gz OPDBLNLKSYLHHE-LBPRGKRZSA-N -1 0 341.367 2.781 20 5 EFBDRM C[C@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000373484643 300370104 /nfs/dbraw/zinc/37/01/04/300370104.db2.gz YHBPVBNCJZXECW-NSHDSACASA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000366223921 300646906 /nfs/dbraw/zinc/64/69/06/300646906.db2.gz YTKSLUAZQQGTGF-CLAHSXSESA-N -1 0 332.287 2.692 20 5 EFBDRM C[C@]1(C(=O)[O-])CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000062933027 300785257 /nfs/dbraw/zinc/78/52/57/300785257.db2.gz LQDIIILARKOBOV-LBPRGKRZSA-N -1 0 329.150 2.658 20 5 EFBDRM Cc1c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261978516 300936563 /nfs/dbraw/zinc/93/65/63/300936563.db2.gz ZWWWFMQIOSZTSG-GLQYFDAESA-N -1 0 332.356 2.761 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000263281844 301202267 /nfs/dbraw/zinc/20/22/67/301202267.db2.gz SCGNSDSDXNCGKO-CYBMUJFWSA-N -1 0 346.383 2.847 20 5 EFBDRM Cc1cc(F)cc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1[N+](=O)[O-] ZINC000262970390 301299845 /nfs/dbraw/zinc/29/98/45/301299845.db2.gz MQHFEZPLKXUDIJ-MRXNPFEDSA-N -1 0 338.335 2.615 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(F)c2)c1C ZINC000337305209 301861484 /nfs/dbraw/zinc/86/14/84/301861484.db2.gz SQZSGAGHUDWJGG-UHFFFAOYSA-N -1 0 325.321 2.547 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354630505 302047452 /nfs/dbraw/zinc/04/74/52/302047452.db2.gz CBLBQQBTDWKTMB-UHFFFAOYSA-N -1 0 338.307 2.667 20 5 EFBDRM Cc1nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2n1C ZINC000356562399 302663125 /nfs/dbraw/zinc/66/31/25/302663125.db2.gz DHISCXAKWMGCMM-UHFFFAOYSA-N -1 0 326.312 2.748 20 5 EFBDRM Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2c1cccc2F ZINC000436891691 302896884 /nfs/dbraw/zinc/89/68/84/302896884.db2.gz YIAFGTQSPYBWKH-UHFFFAOYSA-N -1 0 330.275 2.579 20 5 EFBDRM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436729901 303809447 /nfs/dbraw/zinc/80/94/47/303809447.db2.gz UJMQILZCTKJGII-DYVFJYSZSA-N -1 0 342.351 2.808 20 5 EFBDRM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123948085 303877227 /nfs/dbraw/zinc/87/72/27/303877227.db2.gz AQGAGQKVXNPUSW-GFCCVEGCSA-N -1 0 334.372 2.912 20 5 EFBDRM CCOc1cc(NCCc2nc(C(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC000321271044 311238473 /nfs/dbraw/zinc/23/84/73/311238473.db2.gz RWIICAINBHZXBV-UHFFFAOYSA-N -1 0 337.357 2.803 20 5 EFBDRM O=C([O-])CCC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000323756951 311240587 /nfs/dbraw/zinc/24/05/87/311240587.db2.gz UMTROSDPQYRGQF-UHFFFAOYSA-N -1 0 336.373 2.681 20 5 EFBDRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000323842790 311240868 /nfs/dbraw/zinc/24/08/68/311240868.db2.gz KMLJANPGKXVBEF-YFHOEESVSA-N -1 0 326.308 2.874 20 5 EFBDRM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000324355827 311241561 /nfs/dbraw/zinc/24/15/61/311241561.db2.gz GUSVECNRCCTGDD-LLVKDONJSA-N -1 0 338.360 2.816 20 5 EFBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000324469128 311241893 /nfs/dbraw/zinc/24/18/93/311241893.db2.gz GPLJHOLNWZFLHH-LBIZBFCRSA-N -1 0 332.356 2.854 20 5 EFBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000324450320 311241959 /nfs/dbraw/zinc/24/19/59/311241959.db2.gz GBQUIOKKFXLHLD-QQBNSCQMSA-N -1 0 332.356 2.854 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000326555720 311244302 /nfs/dbraw/zinc/24/43/02/311244302.db2.gz UTIRCPSQQQDLBV-ZDUSSCGKSA-N -1 0 348.277 2.577 20 5 EFBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000326729254 311244652 /nfs/dbraw/zinc/24/46/52/311244652.db2.gz DSKWDGXXMUTOLQ-YFHOEESVSA-N -1 0 340.335 2.965 20 5 EFBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000326761262 311244686 /nfs/dbraw/zinc/24/46/86/311244686.db2.gz OHZLCYBDTBUDSB-IJEKYONASA-N -1 0 344.367 2.852 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000327349228 311245240 /nfs/dbraw/zinc/24/52/40/311245240.db2.gz LHTYWABFYUSXTQ-INIZCTEOSA-N -1 0 342.351 2.615 20 5 EFBDRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000327476244 311245246 /nfs/dbraw/zinc/24/52/46/311245246.db2.gz KVAUFLDEQMBCEZ-SCOAYWHSSA-N -1 0 340.335 2.593 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000327917818 311245321 /nfs/dbraw/zinc/24/53/21/311245321.db2.gz CKYCKZNWQBWPRI-UHFFFAOYSA-N -1 0 342.351 2.860 20 5 EFBDRM 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ZINC001594392133 958740029 /nfs/dbraw/zinc/74/00/29/958740029.db2.gz DBPQMRUDWKQCKV-OAHLLOKOSA-N -1 0 346.314 2.906 20 5 EFBDRM CC(C)(NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001573483595 958980826 /nfs/dbraw/zinc/98/08/26/958980826.db2.gz ZZFLUNVUFNGFSX-BQYQJAHWSA-N -1 0 344.323 2.951 20 5 EFBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc([N+](=O)[O-])cc1F ZINC001588556849 959058419 /nfs/dbraw/zinc/05/84/19/959058419.db2.gz AISHQFNZYHPHNY-QMMMGPOBSA-N -1 0 333.275 2.569 20 5 EFBDRM CSc1cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001594193201 959176241 /nfs/dbraw/zinc/17/62/41/959176241.db2.gz NYSQXYLEZBADDH-JTQLQIEISA-N -1 0 340.401 2.793 20 5 EFBDRM CSc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001594193399 959178264 /nfs/dbraw/zinc/17/82/64/959178264.db2.gz REDJTCVXNLXCJU-MWLCHTKSSA-N -1 0 338.385 2.785 20 5 EFBDRM O=C([O-])c1cnc(Oc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC000162326568 959208055 /nfs/dbraw/zinc/20/80/55/959208055.db2.gz 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C[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001573592199 959404937 /nfs/dbraw/zinc/40/49/37/959404937.db2.gz VCOZDIRKWXNPCR-NHYWBVRUSA-N -1 0 334.372 2.706 20 5 EFBDRM C[C@@H](C(=O)[O-])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC001588599767 959406579 /nfs/dbraw/zinc/40/65/79/959406579.db2.gz FSYNTIRNZLOEDY-SNVBAGLBSA-N -1 0 346.343 2.823 20 5 EFBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001588601805 959428117 /nfs/dbraw/zinc/42/81/17/959428117.db2.gz BGVKJEHGPMYJTP-SECBINFHSA-N -1 0 335.319 2.919 20 5 EFBDRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001573600372 959436155 /nfs/dbraw/zinc/43/61/55/959436155.db2.gz PBWNPIMGLOUGSM-NSHDSACASA-N -1 0 328.324 2.827 20 5 EFBDRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001588607570 959489758 /nfs/dbraw/zinc/48/97/58/959489758.db2.gz LIAZVRUZMOPXFC-ZDUSSCGKSA-N -1 0 348.399 2.976 20 5 EFBDRM CC(C)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001588607789 959495355 /nfs/dbraw/zinc/49/53/55/959495355.db2.gz QZMUWMSNNGWGEY-GFCCVEGCSA-N -1 0 334.372 2.586 20 5 EFBDRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001594234793 959502583 /nfs/dbraw/zinc/50/25/83/959502583.db2.gz NGARGAJJQVBHDD-RNKPRXRFSA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001594235570 959509223 /nfs/dbraw/zinc/50/92/23/959509223.db2.gz OUGUGPBPRBFUBY-NSHDSACASA-N -1 0 343.339 2.853 20 5 EFBDRM C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001594240676 959528639 /nfs/dbraw/zinc/52/86/39/959528639.db2.gz LLVSTHPTYQRYDM-FGEFZZPRSA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@](NCc1nc2cc([N+](=O)[O-])ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001573630447 959548070 /nfs/dbraw/zinc/54/80/70/959548070.db2.gz INZSNLVWTNTUSI-QGZVFWFLSA-N -1 0 341.323 2.826 20 5 EFBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001573664297 959681767 /nfs/dbraw/zinc/68/17/67/959681767.db2.gz 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CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001573820869 960953714 /nfs/dbraw/zinc/95/37/14/960953714.db2.gz OVVVCEKVNPWSHX-OAHLLOKOSA-N -1 0 339.323 2.843 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC001574344132 960956875 /nfs/dbraw/zinc/95/68/75/960956875.db2.gz BGKQPBPSWUNMHO-LLVKDONJSA-N -1 0 328.752 2.786 20 5 EFBDRM CS[C@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001324945982 961047252 /nfs/dbraw/zinc/04/72/52/961047252.db2.gz QILNDQFLVZALMN-AAEUAGOBSA-N -1 0 338.385 2.649 20 5 EFBDRM CN(C)c1ccc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001326373671 961086021 /nfs/dbraw/zinc/08/60/21/961086021.db2.gz ZAOHBVYCMUIRPN-UHFFFAOYSA-N -1 0 343.383 2.943 20 5 EFBDRM Cc1cccc([C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001574388716 961151494 /nfs/dbraw/zinc/15/14/94/961151494.db2.gz KOKAQDIIBSFSRC-JEZWAEDTSA-N -1 0 340.335 2.859 20 5 EFBDRM CC(C)(C)c1ccc(C(=O)Nc2n[nH]cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001588739798 961161325 /nfs/dbraw/zinc/16/13/25/961161325.db2.gz VBWGYRKSCGIXAF-UHFFFAOYSA-N -1 0 332.316 2.566 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001328606736 961218345 /nfs/dbraw/zinc/21/83/45/961218345.db2.gz PVVHWGCABDROCC-NWDGAFQWSA-N -1 0 349.293 2.573 20 5 EFBDRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1[N+](=O)[O-] ZINC001588789417 961357184 /nfs/dbraw/zinc/35/71/84/961357184.db2.gz SWQDIXFFXHHHNF-UHFFFAOYSA-N -1 0 344.327 2.745 20 5 EFBDRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001588803101 961438912 /nfs/dbraw/zinc/43/89/12/961438912.db2.gz MLQBUDCFPKFMMZ-DZGCQCFKSA-N -1 0 334.372 2.658 20 5 EFBDRM O=C([O-])COc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001333136218 961650545 /nfs/dbraw/zinc/65/05/45/961650545.db2.gz ICYAUMWZERGNKE-UHFFFAOYSA-N -1 0 342.351 2.617 20 5 EFBDRM CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(=O)[O-] ZINC001588829867 961694578 /nfs/dbraw/zinc/69/45/78/961694578.db2.gz 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CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC001588946833 962558497 /nfs/dbraw/zinc/55/84/97/962558497.db2.gz OYUCMJUFJLDJKQ-CQSZACIVSA-N -1 0 331.328 2.979 20 5 EFBDRM O=C([O-])CCCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001574700171 962677953 /nfs/dbraw/zinc/67/79/53/962677953.db2.gz CPROHGCYQVUWMS-UHFFFAOYSA-N -1 0 346.286 2.571 20 5 EFBDRM O=C([O-])CCCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001574700421 962681838 /nfs/dbraw/zinc/68/18/38/962681838.db2.gz ZQILWTXHBIOUHZ-UHFFFAOYSA-N -1 0 342.779 2.942 20 5 EFBDRM O=C([O-])CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC001574709269 962695864 /nfs/dbraw/zinc/69/58/64/962695864.db2.gz BBQBYNJYQGULGU-UHFFFAOYSA-N -1 0 340.763 2.647 20 5 EFBDRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001573381063 963111686 /nfs/dbraw/zinc/11/16/86/963111686.db2.gz BBSFTJNBDVFCJB-UHFFFAOYSA-N -1 0 347.302 2.743 20 5 EFBDRM C[C@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000693448374 968933971 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AYYAEZPCMMWUMI-LBPRGKRZSA-N -1 0 344.352 2.707 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC001605171357 972873715 /nfs/dbraw/zinc/87/37/15/972873715.db2.gz XPFPHVLLWZIHTE-NXEZZACHSA-N -1 0 340.763 2.882 20 5 EFBDRM O=C([O-])[C@]1(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC=CCC1 ZINC001605944473 972901828 /nfs/dbraw/zinc/90/18/28/972901828.db2.gz TZBWSKYHJMBGOC-QGZVFWFLSA-N -1 0 341.323 2.893 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC001605224258 972974189 /nfs/dbraw/zinc/97/41/89/972974189.db2.gz ARQUYAZEHSVWQQ-JTQLQIEISA-N -1 0 340.763 2.884 20 5 EFBDRM Cc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])c1 ZINC001605328784 973187867 /nfs/dbraw/zinc/18/78/67/973187867.db2.gz QGPIUUVCSXZEMQ-AWEZNQCLSA-N -1 0 332.287 2.598 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001606116624 973342532 /nfs/dbraw/zinc/34/25/32/973342532.db2.gz JXABMFFTCOLMDX-NUEKZKHPSA-N -1 0 346.383 2.944 20 5 EFBDRM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001606441505 973889769 /nfs/dbraw/zinc/88/97/69/973889769.db2.gz XRCUWUMEWFFMJH-NSHDSACASA-N -1 0 340.763 2.504 20 5 EFBDRM COc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001604721466 973924649 /nfs/dbraw/zinc/92/46/49/973924649.db2.gz AKYGGYFYXNBGFL-BDAKNGLRSA-N -1 0 328.752 2.804 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1 ZINC001606496162 973985426 /nfs/dbraw/zinc/98/54/26/973985426.db2.gz ZTGJMTWDFGMOKD-UHFFFAOYSA-N -1 0 341.323 2.748 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1 ZINC001606501009 973987912 /nfs/dbraw/zinc/98/79/12/973987912.db2.gz UFNMLRMNBMSJIP-UHFFFAOYSA-N -1 0 342.311 2.515 20 5 EFBDRM O=C([O-])c1ccccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001606522820 974023187 /nfs/dbraw/zinc/02/31/87/974023187.db2.gz KJFHTCGYGYEGHK-UHFFFAOYSA-N -1 0 341.323 2.883 20 5 EFBDRM O=C([O-])c1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC001606522965 974023763 /nfs/dbraw/zinc/02/37/63/974023763.db2.gz SDHHLQNNQRWYQU-UHFFFAOYSA-N -1 0 330.325 2.910 20 5 EFBDRM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1[N+](=O)[O-] ZINC001604856853 974099807 /nfs/dbraw/zinc/09/98/07/974099807.db2.gz DATHPAUKQKUTDK-UHFFFAOYSA-N -1 0 330.296 2.862 20 5 EFBDRM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C(=O)[O-])c1 ZINC001591787946 975966156 /nfs/dbraw/zinc/96/61/56/975966156.db2.gz IEQGKYPOCWYPHH-UHFFFAOYSA-N -1 0 333.300 2.661 20 5 EFBDRM CC(C)c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591967523 976564729 /nfs/dbraw/zinc/56/47/29/976564729.db2.gz DIZHVCLVPDWPNH-UHFFFAOYSA-N -1 0 345.311 2.769 20 5 EFBDRM CC(C)c1nc(NC(=O)c2ccc([N+](=O)[O-])o2)sc1C(=O)[O-] ZINC001592028339 976726404 /nfs/dbraw/zinc/72/64/04/976726404.db2.gz CFLMBYDXSWTCLE-UHFFFAOYSA-N -1 0 325.302 2.718 20 5 EFBDRM CC(C)c1nnc(Sc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1C ZINC001592075348 976822754 /nfs/dbraw/zinc/82/27/54/976822754.db2.gz FUNRORHCCSRLKZ-UHFFFAOYSA-N -1 0 336.373 2.625 20 5 EFBDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC001592309787 977681245 /nfs/dbraw/zinc/68/12/45/977681245.db2.gz YWOQYOVUQXLAHR-CQSZACIVSA-N -1 0 326.736 2.621 20 5 EFBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592310618 977682894 /nfs/dbraw/zinc/68/28/94/977682894.db2.gz CSYKUTHQGKHXHM-KRWDZBQOSA-N -1 0 346.314 2.854 20 5 EFBDRM C[C@@H](CC(=O)[O-])c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC001592424141 978044131 /nfs/dbraw/zinc/04/41/31/978044131.db2.gz NSQVIABGKPRNCU-QMMMGPOBSA-N -1 0 330.300 2.628 20 5 EFBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001592605101 978548931 /nfs/dbraw/zinc/54/89/31/978548931.db2.gz GNONSLQTELVVOQ-ZDUSSCGKSA-N -1 0 342.351 2.958 20 5 EFBDRM O=C([O-])c1ccnc(NCc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000738692981 978590064 /nfs/dbraw/zinc/59/00/64/978590064.db2.gz NCLXQBCJSCHUSJ-UHFFFAOYSA-N -1 0 330.325 2.910 20 5 EFBDRM C[C@@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592661098 978646734 /nfs/dbraw/zinc/64/67/34/978646734.db2.gz ZRTXTHSUUNMMDS-YVEFUNNKSA-N -1 0 349.387 2.595 20 5 EFBDRM O=C([O-])c1cc(NC(=O)c2ccc(NC3CC3)nc2)cc([N+](=O)[O-])c1 ZINC000740089432 978668187 /nfs/dbraw/zinc/66/81/87/978668187.db2.gz VSWLNPGOXLVBOB-UHFFFAOYSA-N -1 0 342.311 2.515 20 5 EFBDRM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC000746335495 978681744 /nfs/dbraw/zinc/68/17/44/978681744.db2.gz QEBCGOINSQNCKI-FUEXJSSKSA-N -1 0 330.344 2.637 20 5 EFBDRM CNc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000776595303 978755172 /nfs/dbraw/zinc/75/51/72/978755172.db2.gz IBFHVOZFXXJTCC-UHFFFAOYSA-N -1 0 341.323 2.538 20 5 EFBDRM C[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592688811 979132604 /nfs/dbraw/zinc/13/26/04/979132604.db2.gz OFDOYUWEIDOSMO-KWCYVHTRSA-N -1 0 334.372 2.706 20 5 EFBDRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC001592697196 979152393 /nfs/dbraw/zinc/15/23/93/979152393.db2.gz NKWFGAAQVDGHLU-SECBINFHSA-N -1 0 334.353 2.888 20 5 EFBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592729335 979242569 /nfs/dbraw/zinc/24/25/69/979242569.db2.gz MYXQAALZOIAPPK-SECBINFHSA-N -1 0 346.299 2.812 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000844208126 979357976 /nfs/dbraw/zinc/35/79/76/979357976.db2.gz HPCBBEIQBUADOD-UHFFFAOYSA-N -1 0 334.372 2.619 20 5 EFBDRM O=C([O-])Cc1ccc(N2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000844208712 979360167 /nfs/dbraw/zinc/36/01/67/979360167.db2.gz GGARBFLAOYGICC-UHFFFAOYSA-N -1 0 330.262 2.921 20 5 EFBDRM Cc1cc([C@](C)(O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000844208933 979360286 /nfs/dbraw/zinc/36/02/86/979360286.db2.gz BTXMSWQNNGWWNR-QGZVFWFLSA-N -1 0 348.355 2.751 20 5 EFBDRM Cc1nc2c(s1)[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC000844209767 979362066 /nfs/dbraw/zinc/36/20/66/979362066.db2.gz NGLPEQCHFXJMLL-SNVBAGLBSA-N -1 0 334.357 2.942 20 5 EFBDRM C[C@@](O)(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000844210180 979363256 /nfs/dbraw/zinc/36/32/56/979363256.db2.gz QWMUUDSQPLBMPM-GOSISDBHSA-N -1 0 344.367 2.932 20 5 EFBDRM Cc1cc(N(C)C[C@](C)(O)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844210661 979364983 /nfs/dbraw/zinc/36/49/83/979364983.db2.gz XUYNVGZMBFTKQQ-SFHVURJKSA-N -1 0 344.367 2.945 20 5 EFBDRM Cc1cc(NC[C@@]2(O)CCc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844211516 979366794 /nfs/dbraw/zinc/36/67/94/979366794.db2.gz CAXQYBZHOOIJLA-SFHVURJKSA-N -1 0 342.351 2.847 20 5 EFBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000844211470 979367110 /nfs/dbraw/zinc/36/71/10/979367110.db2.gz APNGFZADYAYIAY-UNSIVSCNSA-N -1 0 348.277 2.806 20 5 EFBDRM CC(C)c1ncc(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000844211980 979368382 /nfs/dbraw/zinc/36/83/82/979368382.db2.gz MXXHCEPBABGUGY-UHFFFAOYSA-N -1 0 344.371 2.772 20 5 EFBDRM CC(C)[C@@H](O)C1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212998 979370715 /nfs/dbraw/zinc/37/07/15/979370715.db2.gz DYPOHRJHROOCAA-DQOPKJQZSA-N -1 0 334.372 2.902 20 5 EFBDRM CCc1ccc([C@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000844213073 979371733 /nfs/dbraw/zinc/37/17/33/979371733.db2.gz ROQMSBJTNWXPTK-QGZVFWFLSA-N -1 0 344.367 2.930 20 5 EFBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000844217966 979381964 /nfs/dbraw/zinc/38/19/64/979381964.db2.gz IFGGHJCZKDPYGA-CYBMUJFWSA-N -1 0 346.261 2.641 20 5 EFBDRM Cn1cc2c(n1)CCC[C@H]2Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844219803 979383802 /nfs/dbraw/zinc/38/38/02/979383802.db2.gz WPYULRAJVDYCMY-STMXVASLSA-N -1 0 342.355 2.916 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000849349046 979499915 /nfs/dbraw/zinc/49/99/15/979499915.db2.gz ZPJIEJOYAIMKNE-ZJUUUORDSA-N -1 0 332.278 2.993 20 5 EFBDRM O=C([O-])Cc1ccc(N2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000851705448 979568683 /nfs/dbraw/zinc/56/86/83/979568683.db2.gz KYPRXNNHUDZJFN-UHFFFAOYSA-N -1 0 346.383 2.617 20 5 EFBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001592847726 979626862 /nfs/dbraw/zinc/62/68/62/979626862.db2.gz IHUYYDDHDBEWQU-QGZVFWFLSA-N -1 0 346.314 2.550 20 5 EFBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000863479070 979672183 /nfs/dbraw/zinc/67/21/83/979672183.db2.gz WBTPDVUOYPCINN-AOOOYVTPSA-N -1 0 328.315 2.949 20 5 EFBDRM C[C@](CCF)(NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)[O-] ZINC000864154624 979765951 /nfs/dbraw/zinc/76/59/51/979765951.db2.gz WFZSKFXMXWIQKD-MRXNPFEDSA-N -1 0 334.303 2.681 20 5 EFBDRM CSc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000864200436 979877401 /nfs/dbraw/zinc/87/74/01/979877401.db2.gz YIQUWFIEROZRHM-OAHLLOKOSA-N -1 0 338.385 2.690 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(=O)[O-])C(C)C ZINC001595211268 979990819 /nfs/dbraw/zinc/99/08/19/979990819.db2.gz FWRGQOBLFYAULM-CQSZACIVSA-N -1 0 336.388 2.875 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001595211819 979994801 /nfs/dbraw/zinc/99/48/01/979994801.db2.gz JEFOSLDJHQQQOC-BJJXKVORSA-N -1 0 348.399 2.875 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595211774 979995038 /nfs/dbraw/zinc/99/50/38/979995038.db2.gz IYISLBZNAIQERP-NFOMZHRRSA-N -1 0 348.399 2.923 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595212228 979997811 /nfs/dbraw/zinc/99/78/11/979997811.db2.gz MYZIAUDISPWHDM-LNSITVRQSA-N -1 0 336.388 2.779 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595213191 980005611 /nfs/dbraw/zinc/00/56/11/980005611.db2.gz SWEQSPCUZIPQQL-DUVNUKRYSA-N -1 0 348.399 2.733 20 5 EFBDRM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001592991200 980187861 /nfs/dbraw/zinc/18/78/61/980187861.db2.gz XZCUJKGWIVVOFO-DTWKUNHWSA-N -1 0 349.368 2.730 20 5 EFBDRM C[C@](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009185 980234407 /nfs/dbraw/zinc/23/44/07/980234407.db2.gz NSJDWKKLVXEXFJ-ZIVKBKJYSA-N -1 0 346.383 2.837 20 5 EFBDRM C[C@](NC(=O)/C=C\c1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593011452 980246625 /nfs/dbraw/zinc/24/66/25/980246625.db2.gz QWBFLZGCXZALGE-XITLMJRVSA-N -1 0 346.364 2.786 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C1CC1 ZINC000900399565 980251494 /nfs/dbraw/zinc/25/14/94/980251494.db2.gz BMNHSHZBKKOTHR-WDEREUQCSA-N -1 0 342.298 2.743 20 5 EFBDRM CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595497602 981257725 /nfs/dbraw/zinc/25/77/25/981257725.db2.gz GKVKUIAHTLAGGE-RKDXNWHRSA-N -1 0 328.752 2.950 20 5 EFBDRM CCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001595552929 981425709 /nfs/dbraw/zinc/42/57/09/981425709.db2.gz IKXOPRRIEFYGRL-AWEZNQCLSA-N -1 0 328.752 2.930 20 5 EFBDRM CCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC)C(=O)[O-] ZINC001595552917 981425713 /nfs/dbraw/zinc/42/57/13/981425713.db2.gz HYRAVALRGCJBRY-AWEZNQCLSA-N -1 0 326.374 2.690 20 5 EFBDRM CCC[C@@](C)(NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001595553794 981431986 /nfs/dbraw/zinc/43/19/86/981431986.db2.gz OPVDYGGSNHMHPA-QGZVFWFLSA-N -1 0 345.355 2.703 20 5 EFBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001594781559 981787487 /nfs/dbraw/zinc/78/74/87/981787487.db2.gz KYNYLXPYFIUZBS-QGZVFWFLSA-N -1 0 334.372 2.629 20 5 EFBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001594817379 981955355 /nfs/dbraw/zinc/95/53/55/981955355.db2.gz OLRWOGNDNKLQNA-PSLIRLAXSA-N -1 0 326.324 2.597 20 5 EFBDRM CCCC[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001595649883 982007383 /nfs/dbraw/zinc/00/73/83/982007383.db2.gz DBNQTHPDRNFUHM-LBPRGKRZSA-N -1 0 329.736 2.977 20 5 EFBDRM CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001595676050 982146246 /nfs/dbraw/zinc/14/62/46/982146246.db2.gz 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ZINC001607310022 1097594404 /nfs/dbraw/zinc/59/44/04/1097594404.db2.gz WKKOTZVOPWSINK-SNVBAGLBSA-N -1 0 344.323 2.793 20 5 EFBDRM CSCCCNC(=S)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001607397950 1097618598 /nfs/dbraw/zinc/61/85/98/1097618598.db2.gz DJGYDUSJBMKLBH-UHFFFAOYSA-N -1 0 343.430 2.641 20 5 EFBDRM CSc1cccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001607410625 1097622447 /nfs/dbraw/zinc/62/24/47/1097622447.db2.gz HYOFHSUMRAWRMA-VIFPVBQESA-N -1 0 338.385 2.642 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001607410792 1097622665 /nfs/dbraw/zinc/62/26/65/1097622665.db2.gz OFRRVCRFZYJZEU-NSHDSACASA-N -1 0 340.401 2.936 20 5 EFBDRM CSc1cccnc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001607413475 1097623351 /nfs/dbraw/zinc/62/33/51/1097623351.db2.gz GAEPBMLNXMMUOV-UHFFFAOYSA-N -1 0 347.352 2.971 20 5 EFBDRM CSc1cccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] ZINC001607412066 1097623478 /nfs/dbraw/zinc/62/34/78/1097623478.db2.gz YHLYDOVUZMNBQU-GXSJLCMTSA-N -1 0 338.385 2.690 20 5 EFBDRM CSc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001607411664 1097623676 /nfs/dbraw/zinc/62/36/76/1097623676.db2.gz NKCPLAKDJSSZLL-CYBMUJFWSA-N -1 0 346.364 2.872 20 5 EFBDRM C[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC001607420954 1097625085 /nfs/dbraw/zinc/62/50/85/1097625085.db2.gz KKOGBBVRJYQIAB-ZLENFMNRSA-N -1 0 347.371 2.695 20 5 EFBDRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001607420900 1097625089 /nfs/dbraw/zinc/62/50/89/1097625089.db2.gz IDVBLPUQJUTBGI-CHWSQXEVSA-N -1 0 349.387 2.942 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001607457026 1097632207 /nfs/dbraw/zinc/63/22/07/1097632207.db2.gz SPZQCBSPMDHPNN-ZBEGNZNMSA-N -1 0 335.360 2.552 20 5 EFBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC001607496424 1097642841 /nfs/dbraw/zinc/64/28/41/1097642841.db2.gz YGGAALCTXKKNOW-UHFFFAOYSA-N -1 0 338.703 2.845 20 5 EFBDRM Cc1c(CC(=O)N2CCc3c2cccc3C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607527182 1097651676 /nfs/dbraw/zinc/65/16/76/1097651676.db2.gz WJWMLHOBHLMLKE-UHFFFAOYSA-N -1 0 340.335 2.733 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001607534239 1097654272 /nfs/dbraw/zinc/65/42/72/1097654272.db2.gz GBZHXYCLGQLRHB-UHFFFAOYSA-N -1 0 346.314 2.599 20 5 EFBDRM Cc1c(NC(=O)C[C@H](C)[C@@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607539400 1097655582 /nfs/dbraw/zinc/65/55/82/1097655582.db2.gz BKVYZPFJPCAEOV-XPTSAGLGSA-N -1 0 336.344 2.745 20 5 EFBDRM Cc1c(NC(=O)N[C@@H](C)c2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544030 1097657311 /nfs/dbraw/zinc/65/73/11/1097657311.db2.gz WHHCANGATXDREP-JTQLQIEISA-N -1 0 344.327 2.879 20 5 EFBDRM Cc1c(NC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543090 1097657340 /nfs/dbraw/zinc/65/73/40/1097657340.db2.gz UIXCTZHKRXPFDJ-SUZMYJTESA-N -1 0 333.344 2.912 20 5 EFBDRM Cc1c(NCC(=O)N(CC(C)C)C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607548720 1097658285 /nfs/dbraw/zinc/65/82/85/1097658285.db2.gz INHSZCMJNIOAFY-UHFFFAOYSA-N -1 0 349.387 2.660 20 5 EFBDRM Cc1c(NC(=O)c2ocnc2C(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607551370 1097659111 /nfs/dbraw/zinc/65/91/11/1097659111.db2.gz KGGJDEXDSURBEF-UHFFFAOYSA-N -1 0 341.226 2.779 20 5 EFBDRM Cc1nc2cc(Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])ccc2n1C ZINC001607587025 1097666964 /nfs/dbraw/zinc/66/69/64/1097666964.db2.gz GIGNQZWPOZLSIK-UHFFFAOYSA-N -1 0 341.327 2.935 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3cccnc3)C2)n1 ZINC001607588968 1097667855 /nfs/dbraw/zinc/66/78/55/1097667855.db2.gz JHHODGQGCSLSEQ-ZDUSSCGKSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)n1 ZINC001607587342 1097667880 /nfs/dbraw/zinc/66/78/80/1097667880.db2.gz KJSNLKNVVFJXQJ-IACUBPJLSA-N -1 0 325.324 2.747 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC001607587716 1097668174 /nfs/dbraw/zinc/66/81/74/1097668174.db2.gz PZPFCSRQTHYAPU-LLVKDONJSA-N -1 0 345.355 2.769 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc3c(c2)N(C)CCO3)n1 ZINC001607587331 1097668214 /nfs/dbraw/zinc/66/82/14/1097668214.db2.gz JKJFDXDBMQIRRC-UHFFFAOYSA-N -1 0 344.327 2.569 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)COc2ccccc2)n1 ZINC001607589513 1097669075 /nfs/dbraw/zinc/66/90/75/1097669075.db2.gz ZUGUWVPWKMXLPP-LLVKDONJSA-N -1 0 331.328 2.876 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001607621333 1097679614 /nfs/dbraw/zinc/67/96/14/1097679614.db2.gz UNPCRIIUASQRRQ-LBPRGKRZSA-N -1 0 335.360 2.834 20 5 EFBDRM Cc1cc(C)cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001607623543 1097680455 /nfs/dbraw/zinc/68/04/55/1097680455.db2.gz FFENCRJTYFECMY-SFHVURJKSA-N -1 0 342.351 2.941 20 5 EFBDRM Cc1cc(C)cc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001607624492 1097680468 /nfs/dbraw/zinc/68/04/68/1097680468.db2.gz HQCJXOYUSWLLII-KRWDZBQOSA-N -1 0 342.351 2.696 20 5 EFBDRM Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001607643458 1097687263 /nfs/dbraw/zinc/68/72/63/1097687263.db2.gz OQTONPIPOHYVRF-KGLIPLIRSA-N -1 0 344.323 2.614 20 5 EFBDRM Cc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)oc1C(=O)[O-] ZINC001607651648 1097690663 /nfs/dbraw/zinc/69/06/63/1097690663.db2.gz HYKXFROQGDMVNF-UHFFFAOYSA-N -1 0 348.311 2.617 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001607656048 1097691135 /nfs/dbraw/zinc/69/11/35/1097691135.db2.gz PREXEGYSSGWQOV-UHFFFAOYSA-N -1 0 341.732 2.964 20 5 EFBDRM Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc(C)c1C(=O)[O-] ZINC001607675871 1097696448 /nfs/dbraw/zinc/69/64/48/1097696448.db2.gz IYDJJHAFJQYHRS-YVMONPNESA-N -1 0 341.323 2.957 20 5 EFBDRM Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC001607686560 1097698875 /nfs/dbraw/zinc/69/88/75/1097698875.db2.gz ABSZPPZANKKKNI-UHFFFAOYSA-N -1 0 343.339 2.966 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)c1F ZINC001607691512 1097700759 /nfs/dbraw/zinc/70/07/59/1097700759.db2.gz SMBNQDSOBOULHG-UHFFFAOYSA-N -1 0 333.275 2.696 20 5 EFBDRM Cc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693725 1097701143 /nfs/dbraw/zinc/70/11/43/1097701143.db2.gz KPJONXDQHWAWDC-GVTMCDLGSA-N -1 0 340.401 2.703 20 5 EFBDRM Cc1cc(NC[C@H](C)CC2(C)OCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693891 1097701160 /nfs/dbraw/zinc/70/11/60/1097701160.db2.gz KOXOFJDMIMDJCQ-SNVBAGLBSA-N -1 0 338.360 2.803 20 5 EFBDRM Cc1cc(N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607694569 1097701367 /nfs/dbraw/zinc/70/13/67/1097701367.db2.gz WOAGWQWDQIYDEH-RYUDHWBXSA-N -1 0 349.387 2.660 20 5 EFBDRM Cc1cc(NCc2ccc([S@@](C)=O)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607695973 1097701991 /nfs/dbraw/zinc/70/19/91/1097701991.db2.gz RTAJAADJQJHROF-XMMPIXPASA-N -1 0 348.380 2.951 20 5 EFBDRM Cc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607695981 1097702270 /nfs/dbraw/zinc/70/22/70/1097702270.db2.gz SGJZHLOZAFEQKX-UHFFFAOYSA-N -1 0 342.311 2.795 20 5 EFBDRM Cc1cc(Nc2cnn(C[C@H]3CCCO3)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607699825 1097703279 /nfs/dbraw/zinc/70/32/79/1097703279.db2.gz NOGNCLSNJIUFFF-GFCCVEGCSA-N -1 0 346.343 2.721 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001607709100 1097704876 /nfs/dbraw/zinc/70/48/76/1097704876.db2.gz BWXXXPWEZDCUDY-CVEARBPZSA-N -1 0 340.335 2.946 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])n1 ZINC001607709541 1097704962 /nfs/dbraw/zinc/70/49/62/1097704962.db2.gz GUJGPAZAFLNXMQ-UHFFFAOYSA-N -1 0 329.312 2.866 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001607709105 1097704998 /nfs/dbraw/zinc/70/49/98/1097704998.db2.gz CDOFJFMKASCCIY-HNNXBMFYSA-N -1 0 347.298 2.895 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001607709055 1097705046 /nfs/dbraw/zinc/70/50/46/1097705046.db2.gz AFFBGAZEZBIGSZ-UHFFFAOYSA-N -1 0 344.323 2.887 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001607709294 1097705179 /nfs/dbraw/zinc/70/51/79/1097705179.db2.gz XEKBUCOASVNYAL-LLVKDONJSA-N -1 0 326.736 2.636 20 5 EFBDRM Cc1ccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC001607756555 1097722452 /nfs/dbraw/zinc/72/24/52/1097722452.db2.gz KQGKQYHFHVUXSB-ZDUSSCGKSA-N -1 0 334.353 2.829 20 5 EFBDRM Cc1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001607770742 1097727123 /nfs/dbraw/zinc/72/71/23/1097727123.db2.gz KJUZIOJSKLJSSR-GOSISDBHSA-N -1 0 342.351 2.562 20 5 EFBDRM Cc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)n1 ZINC001607783019 1097731878 /nfs/dbraw/zinc/73/18/78/1097731878.db2.gz MAVPQSXYRIRPDI-UHFFFAOYSA-N -1 0 349.730 2.580 20 5 EFBDRM Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001607805868 1097739028 /nfs/dbraw/zinc/73/90/28/1097739028.db2.gz JOVYHEPZLYZHJM-UHFFFAOYSA-N -1 0 329.312 2.744 20 5 EFBDRM Cc1ccc(OCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C ZINC001607812834 1097741326 /nfs/dbraw/zinc/74/13/26/1097741326.db2.gz DXYSDFXBTIFODU-UHFFFAOYSA-N -1 0 345.307 2.894 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001607825372 1097744057 /nfs/dbraw/zinc/74/40/57/1097744057.db2.gz VRZAUNDGJQWFMT-UHFFFAOYSA-N -1 0 334.372 2.977 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1C ZINC001607825531 1097744139 /nfs/dbraw/zinc/74/41/39/1097744139.db2.gz WWGJNNWZBASVIP-UHFFFAOYSA-N -1 0 347.327 2.563 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(=O)[O-])C1CCCCC1 ZINC001607826689 1097744611 /nfs/dbraw/zinc/74/46/11/1097744611.db2.gz YFJNQOUDTXZDDZ-UHFFFAOYSA-N -1 0 349.387 2.561 20 5 EFBDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC001607826718 1097744981 /nfs/dbraw/zinc/74/49/81/1097744981.db2.gz ZWSBXHXYUUKHDF-UHFFFAOYSA-N -1 0 346.343 2.570 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001607826267 1097745056 /nfs/dbraw/zinc/74/50/56/1097745056.db2.gz KBVCVGARLBCRQB-UHFFFAOYSA-N -1 0 344.323 2.643 20 5 EFBDRM Cc1cccc(C(=O)OCc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC001607840096 1097749390 /nfs/dbraw/zinc/74/93/90/1097749390.db2.gz QSHXLCNASUHVNH-UHFFFAOYSA-N -1 0 329.308 2.887 20 5 EFBDRM Cc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1F ZINC001607840651 1097749721 /nfs/dbraw/zinc/74/97/21/1097749721.db2.gz QDRSOIOMLOBIGV-KRWDZBQOSA-N -1 0 346.314 2.772 20 5 EFBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001607843100 1097750496 /nfs/dbraw/zinc/75/04/96/1097750496.db2.gz VNRUXSNEMMJICA-OAHLLOKOSA-N -1 0 328.324 2.849 20 5 EFBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001607843128 1097751582 /nfs/dbraw/zinc/75/15/82/1097751582.db2.gz WHSJYZFGYNTSHW-MRXNPFEDSA-N -1 0 342.351 2.778 20 5 EFBDRM Cc1ccnc([C@@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC001607894096 1097770038 /nfs/dbraw/zinc/77/00/38/1097770038.db2.gz RGPNCXQQNXWAPD-CQSZACIVSA-N -1 0 341.367 2.919 20 5 EFBDRM Cc1oc(C(=O)[O-])cc1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001607908376 1097774821 /nfs/dbraw/zinc/77/48/21/1097774821.db2.gz RNLHFDSXXCLDQS-UHFFFAOYSA-N -1 0 334.284 2.563 20 5 EFBDRM Cc1csc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001607930030 1097780458 /nfs/dbraw/zinc/78/04/58/1097780458.db2.gz AKAGGQOFGPNXIV-UHFFFAOYSA-N -1 0 349.368 2.938 20 5 EFBDRM Cc1csc(C[C@@H]2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001607930611 1097781226 /nfs/dbraw/zinc/78/12/26/1097781226.db2.gz VBAXLHIYJNGNFS-JTQLQIEISA-N -1 0 348.384 2.522 20 5 EFBDRM Cc1csc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C(=O)[O-] ZINC001607931968 1097781250 /nfs/dbraw/zinc/78/12/50/1097781250.db2.gz DHAAGSROVYHPNN-UHFFFAOYSA-N -1 0 346.324 2.792 20 5 EFBDRM Cc1nc(C2CC2)oc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607951131 1097786200 /nfs/dbraw/zinc/78/62/00/1097786200.db2.gz PHHGQFHAFZKBHI-UHFFFAOYSA-N -1 0 332.268 2.686 20 5 EFBDRM Cc1nc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001607958431 1097788560 /nfs/dbraw/zinc/78/85/60/1097788560.db2.gz QBMMGABOACNZNL-DAXSKMNVSA-N -1 0 348.336 2.815 20 5 EFBDRM Cc1ncccc1/C=C/C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607989042 1097798749 /nfs/dbraw/zinc/79/87/49/1097798749.db2.gz TZLQBKHPNDDUCU-SNAWJCMRSA-N -1 0 327.296 2.648 20 5 EFBDRM Cc1nn(CCOc2ccccc2[N+](=O)[O-])c(C)c1[C@@H](C)C(=O)[O-] ZINC001608011988 1097804259 /nfs/dbraw/zinc/80/42/59/1097804259.db2.gz SJWCIRXUHMUVBO-SNVBAGLBSA-N -1 0 333.344 2.675 20 5 EFBDRM Cc1nn(Cc2cc(Br)ccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001608011293 1097804752 /nfs/dbraw/zinc/80/47/52/1097804752.db2.gz ILNXARQIBZCNBH-UHFFFAOYSA-N -1 0 340.133 2.609 20 5 EFBDRM Cc1nnc([C@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC001608014823 1097805956 /nfs/dbraw/zinc/80/59/56/1097805956.db2.gz VXGFVHBPBZYNLE-YFKPBYRVSA-N -1 0 326.696 2.811 20 5 EFBDRM Cc1oc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1C(=O)[O-] ZINC001608051863 1097818479 /nfs/dbraw/zinc/81/84/79/1097818479.db2.gz LDHJPLHOQNIGAF-UHFFFAOYSA-N -1 0 328.284 2.750 20 5 EFBDRM Cc1sc(C(=O)[O-])cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001608062217 1097821455 /nfs/dbraw/zinc/82/14/55/1097821455.db2.gz AFIAOVAFHQQSIO-UHFFFAOYSA-N -1 0 336.325 2.680 20 5 EFBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001608123141 1097841325 /nfs/dbraw/zinc/84/13/25/1097841325.db2.gz MJLOWSGJMWNNMV-UHFFFAOYSA-N -1 0 349.368 2.824 20 5 EFBDRM Nc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cccc1[N+](=O)[O-] ZINC001608266699 1097875359 /nfs/dbraw/zinc/87/53/59/1097875359.db2.gz COISEROIQVFWNN-CYBMUJFWSA-N -1 0 349.387 2.578 20 5 EFBDRM O=C([O-])c1cc(NC(=O)/C=C/c2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC001608287143 1097883148 /nfs/dbraw/zinc/88/31/48/1097883148.db2.gz DKAXSQHCPLWKNT-SNAWJCMRSA-N -1 0 328.280 2.651 20 5 EFBDRM O=C([O-])c1cccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 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Cc1ncc([N+](=O)[O-])n1Cc1c(Br)cccc1C(=O)[O-] ZINC001610564671 1098756217 /nfs/dbraw/zinc/75/62/17/1098756217.db2.gz UZJCGHOHDGXNGZ-UHFFFAOYSA-N -1 0 340.133 2.609 20 5 EFBDRM Cn1c(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC001610598505 1098777058 /nfs/dbraw/zinc/77/70/58/1098777058.db2.gz WVYQTECTMQSYMQ-UHFFFAOYSA-N -1 0 327.296 2.759 20 5 EFBDRM Nc1c(F)c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001610649728 1098802961 /nfs/dbraw/zinc/80/29/61/1098802961.db2.gz SEMQYSMLIMLLQF-KRWDZBQOSA-N -1 0 345.330 2.549 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])s1 ZINC001610658202 1098808166 /nfs/dbraw/zinc/80/81/66/1098808166.db2.gz QUIBWENEAKNSTH-UHFFFAOYSA-N -1 0 336.325 2.762 20 5 EFBDRM O=C([O-])c1cc(NC(=O)CCc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC001610658819 1098809573 /nfs/dbraw/zinc/80/95/73/1098809573.db2.gz IFIOIGWNZOEDRL-UHFFFAOYSA-N -1 0 330.296 2.570 20 5 EFBDRM O=C([O-])c1ccc(F)c(COC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC001610665383 1098814330 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343.295 2.606 20 5 EFBDRM CCOc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000362697057 148870699 /nfs/dbraw/zinc/87/06/99/148870699.db2.gz HXRZMZSATOPXFE-UHFFFAOYSA-N -1 0 344.323 2.873 20 5 EFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Cc2cccnc2)CC1 ZINC000368066465 150026558 /nfs/dbraw/zinc/02/65/58/150026558.db2.gz YUAUDQVATPGWLW-UHFFFAOYSA-N -1 0 341.367 2.790 20 5 EFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](Oc2ccccc2)C1 ZINC000378554584 152114584 /nfs/dbraw/zinc/11/45/84/152114584.db2.gz RSFSSPKTYVHRLM-HNNXBMFYSA-N -1 0 342.351 2.984 20 5 EFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC=C(c2ccccc2F)C1 ZINC000378607780 152126060 /nfs/dbraw/zinc/12/60/60/152126060.db2.gz LNNYEROJYSGCGP-UHFFFAOYSA-N -1 0 328.299 2.979 20 5 EFBDRM C[C@H](O)C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000164936866 226104505 /nfs/dbraw/zinc/10/45/05/226104505.db2.gz FZIVVUGNXLJZGG-WFASDCNBSA-N -1 0 344.367 2.585 20 5 EFBDRM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 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CNc1ccc(C(=O)OC)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677162 1288066636 /nfs/dbraw/zinc/06/66/36/1288066636.db2.gz OUILVVJLBFLVMZ-UHFFFAOYSA-N -1 0 345.311 2.865 20 5 EFBDRM O=C([O-])c1cc(Nc2ccccc2C2=NCCO2)cc([N+](=O)[O-])c1 ZINC001176679651 1288067760 /nfs/dbraw/zinc/06/77/60/1288067760.db2.gz NSYFORRYTNTFIL-UHFFFAOYSA-N -1 0 327.296 2.813 20 5 EFBDRM O=C([O-])c1cc(Nc2ccc(-n3nccn3)cc2)cc([N+](=O)[O-])c1 ZINC001176679132 1288068024 /nfs/dbraw/zinc/06/80/24/1288068024.db2.gz FOTCISPMZCBRCO-UHFFFAOYSA-N -1 0 325.284 2.617 20 5 EFBDRM O=C([O-])c1cc(Nc2cccc3c2OCC[C@H]3O)cc([N+](=O)[O-])c1 ZINC001176680272 1288068443 /nfs/dbraw/zinc/06/84/43/1288068443.db2.gz WPDSVPAHLQTBEW-CQSZACIVSA-N -1 0 330.296 2.853 20 5 EFBDRM CN1C(=O)Cc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001176680806 1288068477 /nfs/dbraw/zinc/06/84/77/1288068477.db2.gz ZCZQJGAITSYLNW-UHFFFAOYSA-N -1 0 327.296 2.556 20 5 EFBDRM O=C([O-])c1cc(Nc2cccc(-n3cncn3)c2)cc([N+](=O)[O-])c1 ZINC001176680256 1288068663 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344.323 2.658 20 5 EFBDRM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000779596886 1298372165 /nfs/dbraw/zinc/37/21/65/1298372165.db2.gz OFVCSNUZYUSAKZ-UHFFFAOYSA-N -1 0 339.392 2.599 20 5 EFBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nccs2)cc1[N+](=O)[O-] ZINC000083954988 1298724387 /nfs/dbraw/zinc/72/43/87/1298724387.db2.gz MOZUNZIUUHNHPD-UHFFFAOYSA-N -1 0 333.778 2.814 20 5 EFBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989758 1300378882 /nfs/dbraw/zinc/37/88/82/1300378882.db2.gz RPIDKIOOWTYQFP-KCJUWKMLSA-N -1 0 349.284 2.627 20 5 EFBDRM C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989819 1300379032 /nfs/dbraw/zinc/37/90/32/1300379032.db2.gz SJTWIJDYGGCJJQ-SFYZADRCSA-N -1 0 337.323 2.550 20 5 EFBDRM C[C@H](O)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000795380246 1300875725 /nfs/dbraw/zinc/87/57/25/1300875725.db2.gz IJGICIWKZQWZRA-ZETCQYMHSA-N -1 0 346.361 2.650 20 5 EFBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000864142546 1302793696 /nfs/dbraw/zinc/79/36/96/1302793696.db2.gz JFOILKPUESVBMS-HIFRSBDPSA-N -1 0 328.324 2.731 20 5 EFBDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120580193 1303277210 /nfs/dbraw/zinc/27/72/10/1303277210.db2.gz KXSZYYILGXFIJT-JTQLQIEISA-N -1 0 346.380 2.755 20 5 EFBDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120614578 1303304688 /nfs/dbraw/zinc/30/46/88/1303304688.db2.gz OLWIZLBXVILZBB-UHFFFAOYSA-N -1 0 344.364 2.509 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(F)c([O-])c(F)c1 ZINC000748483055 1313940056 /nfs/dbraw/zinc/94/00/56/1313940056.db2.gz PUBOEYASYGKOAS-UHFFFAOYSA-N -1 0 339.250 2.944 20 5 EFBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1O ZINC000121860890 1303976596 /nfs/dbraw/zinc/97/65/96/1303976596.db2.gz PNCDKIGKMHMMTG-UHFFFAOYSA-N -1 0 340.332 2.857 20 5 EFBDRM CO[C@@H](C)c1nsc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000800991352 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ZINC000152999983 726371654 /nfs/dbraw/zinc/37/16/54/726371654.db2.gz SLSBZQSHMZFEOW-UHFFFAOYSA-N -1 0 345.739 2.892 20 5 EFBDRM O=C([O-])/C=C/c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000915212421 726899089 /nfs/dbraw/zinc/89/90/89/726899089.db2.gz UHSHEHLCHSDBQM-BPJJOFIESA-N -1 0 346.339 2.549 20 5 EFBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000043570214 727133046 /nfs/dbraw/zinc/13/30/46/727133046.db2.gz USZSILYNPFAFEL-UHFFFAOYSA-N -1 0 327.749 2.752 20 5 EFBDRM O=C([O-])c1cc(NC[C@@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000910332996 727431728 /nfs/dbraw/zinc/43/17/28/727431728.db2.gz HNSKAXSEEVXHSM-JTQLQIEISA-N -1 0 347.293 2.732 20 5 EFBDRM CN(C)[C@@H](CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(F)(F)F ZINC000910335011 727431953 /nfs/dbraw/zinc/43/19/53/727431953.db2.gz NWWSNKHOCQHHSV-NSHDSACASA-N -1 0 335.282 2.588 20 5 EFBDRM O=C([O-])c1cc(N2CCC[C@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000910373506 727435457 /nfs/dbraw/zinc/43/54/57/727435457.db2.gz BNYVXKKTUPAATD-CHWSQXEVSA-N -1 0 334.372 2.936 20 5 EFBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000916369934 727678694 /nfs/dbraw/zinc/67/86/94/727678694.db2.gz RSDFPLYIPNEZGF-UHFFFAOYSA-N -1 0 326.268 2.644 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000917389368 727802147 /nfs/dbraw/zinc/80/21/47/727802147.db2.gz CFUALHPKCCETKZ-UHFFFAOYSA-N -1 0 347.283 2.822 20 5 EFBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000221852302 727897977 /nfs/dbraw/zinc/89/79/77/727897977.db2.gz ZLBSEOMBVBKJKJ-UHFFFAOYSA-N -1 0 327.749 2.752 20 5 EFBDRM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170796776 728480319 /nfs/dbraw/zinc/48/03/19/728480319.db2.gz IKCOFOQBYALQBU-UHFFFAOYSA-N -1 0 336.226 2.914 20 5 EFBDRM O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000172313476 728581062 /nfs/dbraw/zinc/58/10/62/728581062.db2.gz PAHDLBWBIAUKLX-ZHACJKMWSA-N -1 0 338.385 2.536 20 5 EFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000174336202 728660084 /nfs/dbraw/zinc/66/00/84/728660084.db2.gz DZMLUGAXSCCIOK-CMPLNLGQSA-N -1 0 340.401 2.534 20 5 EFBDRM Cc1nc2ccccc2n1CCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000920792456 729231337 /nfs/dbraw/zinc/23/13/37/729231337.db2.gz VLYKKBGLRMHSAH-UHFFFAOYSA-N -1 0 328.328 2.828 20 5 EFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000179643185 729602762 /nfs/dbraw/zinc/60/27/62/729602762.db2.gz SVYXNGDQXVKRMO-UHFFFAOYSA-N -1 0 337.313 2.612 20 5 EFBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)n2)cc1[N+](=O)[O-] ZINC000130829529 729690833 /nfs/dbraw/zinc/69/08/33/729690833.db2.gz OBBSMEKYAZPABC-UHFFFAOYSA-N -1 0 345.739 2.892 20 5 EFBDRM O=C([O-])[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000852944616 939238636 /nfs/dbraw/zinc/23/86/36/939238636.db2.gz OUROSPMIAFJACP-ZDUSSCGKSA-N -1 0 340.763 2.755 20 5 EFBDRM CCc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000864173886 939255021 /nfs/dbraw/zinc/25/50/21/939255021.db2.gz FPVCWTZYZRWGTK-INIZCTEOSA-N -1 0 348.380 2.949 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001601977092 971100951 /nfs/dbraw/zinc/10/09/51/971100951.db2.gz BDOLMLWBKXSESF-NSHDSACASA-N -1 0 345.355 2.793 20 5 EFBDRM O=C([O-])CCCCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001601985197 971111537 /nfs/dbraw/zinc/11/15/37/971111537.db2.gz RAKSLSNXDGFSPJ-UHFFFAOYSA-N -1 0 328.752 2.552 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589561073 948808730 /nfs/dbraw/zinc/80/87/30/948808730.db2.gz FYKIUWMUZWRXFR-ZDUSSCGKSA-N -1 0 334.372 2.535 20 5 EFBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001589592181 949099708 /nfs/dbraw/zinc/09/97/08/949099708.db2.gz OIYXQTOCSIURMV-KRWDZBQOSA-N -1 0 349.387 2.500 20 5 EFBDRM O=C([O-])CCCCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094187822 949176945 /nfs/dbraw/zinc/17/69/45/949176945.db2.gz CDWMNAVYNMCYLR-UHFFFAOYSA-N -1 0 345.149 2.941 20 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ZINC001594984117 951001173 /nfs/dbraw/zinc/00/11/73/951001173.db2.gz DKYVYZDQNVVRHT-QLFBSQMISA-N -1 0 332.356 2.554 20 5 EFBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001594984825 951016372 /nfs/dbraw/zinc/01/63/72/951016372.db2.gz RSODJWOSDKWILI-QEJZJMRPSA-N -1 0 332.356 2.554 20 5 EFBDRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001595014786 951278575 /nfs/dbraw/zinc/27/85/75/951278575.db2.gz COURKHOEEGXERE-UHOFOFEASA-N -1 0 346.383 2.802 20 5 EFBDRM O=C([O-])CCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595032002 951377062 /nfs/dbraw/zinc/37/70/62/951377062.db2.gz PIYBKRSJWPFWDJ-HNNXBMFYSA-N -1 0 338.385 2.814 20 5 EFBDRM O=C([O-])CCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001595043432 951435214 /nfs/dbraw/zinc/43/52/14/951435214.db2.gz CUNCBQKLFGAOQZ-UHFFFAOYSA-N -1 0 334.250 2.598 20 5 EFBDRM O=C([O-])CCc1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001595066186 951547866 /nfs/dbraw/zinc/54/78/66/951547866.db2.gz BQBFYBGVMQWVPT-UHFFFAOYSA-N -1 0 334.303 2.987 20 5 EFBDRM O=C([O-])CCc1cccc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595066673 951556562 /nfs/dbraw/zinc/55/65/62/951556562.db2.gz UOSJJXGMNHEJHV-INIZCTEOSA-N -1 0 330.340 2.758 20 5 EFBDRM O=C([O-])Cn1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC001595147926 952123466 /nfs/dbraw/zinc/12/34/66/952123466.db2.gz KYRWCOUWKVOTSH-UHFFFAOYSA-N -1 0 331.115 2.926 20 5 EFBDRM O=C([O-])Cn1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC001595152607 952145761 /nfs/dbraw/zinc/14/57/61/952145761.db2.gz CXQMTKBKWWBAQS-UHFFFAOYSA-N -1 0 342.311 2.748 20 5 EFBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001595164664 952203691 /nfs/dbraw/zinc/20/36/91/952203691.db2.gz VBLFDSUZRUPAFR-MRVPVSSYSA-N -1 0 346.261 2.550 20 5 EFBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001589271713 953414577 /nfs/dbraw/zinc/41/45/77/953414577.db2.gz FQJSWOUPIVBWEP-IONNQARKSA-N -1 0 344.726 2.570 20 5 EFBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001593635179 953604391 /nfs/dbraw/zinc/60/43/91/953604391.db2.gz CQTLKHFCUCJDIB-OAHLLOKOSA-N -1 0 346.314 2.852 20 5 EFBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001589306301 953745221 /nfs/dbraw/zinc/74/52/21/953745221.db2.gz UOLAGHAQBIBTGF-IUCAKERBSA-N -1 0 341.751 2.965 20 5 EFBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001589437516 954691358 /nfs/dbraw/zinc/69/13/58/954691358.db2.gz JSHKJXLCUZZGBT-MRXNPFEDSA-N -1 0 338.363 2.617 20 5 EFBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC001589438342 954698769 /nfs/dbraw/zinc/69/87/69/954698769.db2.gz GMWAYWBZBOKXEB-HNNXBMFYSA-N -1 0 338.363 2.617 20 5 EFBDRM CCC(CC)(C(=O)[O-])C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001589481238 954975179 /nfs/dbraw/zinc/97/51/79/954975179.db2.gz QGEIYXSQBKOGCE-UHFFFAOYSA-N -1 0 331.328 2.973 20 5 EFBDRM Cc1sc(NC(=O)[C@@H](C)C(=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 ZINC001594512357 955400840 /nfs/dbraw/zinc/40/08/40/955400840.db2.gz QGBGGTKPBNWONK-SSDOTTSWSA-N -1 0 335.341 2.686 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(OCCOc2ccccc2C(=O)[O-])n1 ZINC000818704513 955423925 /nfs/dbraw/zinc/42/39/25/955423925.db2.gz AZCMLIPMGDIGCN-UHFFFAOYSA-N -1 0 332.312 2.763 20 5 EFBDRM COC(=O)Cc1ccc(Oc2cc(C(=O)[O-])ccc2F)c([N+](=O)[O-])c1 ZINC001593854047 955482822 /nfs/dbraw/zinc/48/28/22/955482822.db2.gz RZJWRAUCBSOCKP-UHFFFAOYSA-N -1 0 349.270 2.940 20 5 EFBDRM COC(=O)Cc1ccc(NCc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593855092 955489706 /nfs/dbraw/zinc/48/97/06/955489706.db2.gz UPWKIOGMRQSYHK-UHFFFAOYSA-N -1 0 344.323 2.621 20 5 EFBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000829306743 955539212 /nfs/dbraw/zinc/53/92/12/955539212.db2.gz FUFSJPPDUMMKJR-RKDXNWHRSA-N -1 0 343.177 2.904 20 5 EFBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000864140986 955963041 /nfs/dbraw/zinc/96/30/41/955963041.db2.gz FYCAKXUYABWXAL-SMDDNHRTSA-N -1 0 342.351 2.931 20 5 EFBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001603099757 972174441 /nfs/dbraw/zinc/17/44/41/972174441.db2.gz ZGYUGOFUZZTYMX-UHFFFAOYSA-N -1 0 346.343 2.711 20 5 EFBDRM CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001589191516 956596231 /nfs/dbraw/zinc/59/62/31/956596231.db2.gz DWHFJAKUTKUILH-UHFFFAOYSA-N -1 0 340.763 2.504 20 5 EFBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001594708681 956862597 /nfs/dbraw/zinc/86/25/97/956862597.db2.gz JXBOZCZCTRGHHH-CVEARBPZSA-N -1 0 340.335 2.567 20 5 EFBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001594728603 957025537 /nfs/dbraw/zinc/02/55/37/957025537.db2.gz ZHCSKQVNMRCGRA-GJZGRUSLSA-N -1 0 344.298 2.777 20 5 EFBDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-] ZINC000017729140 957101393 /nfs/dbraw/zinc/10/13/93/957101393.db2.gz NSZFRCBGVBRVRS-CYBMUJFWSA-N -1 0 326.312 2.579 20 5 EFBDRM O=C([O-])c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]n1 ZINC001574789866 957803209 /nfs/dbraw/zinc/80/32/09/957803209.db2.gz LEQNVAIJCRNDNT-UHFFFAOYSA-N -1 0 345.098 2.575 20 5 EFBDRM O=C([O-])c1ccc(COC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001574802363 957839756 /nfs/dbraw/zinc/83/97/56/957839756.db2.gz GTRFWOHXAWRCBU-UHFFFAOYSA-N -1 0 341.279 2.526 20 5 EFBDRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001574989290 957962754 /nfs/dbraw/zinc/96/27/54/957962754.db2.gz ZOKCHLMIFAHDBB-HZPDHXFCSA-N -1 0 340.335 2.713 20 5 EFBDRM Cc1cc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001594306616 957973014 /nfs/dbraw/zinc/97/30/14/957973014.db2.gz NOQKEWNNNNGLGP-HWKANZROSA-N -1 0 331.280 2.951 20 5 EFBDRM O=C([O-])c1cc(COc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000088086190 958043736 /nfs/dbraw/zinc/04/37/36/958043736.db2.gz PABBGYUYEBRQJS-UHFFFAOYSA-N -1 0 343.089 2.623 20 5 EFBDRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001594314243 958056705 /nfs/dbraw/zinc/05/67/05/958056705.db2.gz DNRVBYWTZOLWBS-CQSZACIVSA-N -1 0 345.355 2.559 20 5 EFBDRM Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001594318687 958101453 /nfs/dbraw/zinc/10/14/53/958101453.db2.gz SGULNDWLQJQODM-UHFFFAOYSA-N -1 0 343.339 2.966 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC001594329683 958206715 /nfs/dbraw/zinc/20/67/15/958206715.db2.gz KZXGBYFNDDLPOZ-GZMMTYOYSA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC001594329686 958207219 /nfs/dbraw/zinc/20/72/19/958207219.db2.gz KZXGBYFNDDLPOZ-LDYMZIIASA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)CC2 ZINC001594331164 958220226 /nfs/dbraw/zinc/22/02/26/958220226.db2.gz NVHYLCFCNWYWFX-HYXAFXHYSA-N -1 0 342.307 2.797 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(C(=O)[O-])CC=CCC1)CC2 ZINC001594331314 958223466 /nfs/dbraw/zinc/22/34/66/958223466.db2.gz YIZSONZVJGQADR-KRWDZBQOSA-N -1 0 330.340 2.603 20 5 EFBDRM COc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594094899 958395265 /nfs/dbraw/zinc/39/52/65/958395265.db2.gz YSSSXJJIPKFZFX-UHFFFAOYSA-N -1 0 344.323 2.540 20 5 EFBDRM Cc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594372587 958548747 /nfs/dbraw/zinc/54/87/47/958548747.db2.gz FBHGZCVYNDHIST-UHFFFAOYSA-N -1 0 329.312 2.923 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594377533 958605710 /nfs/dbraw/zinc/60/57/10/958605710.db2.gz AIMPOWIHSWTHFU-CYBMUJFWSA-N -1 0 334.372 2.929 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC001594378026 958608389 /nfs/dbraw/zinc/60/83/89/958608389.db2.gz QBCKKESKFOWVES-UHFFFAOYSA-N -1 0 328.324 2.840 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC001594378235 958608685 /nfs/dbraw/zinc/60/86/85/958608685.db2.gz RSUFDPDZOFEKGO-GOSISDBHSA-N -1 0 342.351 2.941 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001594381351 958626113 /nfs/dbraw/zinc/62/61/13/958626113.db2.gz SWTJHQGADAMKHL-JTQLQIEISA-N -1 0 330.296 2.914 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001594381493 958629491 /nfs/dbraw/zinc/62/94/91/958629491.db2.gz ZDWUTOXVQVOQSI-CMPLNLGQSA-N -1 0 335.360 2.929 20 5 EFBDRM C[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001603235947 972370298 /nfs/dbraw/zinc/37/02/98/972370298.db2.gz CKKYWRCGCWESTO-SECBINFHSA-N -1 0 330.300 2.571 20 5 EFBDRM Cc1cccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001594395468 958766095 /nfs/dbraw/zinc/76/60/95/958766095.db2.gz AOHIICQNMVUKNA-AWEZNQCLSA-N -1 0 329.312 2.851 20 5 EFBDRM C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551276 959023231 /nfs/dbraw/zinc/02/32/31/959023231.db2.gz BPEVXLTYKMOTJA-VIFPVBQESA-N -1 0 326.324 2.597 20 5 EFBDRM CSc1cccc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1[N+](=O)[O-] ZINC001594193178 959173738 /nfs/dbraw/zinc/17/37/38/959173738.db2.gz NGDAGAXFUKRISE-UHFFFAOYSA-N -1 0 333.325 2.662 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001594193705 959181690 /nfs/dbraw/zinc/18/16/90/959181690.db2.gz XNWQKHXPGWBSSR-UWVGGRQHSA-N -1 0 338.385 2.642 20 5 EFBDRM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001594206167 959268707 /nfs/dbraw/zinc/26/87/07/959268707.db2.gz CYSCCGIQKRSUBG-SNVBAGLBSA-N -1 0 346.364 2.949 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001594212739 959303652 /nfs/dbraw/zinc/30/36/52/959303652.db2.gz WGGBSEUTGUZWBX-BXKDBHETSA-N -1 0 342.298 2.541 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001594215383 959322775 /nfs/dbraw/zinc/32/27/75/959322775.db2.gz PAJJXTNHUJVPPR-QMTHXVAHSA-N -1 0 347.371 2.637 20 5 EFBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001594217989 959345572 /nfs/dbraw/zinc/34/55/72/959345572.db2.gz DUXCCLBPVAGNBD-RDDDGLTNSA-N -1 0 346.261 2.691 20 5 EFBDRM C[C@@H](C(=O)[O-])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001588604234 959465398 /nfs/dbraw/zinc/46/53/98/959465398.db2.gz STEBGGOMMCUIEI-SSDOTTSWSA-N -1 0 346.324 2.956 20 5 EFBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001588633785 959630827 /nfs/dbraw/zinc/63/08/27/959630827.db2.gz KIHWZYDADKJBAO-CYBMUJFWSA-N -1 0 346.343 2.670 20 5 EFBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001588633793 959631021 /nfs/dbraw/zinc/63/10/21/959631021.db2.gz BPKDZVMRUPRJOW-GFCCVEGCSA-N -1 0 342.779 2.654 20 5 EFBDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001588635020 959648846 /nfs/dbraw/zinc/64/88/46/959648846.db2.gz WZLCPLLYWYPHGK-JTQLQIEISA-N -1 0 346.286 2.882 20 5 EFBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001588640606 959686321 /nfs/dbraw/zinc/68/63/21/959686321.db2.gz KLBXUJIJAIGKKL-GFCCVEGCSA-N -1 0 331.328 2.828 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594262316 959704248 /nfs/dbraw/zinc/70/42/48/959704248.db2.gz HXOQBIFODBDLNK-UHFFFAOYSA-N -1 0 332.287 2.922 20 5 EFBDRM CCN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000233456495 960321902 /nfs/dbraw/zinc/32/19/02/960321902.db2.gz CZXFRYBZXHBVQQ-UHFFFAOYSA-N -1 0 331.166 2.654 20 5 EFBDRM C[C@@H](SCCC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001603281757 972512780 /nfs/dbraw/zinc/51/27/80/972512780.db2.gz PPTMDZWDBUAWGP-SSDOTTSWSA-N -1 0 332.765 2.783 20 5 EFBDRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC001574260003 960564362 /nfs/dbraw/zinc/56/43/62/960564362.db2.gz VCLYWTZUSCQFDV-TTZKWOQHSA-N -1 0 330.296 2.777 20 5 EFBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001254215252 960651746 /nfs/dbraw/zinc/65/17/46/960651746.db2.gz HAZABYKNOOJMGK-UHFFFAOYSA-N -1 0 333.275 2.726 20 5 EFBDRM Cc1c(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC001574297667 960702915 /nfs/dbraw/zinc/70/29/15/960702915.db2.gz CHXDKBJIISKJMR-SOFGYWHQSA-N -1 0 330.296 2.524 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001574322557 960831754 /nfs/dbraw/zinc/83/17/54/960831754.db2.gz RVMOLKVDOWDJQG-UHFFFAOYSA-N -1 0 344.323 2.927 20 5 EFBDRM Cc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC001574338102 960920293 /nfs/dbraw/zinc/92/02/93/960920293.db2.gz AHCXGRQGIYQYKN-UHFFFAOYSA-N -1 0 329.312 2.923 20 5 EFBDRM Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001574341412 960940226 /nfs/dbraw/zinc/94/02/26/960940226.db2.gz QVAQKVICDMJEEP-UHFFFAOYSA-N -1 0 330.296 2.619 20 5 EFBDRM Cc1cc(OCC(=O)Nc2sccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574343378 960952647 /nfs/dbraw/zinc/95/26/47/960952647.db2.gz SKEJQSCYKCQDKZ-UHFFFAOYSA-N -1 0 336.325 2.680 20 5 EFBDRM Cc1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001574366614 961041249 /nfs/dbraw/zinc/04/12/49/961041249.db2.gz KSZSQUDQBLIUGP-UHFFFAOYSA-N -1 0 334.372 2.656 20 5 EFBDRM Cc1ccc(CNC(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001574367783 961049824 /nfs/dbraw/zinc/04/98/24/961049824.db2.gz MPNXIDOYISILCK-UHFFFAOYSA-N -1 0 343.339 2.601 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574382115 961110965 /nfs/dbraw/zinc/11/09/65/961110965.db2.gz MNDVZYQTIFLABM-HOTGVXAUSA-N -1 0 340.335 2.946 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCC3(CCOCC3)CC2)n1 ZINC001326692606 961117607 /nfs/dbraw/zinc/11/76/07/961117607.db2.gz LDOSRRRJAKKZLW-UHFFFAOYSA-N -1 0 335.360 2.839 20 5 EFBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328494257 961210625 /nfs/dbraw/zinc/21/06/25/961210625.db2.gz MGZFWTJORZYSQH-SNVBAGLBSA-N -1 0 340.401 2.787 20 5 EFBDRM CC(C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC001588786745 961349646 /nfs/dbraw/zinc/34/96/46/961349646.db2.gz LEZGKLKQHDJXAF-NTMALXAHSA-N -1 0 344.323 2.951 20 5 EFBDRM CC(C)(NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001588790419 961360847 /nfs/dbraw/zinc/36/08/47/961360847.db2.gz FXPCJNHZEOQJMZ-FPLPWBNLSA-N -1 0 344.323 2.951 20 5 EFBDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001588808252 961494230 /nfs/dbraw/zinc/49/42/30/961494230.db2.gz NRKXBWJOPSHWSI-JTQLQIEISA-N -1 0 345.149 2.653 20 5 EFBDRM CCOc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001573920622 961533922 /nfs/dbraw/zinc/53/39/22/961533922.db2.gz QWWYLKKVCQOPCB-XQRVVYSFSA-N -1 0 346.295 2.937 20 5 EFBDRM CCOc1cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001573920617 961534202 /nfs/dbraw/zinc/53/42/02/961534202.db2.gz QWWYLKKVCQOPCB-GQCTYLIASA-N -1 0 346.295 2.937 20 5 EFBDRM CN(C)c1cc(F)c(C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001573991170 961828004 /nfs/dbraw/zinc/82/80/04/961828004.db2.gz CEDZHDSBGVRMNA-UHFFFAOYSA-N -1 0 347.302 2.750 20 5 EFBDRM O=C([O-])c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC001574538747 961936733 /nfs/dbraw/zinc/93/67/33/961936733.db2.gz 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ZINC001605077308 972710962 /nfs/dbraw/zinc/71/09/62/972710962.db2.gz VWBJRVCENPHMFN-LSDHHAIUSA-N -1 0 340.335 2.946 20 5 EFBDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001605122506 972783846 /nfs/dbraw/zinc/78/38/46/972783846.db2.gz KWIWQJXHROIUEZ-AWEZNQCLSA-N -1 0 332.287 2.598 20 5 EFBDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001605132350 972796344 /nfs/dbraw/zinc/79/63/44/972796344.db2.gz HKHHCZDUNMBOCJ-UHFFFAOYSA-N -1 0 340.335 2.800 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001605171360 972873654 /nfs/dbraw/zinc/87/36/54/972873654.db2.gz XPFPHVLLWZIHTE-VHSXEESVSA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605173001 972880365 /nfs/dbraw/zinc/88/03/65/972880365.db2.gz IZRUSHWQRWTUSP-BDAKNGLRSA-N -1 0 327.720 2.963 20 5 EFBDRM Cc1cc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001605216868 972964181 /nfs/dbraw/zinc/96/41/81/972964181.db2.gz SFBAOWUPAIDEPT-UHFFFAOYSA-N -1 0 344.323 2.548 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1coc(/C=C\C(=O)[O-])c1)CC2 ZINC001605224730 972976636 /nfs/dbraw/zinc/97/66/36/972976636.db2.gz WIQPBBLVDIAQLS-IHWYPQMZSA-N -1 0 342.307 2.797 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC001605225083 972977756 /nfs/dbraw/zinc/97/77/56/972977756.db2.gz MZMSTHGQMBEBHA-DTWKUNHWSA-N -1 0 326.736 2.540 20 5 EFBDRM C[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001603407689 973072998 /nfs/dbraw/zinc/07/29/98/973072998.db2.gz OFAMOECVRLZTAV-XPTSAGLGSA-N -1 0 340.763 2.502 20 5 EFBDRM C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001603407688 973073505 /nfs/dbraw/zinc/07/35/05/973073505.db2.gz OFAMOECVRLZTAV-OTYXRUKQSA-N -1 0 340.763 2.502 20 5 EFBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001604382535 973102007 /nfs/dbraw/zinc/10/20/07/973102007.db2.gz SXFCUEHSSAIKKU-KCJUWKMLSA-N -1 0 342.735 2.700 20 5 EFBDRM C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C(=O)[O-] ZINC001603416182 973114585 /nfs/dbraw/zinc/11/45/85/973114585.db2.gz NSNVYUNWIAGMSK-IUODEOHRSA-N -1 0 346.383 2.586 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001605328170 973179340 /nfs/dbraw/zinc/17/93/40/973179340.db2.gz LJLBQUYMHHYRJK-MLGOLLRUSA-N -1 0 342.351 2.949 20 5 EFBDRM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001603433970 973195680 /nfs/dbraw/zinc/19/56/80/973195680.db2.gz KPCJWWZIKVHMQQ-IONNQARKSA-N -1 0 333.266 2.556 20 5 EFBDRM Cc1cccc([C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C(=O)[O-])c1 ZINC001605329291 973197037 /nfs/dbraw/zinc/19/70/37/973197037.db2.gz IQPOPEOOMLALKQ-INIZCTEOSA-N -1 0 341.323 2.960 20 5 EFBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001606117043 973347610 /nfs/dbraw/zinc/34/76/10/973347610.db2.gz RTBNBEKEXPLBDL-CQSZACIVSA-N -1 0 349.387 2.566 20 5 EFBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001606117490 973350194 /nfs/dbraw/zinc/35/01/94/973350194.db2.gz WIGJZLQWEVGMKQ-CYBMUJFWSA-N -1 0 338.335 2.522 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001603575597 973724324 /nfs/dbraw/zinc/72/43/24/973724324.db2.gz WPUOVIZUCOABSB-DZGCQCFKSA-N -1 0 336.388 2.779 20 5 EFBDRM CC[C@@H](OC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-] ZINC001603588141 973788161 /nfs/dbraw/zinc/78/81/61/973788161.db2.gz ZWXHSCOBHWRFMB-CQSZACIVSA-N -1 0 325.320 2.701 20 5 EFBDRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001606459130 973906683 /nfs/dbraw/zinc/90/66/83/973906683.db2.gz YKQKRJXROANXNF-VXNVDRBHSA-N -1 0 338.366 2.779 20 5 EFBDRM O=C([O-])c1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001606511696 974004879 /nfs/dbraw/zinc/00/48/79/974004879.db2.gz OLXFCCQKODOYQM-UHFFFAOYSA-N -1 0 341.323 2.518 20 5 EFBDRM CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)C(=O)[O-] ZINC001603715487 974136299 /nfs/dbraw/zinc/13/62/99/974136299.db2.gz HBTMHTMSMMHEPU-SSDOTTSWSA-N -1 0 347.274 2.523 20 5 EFBDRM O=C([O-])C1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC001605709646 974140137 /nfs/dbraw/zinc/14/01/37/974140137.db2.gz SYYZCJYBEPLILZ-UHFFFAOYSA-N -1 0 340.763 2.694 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(F)c1 ZINC001605710024 974141608 /nfs/dbraw/zinc/14/16/08/974141608.db2.gz TUSJFTODCVOFIG-UHFFFAOYSA-N -1 0 336.250 2.752 20 5 EFBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001591672458 975435020 /nfs/dbraw/zinc/43/50/20/975435020.db2.gz TZJJYVILGGKHKT-UHFFFAOYSA-N -1 0 344.327 2.761 20 5 EFBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001591672554 975436265 /nfs/dbraw/zinc/43/62/65/975436265.db2.gz ZBHRJOQJBABMLC-UHFFFAOYSA-N -1 0 346.343 2.704 20 5 EFBDRM CC(C)OC(=O)[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001591678616 975466449 /nfs/dbraw/zinc/46/64/49/975466449.db2.gz NCSMSJUAKQHKMI-MRVPVSSYSA-N -1 0 344.751 2.723 20 5 EFBDRM CC(C)OCC[C@H](O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC001591719883 975647627 /nfs/dbraw/zinc/64/76/27/975647627.db2.gz UTWHDYUJZSUXMT-JTQLQIEISA-N -1 0 347.751 2.501 20 5 EFBDRM CC(C)O[C@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001591737354 975736637 /nfs/dbraw/zinc/73/66/37/975736637.db2.gz SWYZBGLJIGKAOW-WAAGHKOSSA-N -1 0 339.304 2.569 20 5 EFBDRM CC(C)Oc1c(NC(=O)c2ccc([N+](=O)[O-])n2C)cccc1C(=O)[O-] ZINC001591746944 975788844 /nfs/dbraw/zinc/78/88/44/975788844.db2.gz WEFBYPLLZPNRBW-UHFFFAOYSA-N -1 0 347.327 2.671 20 5 EFBDRM CC(C)Oc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)ccc1[N+](=O)[O-] ZINC001591751515 975806182 /nfs/dbraw/zinc/80/61/82/975806182.db2.gz VOAZGRZMLZKYRE-UHFFFAOYSA-N -1 0 348.311 2.603 20 5 EFBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)CC(=O)[O-] ZINC001591791141 975980870 /nfs/dbraw/zinc/98/08/70/975980870.db2.gz LOWGTVPUDVTKSG-UHFFFAOYSA-N -1 0 339.344 2.926 20 5 EFBDRM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001591943262 976476841 /nfs/dbraw/zinc/47/68/41/976476841.db2.gz QQYSBMZOKLCJHL-PEBVRCNWSA-N -1 0 332.356 2.701 20 5 EFBDRM CC(C)c1ccc(C(=O)Nc2nc(C(=O)[O-])ns2)cc1[N+](=O)[O-] ZINC001591947251 976489354 /nfs/dbraw/zinc/48/93/54/976489354.db2.gz JBBRTQZEEPQYFA-UHFFFAOYSA-N -1 0 336.329 2.520 20 5 EFBDRM CC(C)n1cc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])nn1 ZINC001592127077 976957002 /nfs/dbraw/zinc/95/70/02/976957002.db2.gz XWWLYPCFLTZLCU-UHFFFAOYSA-N -1 0 339.739 2.731 20 5 EFBDRM O=C([O-])c1ccnc(Oc2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000703823534 977205977 /nfs/dbraw/zinc/20/59/77/977205977.db2.gz FMUGOLMWLQQALE-UHFFFAOYSA-N -1 0 340.089 2.638 20 5 EFBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC001592303918 977660826 /nfs/dbraw/zinc/66/08/26/977660826.db2.gz NXKNEYXVVZACHR-CQSZACIVSA-N -1 0 344.726 2.761 20 5 EFBDRM C[C@](CC(=O)[O-])(NCc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC001592320172 977714976 /nfs/dbraw/zinc/71/49/76/977714976.db2.gz XLQSUQGIAWPZQX-MRXNPFEDSA-N 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327.358 2.729 20 5 EFBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000864197769 979866898 /nfs/dbraw/zinc/86/68/98/979866898.db2.gz LHBAMRLIYQDINI-QGZVFWFLSA-N -1 0 347.371 2.542 20 5 EFBDRM COc1ccc(C(=O)[O-])c2c1CN(c1sccc1[N+](=O)[O-])CC2 ZINC000871867432 979976728 /nfs/dbraw/zinc/97/67/28/979976728.db2.gz LZPJWVPJFPDSBG-UHFFFAOYSA-N -1 0 334.353 2.926 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001595211213 979989830 /nfs/dbraw/zinc/98/98/30/979989830.db2.gz DTHYSRWAJZTNSN-CFVMTHIKSA-N -1 0 334.372 2.533 20 5 EFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC001595211742 979993850 /nfs/dbraw/zinc/99/38/50/979993850.db2.gz IUMONQQHPPSKJU-GUYCJALGSA-N -1 0 336.388 2.923 20 5 EFBDRM CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)C(=O)[O-] ZINC001595348376 980646449 /nfs/dbraw/zinc/64/64/49/980646449.db2.gz JZRDHHOGAGQTNE-XCBNKYQSSA-N -1 0 347.270 2.852 20 5 EFBDRM 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CCCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)C(C(=O)[O-])=C1C ZINC001595749469 982424942 /nfs/dbraw/zinc/42/49/42/982424942.db2.gz IEAMFLTVPOCRAA-GFCCVEGCSA-N -1 0 339.373 2.881 20 5 EFBDRM CC[C@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC)C(=O)[O-] ZINC001594944531 982627894 /nfs/dbraw/zinc/62/78/94/982627894.db2.gz GOPSMIIWMQOJQK-CABZTGNLSA-N -1 0 340.401 2.936 20 5 EFBDRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001574584926 983260712 /nfs/dbraw/zinc/26/07/12/983260712.db2.gz JGKYUAHFFPKDQV-OAGGEKHMSA-N -1 0 340.335 2.640 20 5 EFBDRM CCC[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001596014490 983275219 /nfs/dbraw/zinc/27/52/19/983275219.db2.gz SXFFQFBTNHIHKA-LBPRGKRZSA-N -1 0 328.752 2.550 20 5 EFBDRM CCN(CC)C(=O)CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001596246051 983645359 /nfs/dbraw/zinc/64/53/59/983645359.db2.gz QACVFSARGNTAOT-NTMALXAHSA-N -1 0 349.387 2.753 20 5 EFBDRM CCNc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC001596501423 984255484 /nfs/dbraw/zinc/25/54/84/984255484.db2.gz ULTZUILZDNSSEZ-QQVUYCAZSA-N -1 0 349.387 2.790 20 5 EFBDRM CCOC(=O)[C@@H](CC)Sc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001596527832 984347433 /nfs/dbraw/zinc/34/74/33/984347433.db2.gz PHVQGXNZGKDCRD-LLVKDONJSA-N -1 0 327.358 2.656 20 5 EFBDRM CCOC(=O)CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001596607973 984571047 /nfs/dbraw/zinc/57/10/47/984571047.db2.gz ZHDWKBFXTMSYEE-UHFFFAOYSA-N -1 0 330.724 2.702 20 5 EFBDRM C[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC001599892985 984718656 /nfs/dbraw/zinc/71/86/56/984718656.db2.gz QZISQSOSIMZZNO-GFVADAIESA-N -1 0 330.296 2.777 20 5 EFBDRM C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC001599894252 984732960 /nfs/dbraw/zinc/73/29/60/984732960.db2.gz MSPLFZFMPNZPLQ-KHIZAZIESA-N -1 0 347.371 2.695 20 5 EFBDRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001599894954 984741569 /nfs/dbraw/zinc/74/15/69/984741569.db2.gz 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CC(=O)Nc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C ZINC001589199295 985629073 /nfs/dbraw/zinc/62/90/73/985629073.db2.gz CBXBCVPTQKFMQB-UHFFFAOYSA-N -1 0 330.300 2.698 20 5 EFBDRM CC(=O)Nc1ccc(Oc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001589199794 985639268 /nfs/dbraw/zinc/63/92/68/985639268.db2.gz DOGSTUQVXTUIML-UHFFFAOYSA-N -1 0 331.284 2.747 20 5 EFBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001599956238 985694228 /nfs/dbraw/zinc/69/42/28/985694228.db2.gz OCJQRVDJQTUJMQ-UHFFFAOYSA-N -1 0 345.355 2.553 20 5 EFBDRM CC(=O)OCCCSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001589229739 985769015 /nfs/dbraw/zinc/76/90/15/985769015.db2.gz VRJLELCGSFKCJL-GQCTYLIASA-N -1 0 325.342 2.738 20 5 EFBDRM CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589253603 985876071 /nfs/dbraw/zinc/87/60/71/985876071.db2.gz NVBZJCUXJXJXLD-SJKOYZFVSA-N -1 0 332.356 2.879 20 5 EFBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC(C)(C)O1 ZINC001594575894 986415182 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328.371 2.604 20 5 EFBDRM C[C@H]1CC(C)(C)CN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001339554145 1331896560 /nfs/dbraw/zinc/89/65/60/1331896560.db2.gz PIBJOGJXJYZHCB-JTQLQIEISA-N -1 0 331.376 2.721 20 5 EFBDRM C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)[C@@H](C)[C@H]1C ZINC001339667922 1331926428 /nfs/dbraw/zinc/92/64/28/1331926428.db2.gz UQOUIRWTECGTJO-VWYCJHECSA-N -1 0 331.376 2.577 20 5 EFBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001340993582 1332225651 /nfs/dbraw/zinc/22/56/51/1332225651.db2.gz QBEIGXFWDQIPJI-PHIMTYICSA-N -1 0 331.376 2.671 20 5 EFBDRM CC(C)Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001343512572 1332353251 /nfs/dbraw/zinc/35/32/51/1332353251.db2.gz MKKIFGDHBFBPQK-UHFFFAOYSA-N -1 0 331.376 2.815 20 5 EFBDRM CC(C)Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCCC1 ZINC001344879470 1332490749 /nfs/dbraw/zinc/49/07/49/1332490749.db2.gz FKJCVVRTMRFHIZ-UHFFFAOYSA-N -1 0 331.376 2.815 20 5 EFBDRM 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Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000826254463 1442001917 /nfs/dbraw/zinc/00/19/17/1442001917.db2.gz MPIHCAJNXSWANV-UHFFFAOYSA-N -1 0 345.340 2.502 20 5 EFBDRM Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC000822191147 1442018778 /nfs/dbraw/zinc/01/87/78/1442018778.db2.gz GJUBEEZZYXFJQC-SECBINFHSA-N -1 0 343.322 2.791 20 5 EFBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(Cl)cc1 ZINC000823630493 1442051840 /nfs/dbraw/zinc/05/18/40/1442051840.db2.gz YFGGFELDBLZDNE-UHFFFAOYSA-N -1 0 334.748 2.975 20 5 EFBDRM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000821749505 1442178218 /nfs/dbraw/zinc/17/82/18/1442178218.db2.gz POZHUBNSSZDDBZ-UHFFFAOYSA-N -1 0 341.327 2.671 20 5 EFBDRM COc1cc(COc2cc(-c3nn[n-]n3)ccc2C)ccc1[N+](=O)[O-] ZINC000826179825 1442489591 /nfs/dbraw/zinc/48/95/91/1442489591.db2.gz GLSFZUNRRJHQDU-UHFFFAOYSA-N -1 0 341.327 2.671 20 5 EFBDRM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000823645959 1442494690 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717823065 /nfs/dbraw/zinc/82/30/65/717823065.db2.gz MXNJAINHOYRAKS-UHFFFAOYSA-N -1 0 337.313 2.612 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013449545 718993973 /nfs/dbraw/zinc/99/39/73/718993973.db2.gz MIWWBCUIJVWAMG-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM Cc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)ccc1[N+](=O)[O-] ZINC000013448816 718994559 /nfs/dbraw/zinc/99/45/59/718994559.db2.gz STKOZDSYCODIQF-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM CCc1[nH]nc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1[N+](=O)[O-] ZINC000178645979 720303726 /nfs/dbraw/zinc/30/37/26/720303726.db2.gz KCLFEQXNNUVUSQ-UHFFFAOYSA-N -1 0 333.329 2.563 20 5 EFBDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000178765558 720765942 /nfs/dbraw/zinc/76/59/42/720765942.db2.gz SGWNQQBGGCVBER-UHFFFAOYSA-N -1 0 340.401 2.760 20 5 EFBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000047417716 721065991 /nfs/dbraw/zinc/06/59/91/721065991.db2.gz QQTBELSXVQFLBD-UHFFFAOYSA-N -1 0 332.259 2.813 20 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IXTHNGUNCRCFRI-UHFFFAOYSA-N -1 0 343.357 2.580 20 5 EFBDRM C[C@H]1CCCN(c2ccc(C(=O)OC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])C1 ZINC001594389952 999478205 /nfs/dbraw/zinc/47/82/05/999478205.db2.gz ZHHLQGCUEZLAGN-NSHDSACASA-N -1 0 348.355 2.605 20 5 EFBDRM C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC001594402136 999506115 /nfs/dbraw/zinc/50/61/15/999506115.db2.gz PRSABSNEODKLBJ-NOZJJQNGSA-N -1 0 340.763 2.502 20 5 EFBDRM C[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC001594431656 999606644 /nfs/dbraw/zinc/60/66/44/999606644.db2.gz JKIQGHDGBMJFQD-QMMMGPOBSA-N -1 0 341.345 2.533 20 5 EFBDRM Cc1ccc(SCc2cccnc2[N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001581214015 1091095037 /nfs/dbraw/zinc/09/50/37/1091095037.db2.gz WDPPZDVQGOYITE-UHFFFAOYSA-N -1 0 328.357 2.771 20 5 EFBDRM O=[N+]([O-])c1c(NC[C@@H]2CCc3ccccc32)cccc1-c1nn[nH]n1 ZINC001582801606 1091667364 /nfs/dbraw/zinc/66/73/64/1091667364.db2.gz BECLKCKVPARFAF-LBPRGKRZSA-N -1 0 336.355 2.917 20 5 EFBDRM C[C@@H](CCSc1ccccc1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001589835276 1093156013 /nfs/dbraw/zinc/15/60/13/1093156013.db2.gz QJDFBKPCWGEDPW-JTQLQIEISA-N -1 0 345.388 2.715 20 5 EFBDRM CC[C@@H](C)CON=c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409659 1093409918 /nfs/dbraw/zinc/40/99/18/1093409918.db2.gz IVPWRLZVPROMET-SECBINFHSA-N -1 0 343.347 2.713 20 5 EFBDRM CC(C)(C)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001590441491 1093422662 /nfs/dbraw/zinc/42/26/62/1093422662.db2.gz SICCCTPSOTUKFS-CQSZACIVSA-N -1 0 345.355 2.559 20 5 EFBDRM Cc1cc(NCc2cc(-c3nn[nH]n3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001592052250 1093966865 /nfs/dbraw/zinc/96/68/65/1093966865.db2.gz GCXFFCKSOOTWCX-UHFFFAOYSA-N -1 0 346.297 2.974 20 5 EFBDRM Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)ncc1-c1nn[nH]n1 ZINC001592052187 1093967174 /nfs/dbraw/zinc/96/71/74/1093967174.db2.gz BOQLADBNSKRVMQ-UHFFFAOYSA-N -1 0 345.750 2.744 20 5 EFBDRM C[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592698763 1094182271 /nfs/dbraw/zinc/18/22/71/1094182271.db2.gz MZDJNWBJNGHQMX-NSHDSACASA-N -1 0 328.324 2.827 20 5 EFBDRM C[C@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1)C(=O)[O-] ZINC001592873639 1094198904 /nfs/dbraw/zinc/19/89/04/1094198904.db2.gz XTPZBGYEHCNMBE-SNVBAGLBSA-N -1 0 343.339 2.693 20 5 EFBDRM CCc1[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c(C)c1C(=O)[O-] ZINC001597372919 1094583334 /nfs/dbraw/zinc/58/33/34/1094583334.db2.gz JSHGGQQXMUCJGV-UHFFFAOYSA-N -1 0 346.343 2.786 20 5 EFBDRM CCn1ccc(CN(C)c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001597904457 1094638297 /nfs/dbraw/zinc/63/82/97/1094638297.db2.gz KOUOTQZMVBNINR-UHFFFAOYSA-N -1 0 348.315 2.659 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001600020413 1094724942 /nfs/dbraw/zinc/72/49/42/1094724942.db2.gz DEMZOMPELZUFLB-NSHDSACASA-N -1 0 338.335 2.759 20 5 EFBDRM Cc1c(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031445 1094729483 /nfs/dbraw/zinc/72/94/83/1094729483.db2.gz WPNAFJUIRHDZTN-QPUJVOFHSA-N -1 0 334.328 2.545 20 5 EFBDRM Cc1c(NC(=O)/C=C\c2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600032861 1094729816 /nfs/dbraw/zinc/72/98/16/1094729816.db2.gz IYVHDFJFEVNDFV-PLNGDYQASA-N -1 0 327.296 2.648 20 5 EFBDRM Cc1c(NC(=O)C2(C(F)F)CCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031597 1094729968 /nfs/dbraw/zinc/72/99/68/1094729968.db2.gz YUGXJTMHSHPQQL-UHFFFAOYSA-N -1 0 328.271 2.975 20 5 EFBDRM Cc1c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031443 1094730093 /nfs/dbraw/zinc/73/00/93/1094730093.db2.gz WPNAFJUIRHDZTN-PELKAZGASA-N -1 0 334.328 2.545 20 5 EFBDRM Cc1c(NC(=O)NC[C@@H]2CCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042072 1094735300 /nfs/dbraw/zinc/73/53/00/1094735300.db2.gz CZBBMMZEZRHZTM-JTQLQIEISA-N -1 0 339.373 2.619 20 5 EFBDRM Cc1c(NC(=O)NCCc2ccoc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041459 1094735366 /nfs/dbraw/zinc/73/53/66/1094735366.db2.gz AQASEFHVKWCYFL-UHFFFAOYSA-N -1 0 333.300 2.559 20 5 EFBDRM Cc1c(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001600045203 1094738695 /nfs/dbraw/zinc/73/86/95/1094738695.db2.gz DCGHNCGWBOYMEL-UHFFFAOYSA-N -1 0 347.331 2.563 20 5 EFBDRM Cc1c(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cccc1[N+](=O)[O-] ZINC001600044888 1094739171 /nfs/dbraw/zinc/73/91/71/1094739171.db2.gz VRVDYHRTJCFGBU-UZWSLXQKSA-N -1 0 333.344 2.524 20 5 EFBDRM Cc1c(NC(=O)c2ccc3nccn3c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046253 1094740043 /nfs/dbraw/zinc/74/00/43/1094740043.db2.gz JADHROBMDAXCNB-UHFFFAOYSA-N -1 0 340.295 2.501 20 5 EFBDRM Cc1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600085419 1094762352 /nfs/dbraw/zinc/76/23/52/1094762352.db2.gz OTJUDKXCEVTBTK-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM Cc1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)oc1C(=O)[O-] ZINC001600085143 1094762384 /nfs/dbraw/zinc/76/23/84/1094762384.db2.gz HAWVWNJNPOKTCH-UHFFFAOYSA-N -1 0 334.259 2.536 20 5 EFBDRM Cc1cc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC001600087994 1094763595 /nfs/dbraw/zinc/76/35/95/1094763595.db2.gz KGLAHLCYDOHJRO-QMMMGPOBSA-N -1 0 335.341 2.549 20 5 EFBDRM Cc1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001600088631 1094763889 /nfs/dbraw/zinc/76/38/89/1094763889.db2.gz JJXVLLDDHDWXIU-ZDUSSCGKSA-N -1 0 349.387 2.639 20 5 EFBDRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001600097504 1094768252 /nfs/dbraw/zinc/76/82/52/1094768252.db2.gz NDCXQNHDFXNONO-HNNXBMFYSA-N -1 0 342.351 2.719 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC001600105767 1094773500 /nfs/dbraw/zinc/77/35/00/1094773500.db2.gz LXCDENXTOCHRQX-UHFFFAOYSA-N -1 0 332.272 2.517 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3ccccn3)C2)n1 ZINC001600105877 1094773669 /nfs/dbraw/zinc/77/36/69/1094773669.db2.gz YDBMNTHDCRHSMZ-LBPRGKRZSA-N -1 0 342.355 2.775 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2Cc3ccccc3OC[C@@H]2C)n1 ZINC001600105296 1094774574 /nfs/dbraw/zinc/77/45/74/1094774574.db2.gz PANBFYFBGNVCDI-NSHDSACASA-N -1 0 343.339 2.784 20 5 EFBDRM Cc1cc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])ccc1F ZINC001600150737 1094812778 /nfs/dbraw/zinc/81/27/78/1094812778.db2.gz PSEBPMMIJNAABR-INIZCTEOSA-N -1 0 346.314 2.527 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001600165183 1094828167 /nfs/dbraw/zinc/82/81/67/1094828167.db2.gz XIALJXVJTDWKAX-GFCCVEGCSA-N -1 0 335.360 2.834 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600164904 1094828219 /nfs/dbraw/zinc/82/82/19/1094828219.db2.gz QVXHNHLQENNIMG-SJCJKPOMSA-N -1 0 332.356 2.539 20 5 EFBDRM Cc1cc(C)cc([C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001600170652 1094836976 /nfs/dbraw/zinc/83/69/76/1094836976.db2.gz UNTXVXDUAKTIII-HNNXBMFYSA-N -1 0 346.314 2.906 20 5 EFBDRM Cc1cc(C)n([C@H](C)CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600178106 1094845591 /nfs/dbraw/zinc/84/55/91/1094845591.db2.gz QEIRBUSJOVSNSG-LLVKDONJSA-N -1 0 347.327 2.663 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1[N+](=O)[O-] ZINC001600216785 1094891979 /nfs/dbraw/zinc/89/19/79/1094891979.db2.gz JRRYLXNTTJEQQW-PSLIRLAXSA-N -1 0 338.747 2.636 20 5 EFBDRM Cc1cc(Cl)c(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600215803 1094892242 /nfs/dbraw/zinc/89/22/42/1094892242.db2.gz HGXPXZMKVQWYCD-AMIZOPFISA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001600219137 1094895964 /nfs/dbraw/zinc/89/59/64/1094895964.db2.gz RSVJOPLAVLFTQW-UHFFFAOYSA-N -1 0 340.763 2.931 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC001600218951 1094896423 /nfs/dbraw/zinc/89/64/23/1094896423.db2.gz IFJHBCQBVQIUFN-AWEZNQCLSA-N -1 0 326.736 2.540 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001600219030 1094896895 /nfs/dbraw/zinc/89/68/95/1094896895.db2.gz LTBLTDZRGMSMND-JTQLQIEISA-N -1 0 340.763 2.787 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001600219002 1094897187 /nfs/dbraw/zinc/89/71/87/1094897187.db2.gz LCCDISIFZMRGGL-QPUJVOFHSA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001600219001 1094897598 /nfs/dbraw/zinc/89/75/98/1094897598.db2.gz LCCDISIFZMRGGL-PRHODGIISA-N -1 0 340.763 2.882 20 5 EFBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001600229748 1094903078 /nfs/dbraw/zinc/90/30/78/1094903078.db2.gz HFFFZKFZMBKFEQ-UHFFFAOYSA-N -1 0 333.275 2.575 20 5 EFBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001600230021 1094904004 /nfs/dbraw/zinc/90/40/04/1094904004.db2.gz OYGZNHQTLSWMBL-GFCCVEGCSA-N -1 0 338.316 2.660 20 5 EFBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 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/nfs/dbraw/zinc/55/06/78/293550678.db2.gz SBHDQDYAKVFLBO-UHFFFAOYSA-N -1 0 338.323 2.798 20 5 EFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1c(F)cccc1F ZINC000158907315 293588335 /nfs/dbraw/zinc/58/83/35/293588335.db2.gz YHDGEKJIEHPPAR-UHFFFAOYSA-N -1 0 344.295 2.688 20 5 EFBDRM CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1[N+](=O)[O-] ZINC000236885107 293604975 /nfs/dbraw/zinc/60/49/75/293604975.db2.gz WFDKGLOTGYURME-UHFFFAOYSA-N -1 0 332.316 2.529 20 5 EFBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC1(C(=O)[O-])CCCCC1 ZINC000254999332 293831366 /nfs/dbraw/zinc/83/13/66/293831366.db2.gz OHVRBEPVISVZII-FPLPWBNLSA-N -1 0 332.356 2.759 20 5 EFBDRM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000255557377 293867863 /nfs/dbraw/zinc/86/78/63/293867863.db2.gz JDQMGYQLPRYZKS-XQRVVYSFSA-N -1 0 336.735 2.648 20 5 EFBDRM O=C([N-]C[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1)C(F)(F)F ZINC000290813717 294192231 /nfs/dbraw/zinc/19/22/31/294192231.db2.gz ZZWZBDUXPUBYKF-SECBINFHSA-N -1 0 349.284 2.629 20 5 EFBDRM COc1cccc(C2(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)c1 ZINC000291096544 294273728 /nfs/dbraw/zinc/27/37/28/294273728.db2.gz AZWPOWYHKAYFEN-UHFFFAOYSA-N -1 0 342.351 2.771 20 5 EFBDRM COc1cccc(C2(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)c1 ZINC000291183961 294302758 /nfs/dbraw/zinc/30/27/58/294302758.db2.gz JZJZPHQZLZAZLB-UHFFFAOYSA-N -1 0 342.351 2.771 20 5 EFBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1snnc1C1CC1 ZINC000291203557 294309287 /nfs/dbraw/zinc/30/92/87/294309287.db2.gz QKAIQPLIBZXLQJ-UHFFFAOYSA-N -1 0 326.284 2.854 20 5 EFBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1OCCc2sccc21 ZINC000294276800 295139779 /nfs/dbraw/zinc/13/97/79/295139779.db2.gz QEEGOXHOCNQBCO-BJOHPYRUSA-N -1 0 348.380 2.794 20 5 EFBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294538410 295182900 /nfs/dbraw/zinc/18/29/00/295182900.db2.gz IKZOJVISOCCHRJ-OZSKJFCKSA-N -1 0 332.356 2.567 20 5 EFBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1OCCc2sccc21 ZINC000294686218 295207764 /nfs/dbraw/zinc/20/77/64/295207764.db2.gz PWVRMXRQKDERAR-BJOHPYRUSA-N -1 0 348.380 2.794 20 5 EFBDRM C[C@@H]1COc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371733880 297168156 /nfs/dbraw/zinc/16/81/56/297168156.db2.gz MJBSRLRSIDLFOR-LLVKDONJSA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000263209335 297343952 /nfs/dbraw/zinc/34/39/52/297343952.db2.gz NGNFYLUIBFAWKK-SFYZADRCSA-N -1 0 333.266 2.556 20 5 EFBDRM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377117072 297653473 /nfs/dbraw/zinc/65/34/73/297653473.db2.gz ZXDYINVGHLYNNK-VXJOIVPMSA-N -1 0 332.287 2.692 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262005558 297877018 /nfs/dbraw/zinc/87/70/18/297877018.db2.gz VSZOYEYESOGJFW-CQSZACIVSA-N -1 0 326.736 2.575 20 5 EFBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000427969441 298210746 /nfs/dbraw/zinc/21/07/46/298210746.db2.gz ZAJSPHJNDLHSMA-LLVKDONJSA-N -1 0 344.323 2.932 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000182914097 300193494 /nfs/dbraw/zinc/19/34/94/300193494.db2.gz RKFQVXMWWLJEGA-BLLLJJGKSA-N -1 0 342.351 2.903 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000182864768 300193570 /nfs/dbraw/zinc/19/35/70/300193570.db2.gz NYXGXYRKEHQKGG-VIFPVBQESA-N -1 0 332.287 2.867 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc2O1 ZINC000355911927 300194214 /nfs/dbraw/zinc/19/42/14/300194214.db2.gz ZLSHOCMTKKZRHM-NSHDSACASA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2ccccc2O1 ZINC000436691795 300194442 /nfs/dbraw/zinc/19/44/42/300194442.db2.gz YYIDBTQNUFQVHE-NSHDSACASA-N -1 0 328.324 2.724 20 5 EFBDRM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000377129986 300646648 /nfs/dbraw/zinc/64/66/48/300646648.db2.gz NENDUXNNENMBMT-GLEZIHRCSA-N -1 0 332.287 2.692 20 5 EFBDRM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436737226 300646656 /nfs/dbraw/zinc/64/66/56/300646656.db2.gz PRRNQHIIRJRYGI-GLEZIHRCSA-N -1 0 332.287 2.692 20 5 EFBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000263165436 300664290 /nfs/dbraw/zinc/66/42/90/300664290.db2.gz KAVGSYJTIFORMG-JQWIXIFHSA-N -1 0 334.372 2.828 20 5 EFBDRM Cc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]n1C1CCCCC1 ZINC000436610386 301057636 /nfs/dbraw/zinc/05/76/36/301057636.db2.gz TWTWGIVFVAEBJV-UHFFFAOYSA-N -1 0 344.371 2.985 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263378460 301202489 /nfs/dbraw/zinc/20/24/89/301202489.db2.gz BFICPZPRWXOGJY-SCLBCKFNSA-N -1 0 346.383 2.847 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1C ZINC000089626637 301861583 /nfs/dbraw/zinc/86/15/83/301861583.db2.gz XKIXYPATJHWLGU-UHFFFAOYSA-N -1 0 338.389 2.790 20 5 EFBDRM Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc2ccc(F)cc21 ZINC000436820815 302896803 /nfs/dbraw/zinc/89/68/03/302896803.db2.gz SKXNSYXIGSDXSE-UHFFFAOYSA-N -1 0 330.275 2.579 20 5 EFBDRM O=C(NC1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000370318739 303739303 /nfs/dbraw/zinc/73/93/03/303739303.db2.gz MIOPWKKCEBRNLQ-UHFFFAOYSA-N -1 0 334.372 2.770 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CCC[C@@H]3OC(F)F)[n-]2)cc1 ZINC000336914036 304801735 /nfs/dbraw/zinc/80/17/35/304801735.db2.gz LIHFZKPUEQOUCK-MNOVXSKESA-N -1 0 340.286 2.639 20 5 EFBDRM CCc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000179391444 310786563 /nfs/dbraw/zinc/78/65/63/310786563.db2.gz MXNJNGKUONHMLF-UHFFFAOYSA-N -1 0 336.369 2.967 20 5 EFBDRM CCC(CC)(CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000298813665 311025617 /nfs/dbraw/zinc/02/56/17/311025617.db2.gz KJTLPNSLTPJLNI-UHFFFAOYSA-N -1 0 338.360 2.501 20 5 EFBDRM COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000299598447 311101150 /nfs/dbraw/zinc/10/11/50/311101150.db2.gz ROUFRRUSNTVSHX-UHFFFAOYSA-N -1 0 342.351 2.771 20 5 EFBDRM COC(=O)c1cnc([N-]c2ccn(CCC(C)C)n2)c([N+](=O)[O-])c1 ZINC000302793024 311201632 /nfs/dbraw/zinc/20/16/32/311201632.db2.gz ZYMLXLOHXFHMQW-UHFFFAOYSA-N -1 0 333.348 2.763 20 5 EFBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000324755727 311242129 /nfs/dbraw/zinc/24/21/29/311242129.db2.gz SSXPFXPERFFKSX-ZDUSSCGKSA-N -1 0 339.323 2.889 20 5 EFBDRM O=C([O-])c1cccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000324646429 311242133 /nfs/dbraw/zinc/24/21/33/311242133.db2.gz WDDLGMWFVDHSOU-FPLPWBNLSA-N -1 0 326.308 2.623 20 5 EFBDRM O=C([O-])CC1(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000325828866 311243750 /nfs/dbraw/zinc/24/37/50/311243750.db2.gz VXIIENOQEJIMKZ-BQYQJAHWSA-N -1 0 332.356 2.902 20 5 EFBDRM CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC000326546158 311244396 /nfs/dbraw/zinc/24/43/96/311244396.db2.gz MEGGTGIFDOGPRB-KTKRTIGZSA-N -1 0 332.356 2.854 20 5 EFBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000326819735 311244584 /nfs/dbraw/zinc/24/45/84/311244584.db2.gz IKZOJVISOCCHRJ-QWPQOLDESA-N -1 0 332.356 2.567 20 5 EFBDRM O=C([O-])c1ccc(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000326712259 311244736 /nfs/dbraw/zinc/24/47/36/311244736.db2.gz ZBPYBZJGXISDQM-KTKRTIGZSA-N -1 0 340.335 2.665 20 5 EFBDRM O=C([O-])c1cccc(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000327404932 311245208 /nfs/dbraw/zinc/24/52/08/311245208.db2.gz KWUKPFPJYALTIY-TWGQIWQCSA-N -1 0 340.335 2.665 20 5 EFBDRM Cc1sc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000331082460 311353004 /nfs/dbraw/zinc/35/30/04/311353004.db2.gz MHOXGMHDMUQUQQ-UHFFFAOYSA-N -1 0 344.418 2.622 20 5 EFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000331605364 311396261 /nfs/dbraw/zinc/39/62/61/311396261.db2.gz VGMQQYUDXGCQDI-MRXNPFEDSA-N -1 0 334.372 2.722 20 5 EFBDRM O=C([O-])c1ccc(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000392295558 311953755 /nfs/dbraw/zinc/95/37/55/311953755.db2.gz ZSKDINZPVIFFJV-TWGQIWQCSA-N -1 0 340.335 2.665 20 5 EFBDRM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000412879342 312028777 /nfs/dbraw/zinc/02/87/77/312028777.db2.gz XVKGISLOMBTIDQ-ZFWWWQNUSA-N -1 0 342.351 2.843 20 5 EFBDRM CN(CCCC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000417742130 312264086 /nfs/dbraw/zinc/26/40/86/312264086.db2.gz VPAKCDLCONIKLD-UHFFFAOYSA-N -1 0 347.274 2.525 20 5 EFBDRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969840 312604295 /nfs/dbraw/zinc/60/42/95/312604295.db2.gz ZQQWQIAOKZMHOZ-IRXDYDNUSA-N -1 0 342.351 2.951 20 5 EFBDRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974519 312605219 /nfs/dbraw/zinc/60/52/19/312605219.db2.gz ZJLLSEJPHACXOX-TVQRCGJNSA-N -1 0 334.278 2.865 20 5 EFBDRM Cn1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2c1cccc2F ZINC000436977274 312605588 /nfs/dbraw/zinc/60/55/88/312605588.db2.gz QZDUGUOUBIUPDT-UHFFFAOYSA-N -1 0 330.275 2.579 20 5 EFBDRM O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436988425 312606532 /nfs/dbraw/zinc/60/65/32/312606532.db2.gz JYOLOSKEHKXZLX-SUMWQHHRSA-N -1 0 342.351 2.808 20 5 EFBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1C ZINC000436986855 312606796 /nfs/dbraw/zinc/60/67/96/312606796.db2.gz HKEHGPVZOMBMNN-UHFFFAOYSA-N -1 0 330.296 2.648 20 5 EFBDRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1[N+](=O)[O-] ZINC000438989598 312629654 /nfs/dbraw/zinc/62/96/54/312629654.db2.gz ZLLGWUVDTGHPSY-UHFFFAOYSA-N -1 0 333.325 2.845 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=NC[C@@H]3CCOC4(CCC4)C3)[n-]2)cc1 ZINC000450721374 312732370 /nfs/dbraw/zinc/73/23/70/312732370.db2.gz WSRKVPWZHDWJMZ-GFCCVEGCSA-N -1 0 344.371 2.828 20 5 EFBDRM CC(C)[C@@H]1C[C@@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000450736267 312735899 /nfs/dbraw/zinc/73/58/99/312735899.db2.gz IAGXWRZPJKBXRJ-WFASDCNBSA-N -1 0 346.387 2.930 20 5 EFBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)CCC3CCCC3)c2c1 ZINC000450981846 312789991 /nfs/dbraw/zinc/78/99/91/312789991.db2.gz AXJQTIZVKBKTAM-UHFFFAOYSA-N -1 0 338.389 2.793 20 5 EFBDRM C[C@](O)(CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000477797241 313245204 /nfs/dbraw/zinc/24/52/04/313245204.db2.gz IPXZPADPHDCFMX-KRWDZBQOSA-N -1 0 346.387 2.810 20 5 EFBDRM O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N=c1ccc(C2CC2)n[n-]1 ZINC000491838378 313785951 /nfs/dbraw/zinc/78/59/51/313785951.db2.gz MCYVOYWWZLGSLH-WAPJZHGLSA-N -1 0 344.758 2.989 20 5 EFBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493271973 314299693 /nfs/dbraw/zinc/29/96/93/314299693.db2.gz UANGGTZCFWJTNO-WRLNGNIRSA-N -1 0 338.335 2.753 20 5 EFBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493271970 314299823 /nfs/dbraw/zinc/29/98/23/314299823.db2.gz UANGGTZCFWJTNO-GMNBZTITSA-N -1 0 338.335 2.753 20 5 EFBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493553276 314398008 /nfs/dbraw/zinc/39/80/08/314398008.db2.gz OWTCLISDMGZJBA-DYLGSBMWSA-N -1 0 338.335 2.705 20 5 EFBDRM COC(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1F ZINC000497230062 315358990 /nfs/dbraw/zinc/35/89/90/315358990.db2.gz WLBBVQHMPHXWDW-UHFFFAOYSA-N -1 0 349.274 2.870 20 5 EFBDRM Cc1cc(N2CCN(Cc3ccco3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000516297258 315670237 /nfs/dbraw/zinc/67/02/37/315670237.db2.gz UHOUBGIZBJOFQL-UHFFFAOYSA-N -1 0 345.355 2.517 20 5 EFBDRM CC(C)c1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000517747188 315778709 /nfs/dbraw/zinc/77/87/09/315778709.db2.gz QJAIZXXXDOCIFF-GFCCVEGCSA-N -1 0 345.359 2.955 20 5 EFBDRM O=C([O-])[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000519545659 315871202 /nfs/dbraw/zinc/87/12/02/315871202.db2.gz PZPJPNVXEVAJRH-JTQLQIEISA-N -1 0 345.277 2.700 20 5 EFBDRM CCN(CCOc1ccccc1C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520235381 315940517 /nfs/dbraw/zinc/94/05/17/315940517.db2.gz ZIXFPBXLVJGNTA-UHFFFAOYSA-N -1 0 345.355 2.902 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCOc2ccccc2)n1 ZINC000520411738 315954617 /nfs/dbraw/zinc/95/46/17/315954617.db2.gz CTTFTMJMOSUZPG-UHFFFAOYSA-N -1 0 331.328 2.512 20 5 EFBDRM O=[N+]([O-])c1c([N-]c2cnn(-c3ccccn3)c2)nc2sccn21 ZINC000523535997 316129068 /nfs/dbraw/zinc/12/90/68/316129068.db2.gz YYOHQUBOSCEZIN-UHFFFAOYSA-N -1 0 327.329 2.628 20 5 EFBDRM C[C@H](Cc1ccsc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000532250992 317374887 /nfs/dbraw/zinc/37/48/87/317374887.db2.gz YXYDREPZMHYLIY-SECBINFHSA-N -1 0 334.353 2.716 20 5 EFBDRM CCC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000532642074 317424756 /nfs/dbraw/zinc/42/47/56/317424756.db2.gz KKCXIEXIIYYHRD-UHFFFAOYSA-N -1 0 343.339 2.579 20 5 EFBDRM O=C([O-])CCC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000539683471 317725275 /nfs/dbraw/zinc/72/52/75/317725275.db2.gz IDILZKRKSVHEBP-UHFFFAOYSA-N -1 0 345.355 2.793 20 5 EFBDRM 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2.901 20 5 EFBDRM Cc1cnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C2CC2)s1 ZINC000179517878 473691923 /nfs/dbraw/zinc/69/19/23/473691923.db2.gz JOZUJGCTYDCPDJ-ZDUSSCGKSA-N -1 0 333.369 2.946 20 5 EFBDRM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186590453 473695057 /nfs/dbraw/zinc/69/50/57/473695057.db2.gz NNMPWRCLHVLFBH-DEOSSOPVSA-N -1 0 348.380 2.740 20 5 EFBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262668152 473707910 /nfs/dbraw/zinc/70/79/10/473707910.db2.gz WLHOVIMKQZQVPD-VHSXEESVSA-N -1 0 338.385 2.540 20 5 EFBDRM CCc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262709310 473714744 /nfs/dbraw/zinc/71/47/44/473714744.db2.gz BGCTXOLMNAIAIZ-CXAGYDPISA-N -1 0 334.372 2.921 20 5 EFBDRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000262727569 473716535 /nfs/dbraw/zinc/71/65/35/473716535.db2.gz TXVLFZRFGOHOTO-JOCQHMNTSA-N -1 0 346.383 2.977 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000173000832 473723135 /nfs/dbraw/zinc/72/31/35/473723135.db2.gz HCRHUOMXQSFOBS-UHFFFAOYSA-N -1 0 328.324 2.574 20 5 EFBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262933860 473739947 /nfs/dbraw/zinc/73/99/47/473739947.db2.gz KESRPNLXIWQJBN-AWEZNQCLSA-N -1 0 328.752 2.867 20 5 EFBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000192923626 473746915 /nfs/dbraw/zinc/74/69/15/473746915.db2.gz AZMYXOCADRGUKV-KBPBESRZSA-N -1 0 346.383 2.977 20 5 EFBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000263445764 473755850 /nfs/dbraw/zinc/75/58/50/473755850.db2.gz NHFCKYZZWIBFEH-HNNXBMFYSA-N -1 0 334.353 2.889 20 5 EFBDRM CN(CCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000269297936 473766026 /nfs/dbraw/zinc/76/60/26/473766026.db2.gz SEOBWAKGQPOORE-UHFFFAOYSA-N -1 0 343.383 2.947 20 5 EFBDRM CS[C@@H]1CCCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000263575914 473782081 /nfs/dbraw/zinc/78/20/81/473782081.db2.gz PSRLMVOXMRAQEA-CYBMUJFWSA-N -1 0 338.385 2.651 20 5 EFBDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000180086273 473795039 /nfs/dbraw/zinc/79/50/39/473795039.db2.gz XAYDJJXCLZEFRF-UHFFFAOYSA-N -1 0 340.332 2.852 20 5 EFBDRM COc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187052539 473809138 /nfs/dbraw/zinc/80/91/38/473809138.db2.gz QIVZNVQGCMUDPP-UHFFFAOYSA-N -1 0 326.305 2.543 20 5 EFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c(F)c1 ZINC000180200769 473826096 /nfs/dbraw/zinc/82/60/96/473826096.db2.gz JEMHRCGQIVBWBO-UHFFFAOYSA-N -1 0 331.712 2.583 20 5 EFBDRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187356413 473862224 /nfs/dbraw/zinc/86/22/24/473862224.db2.gz HDMLIURWQYDKMC-XHDPSFHLSA-N -1 0 327.340 2.919 20 5 EFBDRM O=C(C[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000274732491 473936837 /nfs/dbraw/zinc/93/68/37/473936837.db2.gz DVFOWPPITGFIBB-GFCCVEGCSA-N -1 0 344.323 2.771 20 5 EFBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Oc1ccccc1F ZINC000174543361 474059414 /nfs/dbraw/zinc/05/94/14/474059414.db2.gz MHIPFURSWRZYAH-SNVBAGLBSA-N -1 0 334.303 2.637 20 5 EFBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000275106661 474071704 /nfs/dbraw/zinc/07/17/04/474071704.db2.gz KUXSEQKHHCSOIV-JTQLQIEISA-N -1 0 339.348 2.542 20 5 EFBDRM O=C(NCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182041150 474086916 /nfs/dbraw/zinc/08/69/16/474086916.db2.gz DLZCARFZSXDSQZ-UHFFFAOYSA-N -1 0 347.274 2.706 20 5 EFBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](c2ccsc2)O1 ZINC000182107095 474100570 /nfs/dbraw/zinc/10/05/70/474100570.db2.gz ARNKDNOZAFPRCG-ZUZCIYMTSA-N -1 0 348.380 2.964 20 5 EFBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1COc2ccccc21 ZINC000182158382 474110901 /nfs/dbraw/zinc/11/09/01/474110901.db2.gz RWPUZGZFXRQQLP-IINYFYTJSA-N -1 0 328.324 2.595 20 5 EFBDRM CCOc1nc2cc(C(=O)NCc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000225704545 474237458 /nfs/dbraw/zinc/23/74/58/474237458.db2.gz SVXZZJONGZORFD-UHFFFAOYSA-N -1 0 340.339 2.800 20 5 EFBDRM O=C(NCc1cccc(N2CC=CC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182810188 474262287 /nfs/dbraw/zinc/26/22/87/474262287.db2.gz DAVDVZSDKXQOOR-UHFFFAOYSA-N -1 0 339.351 2.607 20 5 EFBDRM Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000175628895 474267185 /nfs/dbraw/zinc/26/71/85/474267185.db2.gz GQIDXZOVXPDTCD-SNVBAGLBSA-N -1 0 341.414 2.708 20 5 EFBDRM CC(C)c1nnc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn21 ZINC000189082810 474284960 /nfs/dbraw/zinc/28/49/60/474284960.db2.gz YRZVJKPMAFASSP-UHFFFAOYSA-N -1 0 341.327 2.719 20 5 EFBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1[N+](=O)[O-] ZINC000189227315 474330323 /nfs/dbraw/zinc/33/03/23/474330323.db2.gz UYRMGOMYWNZMBA-UHFFFAOYSA-N -1 0 346.368 2.889 20 5 EFBDRM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183463444 474382136 /nfs/dbraw/zinc/38/21/36/474382136.db2.gz BGDPCQJGSRXAFT-VIFPVBQESA-N -1 0 334.353 2.753 20 5 EFBDRM O=C(NC1(c2nccs2)CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183631416 474402264 /nfs/dbraw/zinc/40/22/64/474402264.db2.gz ICMCFJAEVVFTCL-UHFFFAOYSA-N -1 0 333.369 2.956 20 5 EFBDRM CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000176584736 474504266 /nfs/dbraw/zinc/50/42/66/474504266.db2.gz BRSZQNATBJYFMB-LBPRGKRZSA-N -1 0 334.328 2.573 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237953625 474510233 /nfs/dbraw/zinc/51/02/33/474510233.db2.gz BZJDHEBPLSIIHY-JTQLQIEISA-N -1 0 340.763 2.965 20 5 EFBDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000271362331 474510739 /nfs/dbraw/zinc/51/07/39/474510739.db2.gz NOCUURPDKINLPV-UHFFFAOYSA-N -1 0 346.315 2.673 20 5 EFBDRM O=C([O-])C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000237975284 474514158 /nfs/dbraw/zinc/51/41/58/474514158.db2.gz KOZDLJZFBPUHCA-UHFFFAOYSA-N -1 0 347.371 2.686 20 5 EFBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000237991635 474516592 /nfs/dbraw/zinc/51/65/92/474516592.db2.gz YFCCTDZEOLBJLB-RCQQVGEISA-N -1 0 332.356 2.854 20 5 EFBDRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000238011393 474520805 /nfs/dbraw/zinc/52/08/05/474520805.db2.gz HVHZZXQQOCBIPN-DYLHUKMJSA-N -1 0 344.298 2.689 20 5 EFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000184596123 474559119 /nfs/dbraw/zinc/55/91/19/474559119.db2.gz WVYIVHQFMOGTAB-AWEZNQCLSA-N -1 0 346.314 2.733 20 5 EFBDRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])C12CCC2 ZINC000184723296 474595341 /nfs/dbraw/zinc/59/53/41/474595341.db2.gz MHUKVAMOALQOLG-CABCVRRESA-N -1 0 334.372 2.720 20 5 EFBDRM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184745252 474599159 /nfs/dbraw/zinc/59/91/59/474599159.db2.gz AKLCUUHKKQSNFN-UHFFFAOYSA-N -1 0 329.312 2.820 20 5 EFBDRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000184781496 474606760 /nfs/dbraw/zinc/60/67/60/474606760.db2.gz HXHWVYTWGOEHKV-ABAIWWIYSA-N -1 0 327.340 2.919 20 5 EFBDRM Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 ZINC000273132520 474733817 /nfs/dbraw/zinc/73/38/17/474733817.db2.gz GRKPVINGNRYBGH-UHFFFAOYSA-N -1 0 341.367 2.571 20 5 EFBDRM COc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000337259267 474836164 /nfs/dbraw/zinc/83/61/64/474836164.db2.gz VVQJPWUBJRCXNO-UHFFFAOYSA-N -1 0 334.259 2.693 20 5 EFBDRM CCC(CC)(CC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000273343137 474851650 /nfs/dbraw/zinc/85/16/50/474851650.db2.gz NRSVSZIHXZGZTQ-UHFFFAOYSA-N -1 0 338.360 2.501 20 5 EFBDRM O=C(C[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000273388518 474874179 /nfs/dbraw/zinc/87/41/79/474874179.db2.gz GBZYRDPWQFKWOW-GFCCVEGCSA-N -1 0 344.323 2.771 20 5 EFBDRM CCC(CC)(NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000316412100 474878581 /nfs/dbraw/zinc/87/85/81/474878581.db2.gz IWNSNNNSAABSGP-UHFFFAOYSA-N -1 0 326.374 2.690 20 5 EFBDRM CCC(CC)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000316919017 474882404 /nfs/dbraw/zinc/88/24/04/474882404.db2.gz VDYQTZJRPBZMCT-UHFFFAOYSA-N -1 0 328.752 2.869 20 5 EFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000319421328 474900170 /nfs/dbraw/zinc/90/01/70/474900170.db2.gz FPFUJFCWMVQSCW-UHFFFAOYSA-N -1 0 330.381 2.983 20 5 EFBDRM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000319519067 474901125 /nfs/dbraw/zinc/90/11/25/474901125.db2.gz ZOPXOEBGMGHOEK-FOGDFJRCSA-N -1 0 330.381 2.837 20 5 EFBDRM COCC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273460615 474910041 /nfs/dbraw/zinc/91/00/41/474910041.db2.gz FRPHSGQXNGYGCT-GFCCVEGCSA-N -1 0 334.328 2.709 20 5 EFBDRM C[C@H](c1nccs1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339095712 474922825 /nfs/dbraw/zinc/92/28/25/474922825.db2.gz RBNFGAQVJXVAEJ-GFCCVEGCSA-N -1 0 348.428 2.636 20 5 EFBDRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000321357440 474925873 /nfs/dbraw/zinc/92/58/73/474925873.db2.gz AYOIMIIPQPUQFI-UHFFFAOYSA-N -1 0 333.365 2.868 20 5 EFBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000324294724 474965168 /nfs/dbraw/zinc/96/51/68/474965168.db2.gz BIMWKGXEDPOQKV-UHFFFAOYSA-N -1 0 330.296 2.862 20 5 EFBDRM Cc1c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000324960883 474979251 /nfs/dbraw/zinc/97/92/51/474979251.db2.gz KBRLVFFHPQXPKU-AWEZNQCLSA-N -1 0 328.324 2.501 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000324974268 474979638 /nfs/dbraw/zinc/97/96/38/474979638.db2.gz NBCUWSRPBQAGEJ-UHFFFAOYSA-N -1 0 330.296 2.619 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327099715 475016159 /nfs/dbraw/zinc/01/61/59/475016159.db2.gz BGDYFQJIFMBJGN-UHFFFAOYSA-N -1 0 340.335 2.800 20 5 EFBDRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000328251623 475026784 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329.312 2.820 20 5 EFBDRM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164136841 527079128 /nfs/dbraw/zinc/07/91/28/527079128.db2.gz KXUHRHMQUBTFII-SNVBAGLBSA-N -1 0 343.339 2.750 20 5 EFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000120871012 527132247 /nfs/dbraw/zinc/13/22/47/527132247.db2.gz ZYUWAQAXTGNWKH-UHFFFAOYSA-N -1 0 325.280 2.807 20 5 EFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000127272110 527333889 /nfs/dbraw/zinc/33/38/89/527333889.db2.gz HIGNFKXOMROABX-UHFFFAOYSA-N -1 0 331.712 2.583 20 5 EFBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000074853536 527393767 /nfs/dbraw/zinc/39/37/67/527393767.db2.gz ZVZOTLMBLJHAOO-UHFFFAOYSA-N -1 0 344.352 2.786 20 5 EFBDRM O=C([O-])CCCCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000262970762 527578823 /nfs/dbraw/zinc/57/88/23/527578823.db2.gz LPRMNBHKWFGXMB-UHFFFAOYSA-N -1 0 333.344 2.841 20 5 EFBDRM O=C([O-])CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193449857 527594043 /nfs/dbraw/zinc/59/40/43/527594043.db2.gz DMQDYFNCRTYANQ-OAHLLOKOSA-N -1 0 328.324 2.931 20 5 EFBDRM O=C([O-])CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193449823 527594825 /nfs/dbraw/zinc/59/48/25/527594825.db2.gz SJYDKKQXGHRRJQ-OAHLLOKOSA-N -1 0 328.324 2.931 20 5 EFBDRM O=C([O-])CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000193455982 527598055 /nfs/dbraw/zinc/59/80/55/527598055.db2.gz QPTFVAJNWXODJB-NSHDSACASA-N -1 0 334.353 2.992 20 5 EFBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000199285920 527649311 /nfs/dbraw/zinc/64/93/11/527649311.db2.gz HISUFDISPMZFNT-CQSZACIVSA-N -1 0 348.742 2.674 20 5 EFBDRM CCCNC(=O)CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181538193 528353892 /nfs/dbraw/zinc/35/38/92/528353892.db2.gz YMYQQMDZSFYOCL-UHFFFAOYSA-N -1 0 343.767 2.589 20 5 EFBDRM CC(C)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000160239850 528572870 /nfs/dbraw/zinc/57/28/70/528572870.db2.gz 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CCC(CC)(CNC(=O)NCc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000326471711 534966167 /nfs/dbraw/zinc/96/61/67/534966167.db2.gz SXACDOAGWNUPMQ-UHFFFAOYSA-N -1 0 337.376 2.593 20 5 EFBDRM CCC(CC)(CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000236879463 534979374 /nfs/dbraw/zinc/97/93/74/534979374.db2.gz HLSKMHLVUBXMSK-UHFFFAOYSA-N -1 0 326.324 2.663 20 5 EFBDRM CCC(CC)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236881043 534980657 /nfs/dbraw/zinc/98/06/57/534980657.db2.gz FABMRIBTFAVEDL-UHFFFAOYSA-N -1 0 328.752 2.869 20 5 EFBDRM CC1(C)N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N(CC2CCCC2)C1=O ZINC000414196435 534986261 /nfs/dbraw/zinc/98/62/61/534986261.db2.gz ZRTFAGIIESHAKH-OAHLLOKOSA-N -1 0 333.388 2.700 20 5 EFBDRM CC(C)CN(CCC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262416414 535047314 /nfs/dbraw/zinc/04/73/14/535047314.db2.gz PDBHLHZICUTPRC-UHFFFAOYSA-N -1 0 347.371 2.509 20 5 EFBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000362497650 535237193 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COc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c([N+](=O)[O-])c1 ZINC000826211522 1426830020 /nfs/dbraw/zinc/83/00/20/1426830020.db2.gz IIIDNAXOGMZRJM-UHFFFAOYSA-N -1 0 345.290 2.502 20 5 EFBDRM CCCCN(CC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736455924 1426879447 /nfs/dbraw/zinc/87/94/47/1426879447.db2.gz FMIFMSZSCQBRRH-UHFFFAOYSA-N -1 0 341.375 2.950 20 5 EFBDRM CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCCC1 ZINC000824830050 1426961931 /nfs/dbraw/zinc/96/19/31/1426961931.db2.gz HFLIYSZFJKANQY-UHFFFAOYSA-N -1 0 331.380 2.942 20 5 EFBDRM Cc1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1[N+](=O)[O-] ZINC000826300949 1427129232 /nfs/dbraw/zinc/12/92/32/1427129232.db2.gz MJCQEXTXCATJKE-UHFFFAOYSA-N -1 0 332.707 2.924 20 5 EFBDRM Cc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000822271331 1427352097 /nfs/dbraw/zinc/35/20/97/1427352097.db2.gz XMOZPDDBMRXODE-UHFFFAOYSA-N -1 0 328.357 2.938 20 5 EFBDRM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737095811 1427596570 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C[C@@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820253192 1430093800 /nfs/dbraw/zinc/09/38/00/1430093800.db2.gz GRVOHUMPARYRRZ-NSHDSACASA-N -1 0 341.375 2.547 20 5 EFBDRM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826498036 1430236458 /nfs/dbraw/zinc/23/64/58/1430236458.db2.gz FBLYJBAAOOWIET-UHFFFAOYSA-N -1 0 333.254 2.632 20 5 EFBDRM CCOCCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000821373302 1430243571 /nfs/dbraw/zinc/24/35/71/1430243571.db2.gz FNPGNDMCNVRJOF-UHFFFAOYSA-N -1 0 346.391 2.784 20 5 EFBDRM CC(C)CCn1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000824249921 1441546536 /nfs/dbraw/zinc/54/65/36/1441546536.db2.gz XVNABQQNTTXKGD-UHFFFAOYSA-N -1 0 342.363 2.761 20 5 EFBDRM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000824993053 1441611064 /nfs/dbraw/zinc/61/10/64/1441611064.db2.gz OXXNXLOETZZKOX-RAIGVLPGSA-N -1 0 328.376 2.790 20 5 EFBDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000826250054 1441800190 /nfs/dbraw/zinc/80/01/90/1441800190.db2.gz IOMUWHYGALSMKL-UHFFFAOYSA-N -1 0 338.327 2.644 20 5 EFBDRM O=[N+]([O-])c1ccc(Nc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000738366695 1441822538 /nfs/dbraw/zinc/82/25/38/1441822538.db2.gz HSSDVSSMNVGFLP-UHFFFAOYSA-N -1 0 348.326 2.704 20 5 EFBDRM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000822209729 1442033487 /nfs/dbraw/zinc/03/34/87/1442033487.db2.gz UKWUELPKMYCUJL-JTQLQIEISA-N -1 0 325.332 2.651 20 5 EFBDRM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000820770169 1442057457 /nfs/dbraw/zinc/05/74/57/1442057457.db2.gz ZFSMVIMDFFPYLK-BDJLRTHQSA-N -1 0 336.355 2.972 20 5 EFBDRM Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2F)c1[N+](=O)[O-] ZINC000826300484 1442218786 /nfs/dbraw/zinc/21/87/86/1442218786.db2.gz WQMLQJFRXUHJSN-UHFFFAOYSA-N -1 0 329.291 2.801 20 5 EFBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC12CCC2 ZINC000826450383 1442277417 /nfs/dbraw/zinc/27/74/17/1442277417.db2.gz JRCQCILAQCLIOU-QMMMGPOBSA-N -1 0 348.750 2.557 20 5 EFBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000823630552 1443181123 /nfs/dbraw/zinc/18/11/23/1443181123.db2.gz ZZJGQZWVCHTMEF-VBQJREDUSA-N -1 0 348.366 2.773 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2cnn(Cc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000738361286 1443184740 /nfs/dbraw/zinc/18/47/40/1443184740.db2.gz XHYIFKAQBOZFQV-UHFFFAOYSA-N -1 0 347.338 2.687 20 5 EFBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(F)c(Cl)c1 ZINC000823630092 1443207184 /nfs/dbraw/zinc/20/71/84/1443207184.db2.gz QXTURLSOVVXRMK-UHFFFAOYSA-N -1 0 336.670 2.755 20 5 EFBDRM CC(C)[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820038783 1443235318 /nfs/dbraw/zinc/23/53/18/1443235318.db2.gz RRZMJTWUDAOUON-MNOVXSKESA-N -1 0 331.380 2.797 20 5 EFBDRM O=[N+]([O-])c1ccc(NC[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368873 1443403001 /nfs/dbraw/zinc/40/30/01/1443403001.db2.gz FDJGIEYKMYWREY-GFCCVEGCSA-N -1 0 336.355 2.917 20 5 EFBDRM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000821821739 1443457328 /nfs/dbraw/zinc/45/73/28/1443457328.db2.gz ULPUBIDWFYTYOO-UHFFFAOYSA-N -1 0 340.343 2.704 20 5 EFBDRM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749950795 1443710999 /nfs/dbraw/zinc/71/09/99/1443710999.db2.gz WTBUBMOZCAJCRF-UHFFFAOYSA-N -1 0 344.718 2.681 20 5 EFBDRM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccncc2)c(-c2nn[n-]n2)c1 ZINC000826498630 1443717151 /nfs/dbraw/zinc/71/71/51/1443717151.db2.gz DBJLAYBNDIOBAC-AWEZNQCLSA-N -1 0 337.343 2.511 20 5 EFBDRM CC(C)CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824243197 1443944321 /nfs/dbraw/zinc/94/43/21/1443944321.db2.gz FBCCNQPKGPDRIP-UHFFFAOYSA-N -1 0 338.755 2.803 20 5 EFBDRM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000826484343 1446267941 /nfs/dbraw/zinc/26/79/41/1446267941.db2.gz ZDTYLMKZPJEFHA-UHFFFAOYSA-N -1 0 329.247 2.519 20 5 EFBDRM CC1(C)CCC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824803055 1446431883 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O=[N+]([O-])c1ccc(N[C@@H]2CCc3c2cccc3O)c(-c2nn[n-]n2)c1 ZINC000823639630 1449147863 /nfs/dbraw/zinc/14/78/63/1449147863.db2.gz DYXPUPZSSRZGCU-CYBMUJFWSA-N -1 0 338.327 2.580 20 5 EFBDRM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823319076 1449372989 /nfs/dbraw/zinc/37/29/89/1449372989.db2.gz QHCJAUXZGSCCBR-UHFFFAOYSA-N -1 0 344.718 2.681 20 5 EFBDRM C[C@@H]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736252826 1449718915 /nfs/dbraw/zinc/71/89/15/1449718915.db2.gz RUJVUMZFFMDEDI-MNOVXSKESA-N -1 0 331.380 2.798 20 5 EFBDRM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820827425 1449731145 /nfs/dbraw/zinc/73/11/45/1449731145.db2.gz TYNZKOWCNKQWJZ-LLVKDONJSA-N -1 0 336.355 2.899 20 5 EFBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cc2ccccc2[nH]1 ZINC000823629589 1449798406 /nfs/dbraw/zinc/79/84/06/1449798406.db2.gz ATIGRATVCHHBAC-UHFFFAOYSA-N -1 0 349.354 2.911 20 5 EFBDRM COc1ccc(COc2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000826207125 1450148533 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339.359 2.781 20 5 EFBDRM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000820461506 1450326633 /nfs/dbraw/zinc/32/66/33/1450326633.db2.gz LCAJTEZHVVDWLU-ZETCQYMHSA-N -1 0 347.285 2.621 20 5 EFBDRM O=[N+]([O-])c1ccccc1CCNc1ccc(-c2nn[n-]n2)cc1F ZINC000823646977 1450335825 /nfs/dbraw/zinc/33/58/25/1450335825.db2.gz FEKJXZIHXFCUPG-UHFFFAOYSA-N -1 0 328.307 2.569 20 5 EFBDRM COCc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120179547 712976028 /nfs/dbraw/zinc/97/60/28/712976028.db2.gz AGGNWNDQVWMNSR-UHFFFAOYSA-N -1 0 328.371 2.604 20 5 EFBDRM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065090120 715089553 /nfs/dbraw/zinc/08/95/53/715089553.db2.gz DXOGBQSIYXWOFS-UHFFFAOYSA-N -1 0 326.264 2.659 20 5 EFBDRM C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000312932350 715309340 /nfs/dbraw/zinc/30/93/40/715309340.db2.gz YKMBKMIXADRSOO-PSASIEDQSA-N -1 0 343.177 2.904 20 5 EFBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262055178 715310088 /nfs/dbraw/zinc/31/00/88/715310088.db2.gz AMBQZRVNLBWPAW-MRXNPFEDSA-N -1 0 338.335 2.531 20 5 EFBDRM COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)cc([N+](=O)[O-])c1[O-] ZINC000255498574 715441059 /nfs/dbraw/zinc/44/10/59/715441059.db2.gz SEZDQORKIDIAQH-WCIBSUBMSA-N -1 0 330.271 2.941 20 5 EFBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122051490 715983192 /nfs/dbraw/zinc/98/31/92/715983192.db2.gz JOKWGCXYFVHAOF-UHFFFAOYSA-N -1 0 348.808 2.879 20 5 EFBDRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000135508524 716674286 /nfs/dbraw/zinc/67/42/86/716674286.db2.gz UBVXSRYXLGTJTO-UHFFFAOYSA-N -1 0 330.325 2.718 20 5 EFBDRM Cc1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cccc1[N+](=O)[O-] ZINC000013449207 718994120 /nfs/dbraw/zinc/99/41/20/718994120.db2.gz IRPJKHHHUZZVRI-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004147855 720514286 /nfs/dbraw/zinc/51/42/86/720514286.db2.gz 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340.335 2.713 20 5 EFBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000092922902 958191255 /nfs/dbraw/zinc/19/12/55/958191255.db2.gz BNLXXUGNSHGCAH-CBAPKCEASA-N -1 0 329.150 2.657 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001594329716 958208903 /nfs/dbraw/zinc/20/89/03/958208903.db2.gz MZMSTHGQMBEBHA-BDAKNGLRSA-N -1 0 326.736 2.540 20 5 EFBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C(=O)[O-])C1CCCC1)CC2 ZINC001594331259 958222961 /nfs/dbraw/zinc/22/29/61/958222961.db2.gz VCXOZALGRVBVLX-HNNXBMFYSA-N -1 0 332.356 2.683 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594331479 958226948 /nfs/dbraw/zinc/22/69/48/958226948.db2.gz JWXMHGMNYXCQML-UHFFFAOYSA-N -1 0 329.312 2.923 20 5 EFBDRM Cc1ccc([C@@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594350335 958347414 /nfs/dbraw/zinc/34/74/14/958347414.db2.gz ZKDUBMKBGSDOPI-SNVBAGLBSA-N -1 0 344.327 2.879 20 5 EFBDRM Cc1ccc(COC(=O)C2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC001594362599 958462632 /nfs/dbraw/zinc/46/26/32/958462632.db2.gz RVXWJENLIFJIMS-UHFFFAOYSA-N -1 0 339.369 2.544 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C(=O)[O-] ZINC001594378431 958610203 /nfs/dbraw/zinc/61/02/03/958610203.db2.gz ZGRWSPOVFANCNY-UHFFFAOYSA-N -1 0 328.324 2.840 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC001594381174 958622751 /nfs/dbraw/zinc/62/27/51/958622751.db2.gz NDEWALRGQINJDM-UONOGXRCSA-N -1 0 327.340 2.603 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594409936 958942031 /nfs/dbraw/zinc/94/20/31/958942031.db2.gz RMDXFPLPXCKSTO-GOSISDBHSA-N -1 0 342.351 2.676 20 5 EFBDRM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588551312 959025425 /nfs/dbraw/zinc/02/54/25/959025425.db2.gz DSMZTVXLJUSCST-ISTVAULSSA-N -1 0 338.335 2.692 20 5 EFBDRM CC(C)C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001573524463 959137044 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EFBDRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001594202006 959256304 /nfs/dbraw/zinc/25/63/04/959256304.db2.gz RGXOPMNPIHNSHA-QFWMXSHPSA-N -1 0 335.360 2.598 20 5 EFBDRM C[C@](NCc1c(F)cc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001603248611 972414065 /nfs/dbraw/zinc/41/40/65/972414065.db2.gz JPMTZJYQXMHKJD-MRXNPFEDSA-N -1 0 336.294 2.963 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001594212199 959298130 /nfs/dbraw/zinc/29/81/30/959298130.db2.gz IUJZWJGCGXYGNQ-QMTHXVAHSA-N -1 0 338.335 2.521 20 5 EFBDRM C[C@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001573592196 959404773 /nfs/dbraw/zinc/40/47/73/959404773.db2.gz VCOZDIRKWXNPCR-ABAIWWIYSA-N -1 0 334.372 2.706 20 5 EFBDRM C[C@H](C(=O)[O-])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001588604236 959465583 /nfs/dbraw/zinc/46/55/83/959465583.db2.gz STEBGGOMMCUIEI-ZETCQYMHSA-N -1 0 346.324 2.956 20 5 EFBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001573645484 959635547 /nfs/dbraw/zinc/63/55/47/959635547.db2.gz FSGOYWDNIHHCGP-OAHLLOKOSA-N -1 0 340.763 2.647 20 5 EFBDRM CC[C@H](C(=O)[O-])N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001573757382 960565612 /nfs/dbraw/zinc/56/56/12/960565612.db2.gz ANXYIKMVJQNSAK-LLVKDONJSA-N -1 0 328.752 2.502 20 5 EFBDRM O=C([O-])c1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001605808595 972525406 /nfs/dbraw/zinc/52/54/06/972525406.db2.gz PWYXYOAQYNRZMG-UHFFFAOYSA-N -1 0 339.307 2.704 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001574322838 960835118 /nfs/dbraw/zinc/83/51/18/960835118.db2.gz YOKNIFIIAVXIRQ-UHFFFAOYSA-N -1 0 328.324 2.840 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001573809104 960866845 /nfs/dbraw/zinc/86/68/45/960866845.db2.gz JXMLCOJSRHGKBW-HIFRSBDPSA-N -1 0 334.372 2.629 20 5 EFBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001573809831 960878921 /nfs/dbraw/zinc/87/89/21/960878921.db2.gz 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O=C([O-])c1ccnc(NC2CCC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC001332519055 961588255 /nfs/dbraw/zinc/58/82/55/961588255.db2.gz DEBZTAVZAGEEIG-UHFFFAOYSA-N -1 0 335.360 2.839 20 5 EFBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001573957104 961677665 /nfs/dbraw/zinc/67/76/65/961677665.db2.gz XLKRHTHLFXUBFB-PWSUYJOCSA-N -1 0 335.360 2.874 20 5 EFBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573957103 961677965 /nfs/dbraw/zinc/67/79/65/961677965.db2.gz XLKRHTHLFXUBFB-JQWIXIFHSA-N -1 0 335.360 2.874 20 5 EFBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001334358489 961801898 /nfs/dbraw/zinc/80/18/98/961801898.db2.gz MQMMPJASPNEOBA-UHFFFAOYSA-N -1 0 340.295 2.730 20 5 EFBDRM O=C([O-])c1cncc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001574521347 961854634 /nfs/dbraw/zinc/85/46/34/961854634.db2.gz ICUOEOXNAKAWSB-UHFFFAOYSA-N -1 0 349.730 2.913 20 5 EFBDRM O=C([O-])c1cccnc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001574521452 961857728 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ZINC001595554087 981434557 /nfs/dbraw/zinc/43/45/57/981434557.db2.gz ZDWQRZFJZUBJMI-ZDUSSCGKSA-N -1 0 348.277 2.987 20 5 EFBDRM CCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001595554085 981434635 /nfs/dbraw/zinc/43/46/35/981434635.db2.gz ZDWQRZFJZUBJMI-CYBMUJFWSA-N -1 0 348.277 2.987 20 5 EFBDRM CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(=O)[O-] ZINC001595554243 981435289 /nfs/dbraw/zinc/43/52/89/981435289.db2.gz WWSSYBFHGMNRNW-MRXNPFEDSA-N -1 0 338.360 2.755 20 5 EFBDRM CCC[C@H](CC)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001595587909 981544677 /nfs/dbraw/zinc/54/46/77/981544677.db2.gz ZXJCDGLJWXJQBO-PWSUYJOCSA-N -1 0 337.376 2.788 20 5 EFBDRM CCC[C@H](CC)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001595587908 981544791 /nfs/dbraw/zinc/54/47/91/981544791.db2.gz ZXJCDGLJWXJQBO-JQWIXIFHSA-N -1 0 337.376 2.788 20 5 EFBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001594780023 981782523 /nfs/dbraw/zinc/78/25/23/981782523.db2.gz CVFWFWRDNWBARI-GOSISDBHSA-N -1 0 348.399 2.938 20 5 EFBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001594819002 981962340 /nfs/dbraw/zinc/96/23/40/981962340.db2.gz LDDPMFFFBZLADS-HNNXBMFYSA-N -1 0 342.779 2.940 20 5 EFBDRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594820997 981966385 /nfs/dbraw/zinc/96/63/85/981966385.db2.gz DYARRAJVFPQIRE-CQSZACIVSA-N -1 0 328.752 2.550 20 5 EFBDRM CCCC[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC001595650747 982012650 /nfs/dbraw/zinc/01/26/50/982012650.db2.gz MSEICAKBFYSZDN-CQSZACIVSA-N -1 0 334.328 2.736 20 5 EFBDRM CCCCC[C@H](NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595681299 982161310 /nfs/dbraw/zinc/16/13/10/982161310.db2.gz NHTNGVLQXKTPBY-ZDUSSCGKSA-N -1 0 337.376 2.790 20 5 EFBDRM CC[C@@H](C)[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001594886758 982266545 /nfs/dbraw/zinc/26/65/45/982266545.db2.gz CXKRZAYTQYYGIC-OTYXRUKQSA-N -1 0 342.779 2.796 20 5 EFBDRM CC[C@@H](C)[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594908837 982402595 /nfs/dbraw/zinc/40/25/95/982402595.db2.gz LCMHMFSYAHEMON-FUXBKTLASA-N -1 0 346.742 2.545 20 5 EFBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001594913069 982428053 /nfs/dbraw/zinc/42/80/53/982428053.db2.gz XEYNSMSWILXFOD-RDDDGLTNSA-N -1 0 348.277 2.843 20 5 EFBDRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594937144 982598157 /nfs/dbraw/zinc/59/81/57/982598157.db2.gz RGQXTSIWUCNJTF-PKFCDNJMSA-N -1 0 340.351 2.843 20 5 EFBDRM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951989 982662520 /nfs/dbraw/zinc/66/25/20/982662520.db2.gz ZIHANNZYILRRHL-CYBMUJFWSA-N -1 0 330.315 2.918 20 5 EFBDRM CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)[O-] ZINC001595816783 982675707 /nfs/dbraw/zinc/67/57/07/982675707.db2.gz OFHXGVSLWSRQIX-SNVBAGLBSA-N -1 0 342.779 2.893 20 5 EFBDRM CCCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001595824371 982702911 /nfs/dbraw/zinc/70/29/11/982702911.db2.gz FBPCSMNQTXVFQU-QMMMGPOBSA-N -1 0 348.277 2.939 20 5 EFBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H](C)C(=O)[O-] ZINC001595831221 982720815 /nfs/dbraw/zinc/72/08/15/982720815.db2.gz WEKLELWRIYNOSB-LLVKDONJSA-N -1 0 338.360 2.707 20 5 EFBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001594975406 982749139 /nfs/dbraw/zinc/74/91/39/982749139.db2.gz GKFDQRISWWFZPU-MRVPVSSYSA-N -1 0 348.277 2.939 20 5 EFBDRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)C(C(=O)[O-])=C1C ZINC001594984968 982794623 /nfs/dbraw/zinc/79/46/23/982794623.db2.gz BXTJMNIDVRBHSG-KRTXAFLBSA-N -1 0 339.373 2.880 20 5 EFBDRM CC[C@H](C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594989480 982842766 /nfs/dbraw/zinc/84/27/66/982842766.db2.gz MWCPEFRIVPWAEW-QMMMGPOBSA-N -1 0 343.767 2.663 20 5 EFBDRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001574584927 983261098 /nfs/dbraw/zinc/26/10/98/983261098.db2.gz JGKYUAHFFPKDQV-PMPSAXMXSA-N -1 0 340.335 2.640 20 5 EFBDRM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001596020308 983283762 /nfs/dbraw/zinc/28/37/62/983283762.db2.gz URLTXNCCZWVWQP-JTQLQIEISA-N -1 0 334.250 2.597 20 5 EFBDRM CCCc1nc(C)c(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001596083703 983406247 /nfs/dbraw/zinc/40/62/47/983406247.db2.gz SCIBECKKLQWRMD-KRWDZBQOSA-N -1 0 347.371 2.933 20 5 EFBDRM CCCn1c(C)nnc1SCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596108555 983434527 /nfs/dbraw/zinc/43/45/27/983434527.db2.gz CETHJGUUCLBQQH-UHFFFAOYSA-N -1 0 336.373 2.895 20 5 EFBDRM CCN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001596378074 983892909 /nfs/dbraw/zinc/89/29/09/983892909.db2.gz LMHPIZHIDKCDNM-UHFFFAOYSA-N -1 0 338.751 2.706 20 5 EFBDRM CCN(Cc1cnn(C)c1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001596378208 983893400 /nfs/dbraw/zinc/89/34/00/983893400.db2.gz PDLNUDMYSPAAIL-UHFFFAOYSA-N -1 0 338.751 2.706 20 5 EFBDRM CCN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC001596385545 983912445 /nfs/dbraw/zinc/91/24/45/983912445.db2.gz HKBBUPAESQTAIN-SECBINFHSA-N -1 0 328.752 2.952 20 5 EFBDRM CCNc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501217 984253706 /nfs/dbraw/zinc/25/37/06/984253706.db2.gz JDKPQTURNBUJMV-OLZOCXBDSA-N -1 0 349.387 2.790 20 5 EFBDRM CCNc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC001596501380 984254956 /nfs/dbraw/zinc/25/49/56/984254956.db2.gz SBPRVTHRRRQJSY-UHFFFAOYSA-N -1 0 347.327 2.556 20 5 EFBDRM CCNc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501467 984255527 /nfs/dbraw/zinc/25/55/27/984255527.db2.gz VSJPJJGLXIIPSD-LBPRGKRZSA-N -1 0 337.376 2.646 20 5 EFBDRM CCOC(=O)[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001596515982 984295759 /nfs/dbraw/zinc/29/57/59/984295759.db2.gz IRKDDXYMUCOUAI-SFYZADRCSA-N -1 0 344.751 2.946 20 5 EFBDRM CCOC(=O)C[C@@H](C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001596592770 984531661 /nfs/dbraw/zinc/53/16/61/984531661.db2.gz RSOVHKYUSRFRNH-OKPNEXGHSA-N -1 0 336.344 2.694 20 5 EFBDRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001599893889 984729193 /nfs/dbraw/zinc/72/91/93/984729193.db2.gz IGVIBCIEPDVRKF-NSHDSACASA-N -1 0 343.339 2.853 20 5 EFBDRM C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001599902034 984851872 /nfs/dbraw/zinc/85/18/72/984851872.db2.gz GDAUSWTYCZHSEY-NSHDSACASA-N -1 0 343.339 2.582 20 5 EFBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001589000569 984939692 /nfs/dbraw/zinc/93/96/92/984939692.db2.gz AUSDIXDNUNHFKV-AYJWMTRPSA-N -1 0 332.356 2.854 20 5 EFBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001589000560 984939951 /nfs/dbraw/zinc/93/99/51/984939951.db2.gz ARJXQDCOJDTALI-QRWLKTIQSA-N -1 0 344.367 2.710 20 5 EFBDRM CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])o2)cc1C ZINC001596714303 984940783 /nfs/dbraw/zinc/94/07/83/984940783.db2.gz MBBALEWTHWOAFX-UHFFFAOYSA-N -1 0 348.311 2.983 20 5 EFBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001589002773 984949734 /nfs/dbraw/zinc/94/97/34/984949734.db2.gz RVLDDMRZZUXLQF-CCCPALQASA-N -1 0 332.356 2.758 20 5 EFBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC001589003223 984950574 /nfs/dbraw/zinc/95/05/74/984950574.db2.gz VVSQIVQLYCWYHL-XBCPYKQNSA-N -1 0 331.324 2.961 20 5 EFBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001589003397 984952469 /nfs/dbraw/zinc/95/24/69/984952469.db2.gz ZAXRYSBMDMUMBP-VURMDHGXSA-N -1 0 333.325 2.792 20 5 EFBDRM CCOC(=O)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001596719724 984958583 /nfs/dbraw/zinc/95/85/83/984958583.db2.gz PWCSJWRKPLVPMM-UHFFFAOYSA-N -1 0 348.311 2.604 20 5 EFBDRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC001589258218 985906968 /nfs/dbraw/zinc/90/69/68/985906968.db2.gz UGPZDHFJHRSVSJ-UHFFFAOYSA-N -1 0 334.309 2.809 20 5 EFBDRM Cc1c(Br)cc(C(=O)OCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001599970920 986004294 /nfs/dbraw/zinc/00/42/94/986004294.db2.gz PSSIDZCDBCSOJR-UHFFFAOYSA-N -1 0 346.133 2.687 20 5 EFBDRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001589337052 986227145 /nfs/dbraw/zinc/22/71/45/986227145.db2.gz OEFQPDFMDYVZFM-JTQLQIEISA-N -1 0 338.335 2.693 20 5 EFBDRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001589346305 986286282 /nfs/dbraw/zinc/28/62/82/986286282.db2.gz PDYMWBWGCLUBPX-BJKJVOPESA-N -1 0 346.383 2.800 20 5 EFBDRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001589353611 986330167 /nfs/dbraw/zinc/33/01/67/986330167.db2.gz YETMKFXHMCQNBK-JTQLQIEISA-N -1 0 338.335 2.551 20 5 EFBDRM C[C@@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001589364538 986385651 /nfs/dbraw/zinc/38/56/51/986385651.db2.gz 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ZINC001598998911 998805969 /nfs/dbraw/zinc/80/59/69/998805969.db2.gz LEOMYASCJHINAI-UHFFFAOYSA-N -1 0 335.268 2.560 20 5 EFBDRM COC(=O)c1oc(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1C ZINC001599019772 998969030 /nfs/dbraw/zinc/96/90/30/998969030.db2.gz QDJLLLNTFOWHDJ-UHFFFAOYSA-N -1 0 335.268 2.560 20 5 EFBDRM CO[C@H](C(=O)[O-])c1ccccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC001599027924 999029827 /nfs/dbraw/zinc/02/98/27/999029827.db2.gz XGAUUDHVJKWMAI-INIZCTEOSA-N -1 0 331.324 2.988 20 5 EFBDRM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)c2ncnn21 ZINC001594266822 999034838 /nfs/dbraw/zinc/03/48/38/999034838.db2.gz RIDPXAMTGHSNDP-SVRRBLITSA-N -1 0 337.723 2.656 20 5 EFBDRM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)c2ncnn21 ZINC001594266819 999034844 /nfs/dbraw/zinc/03/48/44/999034844.db2.gz RIDPXAMTGHSNDP-POYBYMJQSA-N -1 0 337.723 2.656 20 5 EFBDRM C[C@@H]1C[C@]2(C[C@H]2C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001594283669 999099144 /nfs/dbraw/zinc/09/91/44/999099144.db2.gz 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2.825 20 5 EFBDRM Cc1c(CC(=O)OCc2ccc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001600011154 1094718426 /nfs/dbraw/zinc/71/84/26/1094718426.db2.gz FNUUOSRPHONPSK-UHFFFAOYSA-N -1 0 335.337 2.949 20 5 EFBDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001600018656 1094724295 /nfs/dbraw/zinc/72/42/95/1094724295.db2.gz RJLLNPYOUFORQY-UHFFFAOYSA-N -1 0 333.271 2.889 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001600020412 1094724817 /nfs/dbraw/zinc/72/48/17/1094724817.db2.gz DEMZOMPELZUFLB-LLVKDONJSA-N -1 0 338.335 2.759 20 5 EFBDRM Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc(F)c1C(=O)[O-] ZINC001600035301 1094731858 /nfs/dbraw/zinc/73/18/58/1094731858.db2.gz LZLFIFXBVANKFQ-UHFFFAOYSA-N -1 0 348.286 2.758 20 5 EFBDRM Cc1c(NC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040574 1094736134 /nfs/dbraw/zinc/73/61/34/1094736134.db2.gz LJKLUIHOGFKRDF-USWWRNFRSA-N -1 0 333.344 2.912 20 5 EFBDRM Cc1c(NC(=O)N2OC3CCC2CC3)cc(C(=O)[O-])cc1[N+](=O)[O-] 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ZINC001600217142 1094895220 /nfs/dbraw/zinc/89/52/20/1094895220.db2.gz RUTIVMSQXDPMAL-VHSXEESVSA-N -1 0 340.763 2.739 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(CC(=O)[O-])CCC1 ZINC001600219017 1094895804 /nfs/dbraw/zinc/89/58/04/1094895804.db2.gz LJHFRSQRZJIFKG-UHFFFAOYSA-N -1 0 326.736 2.684 20 5 EFBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001600218940 1094896980 /nfs/dbraw/zinc/89/69/80/1094896980.db2.gz HSSOQUNKXLNTHA-SNVBAGLBSA-N -1 0 326.736 2.540 20 5 EFBDRM Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1C(C)C ZINC001600273417 1094934216 /nfs/dbraw/zinc/93/42/16/1094934216.db2.gz OLASTDIHHDVDFZ-UHFFFAOYSA-N -1 0 332.316 2.631 20 5 EFBDRM Cc1cc(N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)ncc1[N+](=O)[O-] ZINC001600278162 1094938503 /nfs/dbraw/zinc/93/85/03/1094938503.db2.gz LQOKPKSNTMDQKH-VTWZXRTESA-N -1 0 337.401 2.839 20 5 EFBDRM Cc1cc(NCC2(C(=O)N(C)C)CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279187 1094939756 /nfs/dbraw/zinc/93/97/56/1094939756.db2.gz 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1CC(=O)[O-] ZINC001607434922 1097629077 /nfs/dbraw/zinc/62/90/77/1097629077.db2.gz FCBLYBOTDHBXAD-DGCLKSJQSA-N -1 0 342.351 2.931 20 5 EFBDRM C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001607455520 1097632033 /nfs/dbraw/zinc/63/20/33/1097632033.db2.gz HIRBJZDALIBDCN-LOWVWBTDSA-N -1 0 335.360 2.598 20 5 EFBDRM Cc1[nH]c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001607490627 1097640113 /nfs/dbraw/zinc/64/01/13/1097640113.db2.gz SKRHHTDDNDYPNE-SECBINFHSA-N -1 0 331.328 2.729 20 5 EFBDRM Cc1[nH]c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001607490628 1097640243 /nfs/dbraw/zinc/64/02/43/1097640243.db2.gz SKRHHTDDNDYPNE-VIFPVBQESA-N -1 0 331.328 2.729 20 5 EFBDRM Cc1c(Cl)c(C(=O)[O-])nn1CCOc1cccc([N+](=O)[O-])c1 ZINC001607529030 1097652624 /nfs/dbraw/zinc/65/26/24/1097652624.db2.gz XKKWLRKTKUAGOI-UHFFFAOYSA-N -1 0 325.708 2.530 20 5 EFBDRM Cc1c(F)cccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607534276 1097654369 /nfs/dbraw/zinc/65/43/69/1097654369.db2.gz HUVLKQCRSVUIFG-KRWDZBQOSA-N -1 0 346.314 2.772 20 5 EFBDRM Cc1c(NC(=O)C2SCCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607539366 1097655643 /nfs/dbraw/zinc/65/56/43/1097655643.db2.gz ASHPOKSUKNLRHD-UHFFFAOYSA-N -1 0 342.398 2.736 20 5 EFBDRM Cc1c(NC(=O)N[C@H]2CCCC2(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542564 1097656693 /nfs/dbraw/zinc/65/66/93/1097656693.db2.gz OUJQUGPASFYHII-NSHDSACASA-N -1 0 343.286 2.911 20 5 EFBDRM Cc1c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607547801 1097658390 /nfs/dbraw/zinc/65/83/90/1097658390.db2.gz WUMDXALIOUGMBD-HTQZYQBOSA-N -1 0 332.234 2.738 20 5 EFBDRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC001607577191 1097665293 /nfs/dbraw/zinc/66/52/93/1097665293.db2.gz QGQWVJCJYDUEGQ-HNNXBMFYSA-N -1 0 346.314 2.641 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2ccc(F)c(F)c2)n1 ZINC001607588860 1097667717 /nfs/dbraw/zinc/66/77/17/1097667717.db2.gz DQDDLVWMKPIRDF-UHFFFAOYSA-N -1 0 337.282 2.911 20 5 EFBDRM Cc1nn(C)c2cc(Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])ccc12 ZINC001607587892 1097668181 /nfs/dbraw/zinc/66/81/81/1097668181.db2.gz SCYXLJFMEHMZEM-UHFFFAOYSA-N -1 0 341.327 2.935 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCOCC23CCCC3)n1 ZINC001607589625 1097668776 /nfs/dbraw/zinc/66/87/76/1097668776.db2.gz VGAROLYRHBEFLG-LBPRGKRZSA-N -1 0 335.360 2.758 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2OCCc3ccccc32)n1 ZINC001607589234 1097668815 /nfs/dbraw/zinc/66/88/15/1097668815.db2.gz HXTSSDXXORGWKK-AWEZNQCLSA-N -1 0 343.339 2.722 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCc3ccccc3C2)n1 ZINC001607589638 1097668992 /nfs/dbraw/zinc/66/89/92/1097668992.db2.gz VYQCPHPCUHTUAM-ZDUSSCGKSA-N -1 0 327.340 2.966 20 5 EFBDRM Cc1cc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC001607613679 1097676670 /nfs/dbraw/zinc/67/66/70/1097676670.db2.gz AEJKYEOQCVVPEW-LBPRGKRZSA-N -1 0 338.316 2.660 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001607620891 1097679545 /nfs/dbraw/zinc/67/95/45/1097679545.db2.gz HOIGMOQQQPSQOQ-UHFFFAOYSA-N -1 0 343.339 2.960 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001607621407 1097679584 /nfs/dbraw/zinc/67/95/84/1097679584.db2.gz XRIPPGMWIHIZAI-ZDUSSCGKSA-N -1 0 334.353 2.829 20 5 EFBDRM Cc1cc(C)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1CO ZINC001607621310 1097679592 /nfs/dbraw/zinc/67/95/92/1097679592.db2.gz YPLDCSPRGIBPJH-UHFFFAOYSA-N -1 0 344.323 2.654 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001607622054 1097680358 /nfs/dbraw/zinc/68/03/58/1097680358.db2.gz OHWXXUYFOBWWKT-UHFFFAOYSA-N -1 0 329.312 2.866 20 5 EFBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC001607661855 1097692976 /nfs/dbraw/zinc/69/29/76/1097692976.db2.gz BWBXQVZQNPIQRD-UHFFFAOYSA-N -1 0 326.324 2.615 20 5 EFBDRM Cc1cc(N(CCC(=O)[O-])CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001607669231 1097694476 /nfs/dbraw/zinc/69/44/76/1097694476.db2.gz ILBIMIYCQKXBNI-UHFFFAOYSA-N -1 0 338.360 2.526 20 5 EFBDRM Cc1cc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001607668896 1097694552 /nfs/dbraw/zinc/69/45/52/1097694552.db2.gz TYUUWNPMVWCTIB-VHSXEESVSA-N -1 0 332.278 2.993 20 5 EFBDRM Cc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ncc1C(=O)[O-] ZINC001607678161 1097696484 /nfs/dbraw/zinc/69/64/84/1097696484.db2.gz GMCUAPYXNHVQAX-UHFFFAOYSA-N -1 0 347.302 2.707 20 5 EFBDRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC001607676066 1097696527 /nfs/dbraw/zinc/69/65/27/1097696527.db2.gz BXQCBGPNYCGNNM-NWDGAFQWSA-N -1 0 329.312 2.672 20 5 EFBDRM Cc1cc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)c(F)cc1[N+](=O)[O-] ZINC001607694192 1097701507 /nfs/dbraw/zinc/70/15/07/1097701507.db2.gz PTTGLANPYHLCEB-JTQLQIEISA-N -1 0 334.307 2.884 20 5 EFBDRM Cc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693723 1097701740 /nfs/dbraw/zinc/70/17/40/1097701740.db2.gz KPJONXDQHWAWDC-GEDWGEIESA-N -1 0 340.401 2.703 20 5 EFBDRM Cc1cc(NC[C@H]2COC3(CCCC3)O2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607694938 1097702419 /nfs/dbraw/zinc/70/24/19/1097702419.db2.gz QAYIZDZKGRJXBP-NSHDSACASA-N -1 0 336.344 2.699 20 5 EFBDRM Cc1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nn1C(C)C ZINC001607696273 1097702444 /nfs/dbraw/zinc/70/24/44/1097702444.db2.gz YMZWWJSKYMQUHQ-UHFFFAOYSA-N -1 0 348.359 2.756 20 5 EFBDRM Cc1cc(NCCC(=O)N2CCC[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607695037 1097702505 /nfs/dbraw/zinc/70/25/05/1097702505.db2.gz WSRNBEVWRYEMIQ-LLVKDONJSA-N -1 0 349.387 2.662 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(C(=O)[O-])c2)cc1Cl ZINC001607708845 1097704900 /nfs/dbraw/zinc/70/49/00/1097704900.db2.gz ONCOEFXEVPVRNL-UHFFFAOYSA-N -1 0 349.730 2.580 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC001607708602 1097704933 /nfs/dbraw/zinc/70/49/33/1097704933.db2.gz GEQNZYJCUMSNLB-SECBINFHSA-N -1 0 326.736 2.636 20 5 EFBDRM Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001607708835 1097705501 /nfs/dbraw/zinc/70/55/01/1097705501.db2.gz NGFDNASYNVHTLU-SNVBAGLBSA-N -1 0 340.763 2.787 20 5 EFBDRM Cc1cc2c(cc1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])OCO2 ZINC001607711698 1097705972 /nfs/dbraw/zinc/70/59/72/1097705972.db2.gz GDORNKATLMZLTG-UHFFFAOYSA-N -1 0 330.296 2.942 20 5 EFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001607710414 1097706105 /nfs/dbraw/zinc/70/61/05/1097706105.db2.gz YLBKIFZYVQULJY-UHFFFAOYSA-N -1 0 329.308 2.887 20 5 EFBDRM Cc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC001607756553 1097722247 /nfs/dbraw/zinc/72/22/47/1097722247.db2.gz KQGKQYHFHVUXSB-CYBMUJFWSA-N -1 0 334.353 2.829 20 5 EFBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])cc1 ZINC001607756735 1097722493 /nfs/dbraw/zinc/72/24/93/1097722493.db2.gz MPYDHRCGWBUYOT-CQSZACIVSA-N -1 0 346.314 2.641 20 5 EFBDRM Cc1ccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001607779822 1097729440 /nfs/dbraw/zinc/72/94/40/1097729440.db2.gz NQSDENCPITVTLF-MRXNPFEDSA-N -1 0 346.314 2.895 20 5 EFBDRM Cc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1[N+](=O)[O-] ZINC001607781086 1097731418 /nfs/dbraw/zinc/73/14/18/1097731418.db2.gz IUDCFFJIEZVZRZ-UHFFFAOYSA-N -1 0 332.356 2.555 20 5 EFBDRM Cc1ccc(F)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001607789490 1097733749 /nfs/dbraw/zinc/73/37/49/1097733749.db2.gz ULVODFGNUAKBDS-KRWDZBQOSA-N -1 0 346.314 2.772 20 5 EFBDRM Cc1ccc(OCCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1C ZINC001607814434 1097742315 /nfs/dbraw/zinc/74/23/15/1097742315.db2.gz SHGXLPIDTGNNDC-UHFFFAOYSA-N -1 0 346.339 2.541 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC001607824839 1097743556 /nfs/dbraw/zinc/74/35/56/1097743556.db2.gz GAYQUKBAEMULPM-UHFFFAOYSA-N -1 0 349.295 2.707 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001607824913 1097743647 /nfs/dbraw/zinc/74/36/47/1097743647.db2.gz JCQNUZQHJGSAKJ-SECBINFHSA-N -1 0 349.368 2.857 20 5 EFBDRM Cc1cccc(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1[N+](=O)[O-] ZINC001607840148 1097749318 /nfs/dbraw/zinc/74/93/18/1097749318.db2.gz UQTVONLVAFPMBF-UHFFFAOYSA-N -1 0 335.703 2.902 20 5 EFBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001607842725 1097750139 /nfs/dbraw/zinc/75/01/39/1097750139.db2.gz PEEXMAUJMKQEQJ-HNNXBMFYSA-N -1 0 346.314 2.988 20 5 EFBDRM Cc1cccc(C[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC001607850070 1097753537 /nfs/dbraw/zinc/75/35/37/1097753537.db2.gz KPPHYGDDPHKSGX-AWEZNQCLSA-N -1 0 329.356 2.962 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001607864604 1097758101 /nfs/dbraw/zinc/75/81/01/1097758101.db2.gz XWSNLFUSOQYNMH-CYBMUJFWSA-N -1 0 346.314 2.641 20 5 EFBDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)c1ccccc1[N+](=O)[O-] ZINC001607865538 1097759307 /nfs/dbraw/zinc/75/93/07/1097759307.db2.gz JDNPEYSXYOSZQK-OAHLLOKOSA-N -1 0 326.308 2.559 20 5 EFBDRM Cc1cncc([N+](=O)[O-])c1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001607911978 1097775427 /nfs/dbraw/zinc/77/54/27/1097775427.db2.gz YVNBWUFPEVFUBB-SNVBAGLBSA-N -1 0 344.327 2.552 20 5 EFBDRM Cc1ncc([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001607979224 1097794621 /nfs/dbraw/zinc/79/46/21/1097794621.db2.gz RZLLNTBTTJJXRR-SSDOTTSWSA-N -1 0 335.341 2.549 20 5 EFBDRM Cc1ncc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)[O-] ZINC001607982902 1097796662 /nfs/dbraw/zinc/79/66/62/1097796662.db2.gz IQYSYCGQEPDCBZ-MRVPVSSYSA-N -1 0 347.302 2.878 20 5 EFBDRM Cc1ncccc1/C=C\C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001607988570 1097797535 /nfs/dbraw/zinc/79/75/35/1097797535.db2.gz DGGSKIKTUOPVCJ-WAYWQWQTSA-N -1 0 341.323 2.957 20 5 EFBDRM Cc1noc(C)c1C(C)(C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608024242 1097807524 /nfs/dbraw/zinc/80/75/24/1097807524.db2.gz PLXUNGIWNYDZAG-UHFFFAOYSA-N -1 0 348.311 2.781 20 5 EFBDRM Cc1noc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001608028027 1097810402 /nfs/dbraw/zinc/81/04/02/1097810402.db2.gz OMEDMKDZNFRCTL-CQSZACIVSA-N -1 0 333.344 2.833 20 5 EFBDRM Cc1oc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608047051 1097815781 /nfs/dbraw/zinc/81/57/81/1097815781.db2.gz DQBAITLPUSGHKD-UHFFFAOYSA-N -1 0 346.339 2.788 20 5 EFBDRM Cc1oc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C(=O)[O-] ZINC001608052640 1097818541 /nfs/dbraw/zinc/81/85/41/1097818541.db2.gz VLYCMENQKOWWBE-UHFFFAOYSA-N -1 0 325.298 2.921 20 5 EFBDRM Cc1sc(C(=O)NCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001608059808 1097820443 /nfs/dbraw/zinc/82/04/43/1097820443.db2.gz USTGOOCSQYMOEO-UHFFFAOYSA-N -1 0 334.353 2.522 20 5 EFBDRM Cc1sc(C(=O)[O-])cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001608062502 1097821718 /nfs/dbraw/zinc/82/17/18/1097821718.db2.gz JIGBWIFOYPBZER-UHFFFAOYSA-N -1 0 335.341 2.714 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Cc1c(CN=c2nc(C3CCOCC3)[n-]s2)cccc1[N+](=O)[O-] ZINC000596207657 479199316 /nfs/dbraw/zinc/19/93/16/479199316.db2.gz MYZWXUXQTMDHCY-UHFFFAOYSA-N -1 0 334.401 2.683 20 5 EFBDRM O=C([O-])c1cc(C(=O)N2CCCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000610843732 479203611 /nfs/dbraw/zinc/20/36/11/479203611.db2.gz QVXYJHNPYOMECT-UHFFFAOYSA-N -1 0 346.364 2.943 20 5 EFBDRM CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000569976278 479220252 /nfs/dbraw/zinc/22/02/52/479220252.db2.gz GMLBXJHZAPVGRZ-CYBMUJFWSA-N -1 0 338.360 2.853 20 5 EFBDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000569981735 479220823 /nfs/dbraw/zinc/22/08/23/479220823.db2.gz PQPSMJKPBBSRSN-LBPRGKRZSA-N -1 0 345.355 2.769 20 5 EFBDRM O=C(NCc1c(F)c(F)cc(F)c1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000610883469 479222667 /nfs/dbraw/zinc/22/26/67/479222667.db2.gz KMEAOSDMMWFSPL-UHFFFAOYSA-N -1 0 344.220 2.787 20 5 EFBDRM CCC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000574159595 479231659 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343.339 2.839 20 5 EFBDRM COC(=O)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000611461606 479386403 /nfs/dbraw/zinc/38/64/03/479386403.db2.gz QTMISIIMSANYNU-UHFFFAOYSA-N -1 0 336.325 2.709 20 5 EFBDRM COc1ccc([C@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000574992727 479386337 /nfs/dbraw/zinc/38/63/37/479386337.db2.gz VTYXTCQPYLZRJZ-LBPRGKRZSA-N -1 0 343.339 2.691 20 5 EFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000611555487 479413063 /nfs/dbraw/zinc/41/30/63/479413063.db2.gz MVJPGXOQCOBQJE-INIZCTEOSA-N -1 0 328.324 2.983 20 5 EFBDRM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556956 479414863 /nfs/dbraw/zinc/41/48/63/479414863.db2.gz JQFILQYUACXETF-OAHLLOKOSA-N -1 0 344.323 2.563 20 5 EFBDRM O=C(N[C@@H]1COc2c1cccc2Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558806 479415478 /nfs/dbraw/zinc/41/54/78/479415478.db2.gz SHGJXEQCQLDQBM-CYBMUJFWSA-N -1 0 334.715 2.817 20 5 EFBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCCCC2CCCCC2)ccc1[O-] ZINC000603631533 479415491 /nfs/dbraw/zinc/41/54/91/479415491.db2.gz KVMIHHGXKZBJCB-UHFFFAOYSA-N -1 0 342.417 2.939 20 5 EFBDRM COCCC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000575184201 479417027 /nfs/dbraw/zinc/41/70/27/479417027.db2.gz HIVFZYTZXYHQFW-UHFFFAOYSA-N -1 0 328.752 2.500 20 5 EFBDRM CC(C)(C)C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC000593695932 479426594 /nfs/dbraw/zinc/42/65/94/479426594.db2.gz DFLQEEFWIIWOTN-LLVKDONJSA-N -1 0 333.344 2.695 20 5 EFBDRM CC(C)(C)C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000593697223 479427747 /nfs/dbraw/zinc/42/77/47/479427747.db2.gz RQGJIWSFPZYFNR-AWEZNQCLSA-N -1 0 347.371 2.624 20 5 EFBDRM CC(C)C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CC(=O)[O-] ZINC000593697279 479428086 /nfs/dbraw/zinc/42/80/86/479428086.db2.gz JAUICBJIOHSNHJ-NSHDSACASA-N -1 0 347.371 2.943 20 5 EFBDRM CNc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000593699318 479428987 /nfs/dbraw/zinc/42/89/87/479428987.db2.gz PDPXPOHEMRSUIK-NSHDSACASA-N -1 0 337.376 2.503 20 5 EFBDRM COCCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593729234 479436702 /nfs/dbraw/zinc/43/67/02/479436702.db2.gz RWFRBPSEXHZHOC-UHFFFAOYSA-N -1 0 344.367 2.942 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593756509 479448552 /nfs/dbraw/zinc/44/85/52/479448552.db2.gz FJCHVVAKJAABKL-QWHCGFSZSA-N -1 0 327.340 2.690 20 5 EFBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C1CC1 ZINC000593756568 479449778 /nfs/dbraw/zinc/44/97/78/479449778.db2.gz GEWGBWMIUHSRHR-QWHCGFSZSA-N -1 0 327.340 2.690 20 5 EFBDRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599860854 479458595 /nfs/dbraw/zinc/45/85/95/479458595.db2.gz XANMRQWZCIOKQX-GLQYFDAESA-N -1 0 349.387 2.798 20 5 EFBDRM CC(C)O[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000593786131 479459624 /nfs/dbraw/zinc/45/96/24/479459624.db2.gz JARRFMXHWHSTLF-NSHDSACASA-N -1 0 342.779 2.983 20 5 EFBDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000611741170 479463598 /nfs/dbraw/zinc/46/35/98/479463598.db2.gz PQLUHXDGBSCMSU-UHFFFAOYSA-N -1 0 344.295 2.682 20 5 EFBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593921018 479509556 /nfs/dbraw/zinc/50/95/56/479509556.db2.gz GIZBUPWPCHLHRX-NSHDSACASA-N -1 0 332.312 2.810 20 5 EFBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593921017 479509840 /nfs/dbraw/zinc/50/98/40/479509840.db2.gz GIZBUPWPCHLHRX-LLVKDONJSA-N -1 0 332.312 2.810 20 5 EFBDRM COc1cccc2c1OCC[C@@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593947051 479516688 /nfs/dbraw/zinc/51/66/88/479516688.db2.gz DQCBFHRZJQFZPL-NSHDSACASA-N -1 0 345.311 2.632 20 5 EFBDRM Cc1cc(N2CCOC[C@@H](C3CCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575991769 479517790 /nfs/dbraw/zinc/51/77/90/479517790.db2.gz CLJRUNPONHRENW-ZDUSSCGKSA-N -1 0 334.372 2.854 20 5 EFBDRM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593955317 479519521 /nfs/dbraw/zinc/51/95/21/479519521.db2.gz QJSOXHPWLAUORH-TVYUQYBPSA-N -1 0 335.360 2.852 20 5 EFBDRM Cc1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CC2)o1 ZINC000604497036 479528130 /nfs/dbraw/zinc/52/81/30/479528130.db2.gz PGYDDMQUCOABRV-UHFFFAOYSA-N -1 0 344.323 2.999 20 5 EFBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000615166913 479618210 /nfs/dbraw/zinc/61/82/10/479618210.db2.gz HLIIEISDPFHOCZ-UHFFFAOYSA-N -1 0 343.339 2.641 20 5 EFBDRM CC(C)(CO)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccnc1 ZINC000590374819 479635839 /nfs/dbraw/zinc/63/58/39/479635839.db2.gz STGALWWLTUXXSE-INIZCTEOSA-N -1 0 331.372 2.545 20 5 EFBDRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000579191326 479670237 /nfs/dbraw/zinc/67/02/37/479670237.db2.gz PUFREQVAGOIPIE-HZMBPMFUSA-N -1 0 335.360 2.693 20 5 EFBDRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000579191329 479670821 /nfs/dbraw/zinc/67/08/21/479670821.db2.gz 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RVJGGYGLHKFGIU-UHFFFAOYSA-N -1 0 348.380 2.787 20 5 EFBDRM CCCN(Cc1ccccc1F)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618347423 480628323 /nfs/dbraw/zinc/62/83/23/480628323.db2.gz BDYFYDHAQUWHEB-UHFFFAOYSA-N -1 0 333.319 2.887 20 5 EFBDRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164263728 533961186 /nfs/dbraw/zinc/96/11/86/533961186.db2.gz URNCJJHAIOMVFA-SECBINFHSA-N -1 0 334.303 2.939 20 5 EFBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000164225205 534039089 /nfs/dbraw/zinc/03/90/89/534039089.db2.gz ADBRQZMVLOLTFA-LBPRGKRZSA-N -1 0 329.356 2.555 20 5 EFBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000164792956 534039119 /nfs/dbraw/zinc/03/91/19/534039119.db2.gz ZDYLEHBGOPTDRQ-JTQLQIEISA-N -1 0 334.303 2.637 20 5 EFBDRM CC(C)C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000094703265 519352953 /nfs/dbraw/zinc/35/29/53/519352953.db2.gz ZHSJWDIHMZVBRI-MRVPVSSYSA-N -1 0 346.181 2.911 20 5 EFBDRM 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SYFROEFOEYTKEG-HNNXBMFYSA-N -1 0 346.314 2.906 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594381522 958629133 /nfs/dbraw/zinc/62/91/33/958629133.db2.gz ZQLIDDBNBORADV-CQSZACIVSA-N -1 0 347.302 2.990 20 5 EFBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573425537 958788538 /nfs/dbraw/zinc/78/85/38/958788538.db2.gz RWPVNGGNLLZSEX-UONOGXRCSA-N -1 0 334.372 2.658 20 5 EFBDRM O=C([O-])CC1(COc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000133698010 958820387 /nfs/dbraw/zinc/82/03/87/958820387.db2.gz BTQMVXHZHUVHCN-UHFFFAOYSA-N -1 0 330.134 2.991 20 5 EFBDRM C[C@H](C(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001588545468 958996580 /nfs/dbraw/zinc/99/65/80/958996580.db2.gz VHSMQWCOROPXLV-JTQLQIEISA-N -1 0 340.351 2.797 20 5 EFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594192984 959173526 /nfs/dbraw/zinc/17/35/26/959173526.db2.gz KABMTEXDILGMFQ-UHFFFAOYSA-N -1 0 346.364 2.945 20 5 EFBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001594193051 959173788 /nfs/dbraw/zinc/17/37/88/959173788.db2.gz LWKGYONPGNRGOV-SNVBAGLBSA-N -1 0 338.385 2.786 20 5 EFBDRM CSc1cccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001594193203 959176109 /nfs/dbraw/zinc/17/61/09/959176109.db2.gz NYSQXYLEZBADDH-SNVBAGLBSA-N -1 0 340.401 2.793 20 5 EFBDRM Cc1c(Br)c(NCC(C)(C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000165682256 959290678 /nfs/dbraw/zinc/29/06/78/959290678.db2.gz SAFYJGRUGCPTSG-UHFFFAOYSA-N -1 0 332.154 2.583 20 5 EFBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001594216043 959333420 /nfs/dbraw/zinc/33/34/20/959333420.db2.gz YWHHJNZRFQGIFH-PRHODGIISA-N -1 0 326.736 2.716 20 5 EFBDRM C[C@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001594243670 959551206 /nfs/dbraw/zinc/55/12/06/959551206.db2.gz XHPOBUITHDPHIJ-NSHDSACASA-N -1 0 345.307 2.976 20 5 EFBDRM CC(C)(C(=O)[O-])n1ccc(NCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001588625271 959569688 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342.351 2.637 20 5 EFBDRM Cc1cc(OCC(=O)OCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001574343401 960952392 /nfs/dbraw/zinc/95/23/92/960952392.db2.gz UKDALWOWZGNPGR-UHFFFAOYSA-N -1 0 345.307 2.724 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001574344728 960963933 /nfs/dbraw/zinc/96/39/33/960963933.db2.gz WPTACYJCOVNDOC-UHFFFAOYSA-N -1 0 341.323 2.589 20 5 EFBDRM CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001324945983 961046167 /nfs/dbraw/zinc/04/61/67/961046167.db2.gz QILNDQFLVZALMN-DGCLKSJQSA-N -1 0 338.385 2.649 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001574388697 961150546 /nfs/dbraw/zinc/15/05/46/961150546.db2.gz KOKAQDIIBSFSRC-CGQZWFTASA-N -1 0 340.335 2.859 20 5 EFBDRM O=C([O-])C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC001327458431 961164224 /nfs/dbraw/zinc/16/42/24/961164224.db2.gz WHTSMDKSUQFYIX-UHFFFAOYSA-N -1 0 344.367 2.515 20 5 EFBDRM 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COC(=O)c1cccc(OCc2ccsc2C(=O)[O-])c1[N+](=O)[O-] ZINC001598999077 998807265 /nfs/dbraw/zinc/80/72/65/998807265.db2.gz PUAQTFPNTZIFIF-UHFFFAOYSA-N -1 0 337.309 2.720 20 5 EFBDRM COC(=O)c1ccccc1CCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599003243 998836608 /nfs/dbraw/zinc/83/66/08/998836608.db2.gz QMTAGABWTCAASK-UHFFFAOYSA-N -1 0 345.307 2.701 20 5 EFBDRM C[C@@H]1C[C@@]2(C[C@@H]2C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001594283432 999097340 /nfs/dbraw/zinc/09/73/40/999097340.db2.gz HERNINXWIKLLNA-OMXAPOSASA-N -1 0 349.339 2.541 20 5 EFBDRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594284208 999102008 /nfs/dbraw/zinc/10/20/08/999102008.db2.gz KIMADCHREQHPBJ-FUOAXUMASA-N -1 0 346.383 2.693 20 5 EFBDRM C[C@@H]1CC/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC001594290155 999116972 /nfs/dbraw/zinc/11/69/72/999116972.db2.gz DLRRZTFOKDRIAD-LHRHLVEHSA-N -1 0 332.356 2.757 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1sccc1-c1nn[nH]n1 ZINC001580904160 1091040420 /nfs/dbraw/zinc/04/04/20/1091040420.db2.gz ISUIGCCJRXOOOC-UHFFFAOYSA-N -1 0 344.356 2.706 20 5 EFBDRM Cc1cc(N[C@@H](C)c2cccnc2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001581034796 1091062479 /nfs/dbraw/zinc/06/24/79/1091062479.db2.gz QXQYMGXHDAZMFQ-JTQLQIEISA-N -1 0 325.332 2.651 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(Oc2cc(-c3nn[nH]n3)nc(C3CC3)n2)c1 ZINC001581214055 1091094897 /nfs/dbraw/zinc/09/48/97/1091094897.db2.gz YCSJMOBDZYNWSK-UHFFFAOYSA-N -1 0 339.315 2.543 20 5 EFBDRM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)o2)cc1[N+](=O)[O-] ZINC001581213758 1091094977 /nfs/dbraw/zinc/09/49/77/1091094977.db2.gz JMRCNPVPDFXOKP-VIFPVBQESA-N -1 0 343.299 2.594 20 5 EFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cscc1-c1nn[nH]n1 ZINC001581213939 1091094994 /nfs/dbraw/zinc/09/49/94/1091094994.db2.gz RTOMNYGMYAUOMI-UHFFFAOYSA-N -1 0 344.356 2.706 20 5 EFBDRM CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001589573968 1093110274 /nfs/dbraw/zinc/11/02/74/1093110274.db2.gz PVBPNOFHUKFMCR-LSDHHAIUSA-N -1 0 346.391 2.781 20 5 EFBDRM CC[C@H](C)CON=c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409662 1093409700 /nfs/dbraw/zinc/40/97/00/1093409700.db2.gz IVPWRLZVPROMET-VIFPVBQESA-N -1 0 343.347 2.713 20 5 EFBDRM Cc1ccc([C@@H](C)Nc2cc(C)c(-c3nn[nH]n3)cn2)cc1[N+](=O)[O-] ZINC001592035281 1093962444 /nfs/dbraw/zinc/96/24/44/1093962444.db2.gz ULWSBUJFCCWEAM-LLVKDONJSA-N -1 0 339.359 2.960 20 5 EFBDRM Cc1cc(NCCc2ccsc2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592051078 1093967497 /nfs/dbraw/zinc/96/74/97/1093967497.db2.gz HRIYPKVBHNDSRN-UHFFFAOYSA-N -1 0 330.373 2.799 20 5 EFBDRM Cc1cc(S[C@H]2COC(C)(C)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592066840 1093972059 /nfs/dbraw/zinc/97/20/59/1093972059.db2.gz FBGBRRNLYBVMJD-SECBINFHSA-N -1 0 335.389 2.743 20 5 EFBDRM C[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592698762 1094181812 /nfs/dbraw/zinc/18/18/12/1094181812.db2.gz MZDJNWBJNGHQMX-LLVKDONJSA-N -1 0 328.324 2.827 20 5 EFBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592848056 1094195964 /nfs/dbraw/zinc/19/59/64/1094195964.db2.gz LLPHFWVPMYKPCP-QGZVFWFLSA-N -1 0 346.314 2.550 20 5 EFBDRM Cc1cc(-n2cccn2)ccc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000785175032 1094307282 /nfs/dbraw/zinc/30/72/82/1094307282.db2.gz GXDZAFOGFXUTQF-UHFFFAOYSA-N -1 0 326.312 2.774 20 5 EFBDRM Cc1cccc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594393641 1094426682 /nfs/dbraw/zinc/42/66/82/1094426682.db2.gz NSXYZGDDHXUAPP-OAHLLOKOSA-N -1 0 328.324 2.767 20 5 EFBDRM Cc1c(CC(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001600008915 1094716989 /nfs/dbraw/zinc/71/69/89/1094716989.db2.gz FRLUZRXRRQKDEK-QWRGUYRKSA-N -1 0 334.372 2.546 20 5 EFBDRM Cc1c(CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001600009770 1094718640 /nfs/dbraw/zinc/71/86/40/1094718640.db2.gz RFTZMBUZRPMYQD-KRWDZBQOSA-N -1 0 342.351 2.730 20 5 EFBDRM Cc1c(CC(=O)Nc2ccc(F)cc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600011054 1094719169 /nfs/dbraw/zinc/71/91/69/1094719169.db2.gz KNWVPPLYEJYVFL-UHFFFAOYSA-N -1 0 332.287 2.922 20 5 EFBDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001600018953 1094723394 /nfs/dbraw/zinc/72/33/94/1094723394.db2.gz VOSILTMCESJLCM-UHFFFAOYSA-N -1 0 349.270 2.725 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C(=O)[O-] ZINC001600022049 1094726480 /nfs/dbraw/zinc/72/64/80/1094726480.db2.gz UCPAAMYURXBHBA-UHFFFAOYSA-N -1 0 332.287 2.671 20 5 EFBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001600022310 1094726946 /nfs/dbraw/zinc/72/69/46/1094726946.db2.gz XRVIDUOPNKPWFM-UHFFFAOYSA-N -1 0 344.298 2.943 20 5 EFBDRM Cc1c(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031444 1094729392 /nfs/dbraw/zinc/72/93/92/1094729392.db2.gz WPNAFJUIRHDZTN-PRHODGIISA-N -1 0 334.328 2.545 20 5 EFBDRM Cc1c(NC(=O)[C@@H]2CCOC3(CCC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600032037 1094730235 /nfs/dbraw/zinc/73/02/35/1094730235.db2.gz GTPNNJHRIPHLRW-LLVKDONJSA-N -1 0 348.355 2.889 20 5 EFBDRM Cc1c(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033977 1094731452 /nfs/dbraw/zinc/73/14/52/1094731452.db2.gz QZYJNUSMLIMGAL-DOMZBBRYSA-N -1 0 348.355 2.888 20 5 EFBDRM Cc1c(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC001600036952 1094732817 /nfs/dbraw/zinc/73/28/17/1094732817.db2.gz DVUNLBHBPIFJMQ-CJNGLKHVSA-N -1 0 333.344 2.764 20 5 EFBDRM Cc1c(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cccc1[N+](=O)[O-] ZINC001600039546 1094734421 /nfs/dbraw/zinc/73/44/21/1094734421.db2.gz HNXULBQRMQLUJF-UHFFFAOYSA-N -1 0 348.315 2.646 20 5 EFBDRM Cc1c(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600040627 1094736030 /nfs/dbraw/zinc/73/60/30/1094736030.db2.gz PYNZTJMJDQNSEL-ZBEGNZNMSA-N -1 0 333.344 2.622 20 5 EFBDRM Cc1c(NC(=O)c2cccn3nccc23)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600045793 1094739091 /nfs/dbraw/zinc/73/90/91/1094739091.db2.gz CFKQUTOKODFOES-UHFFFAOYSA-N -1 0 340.295 2.501 20 5 EFBDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)n1C ZINC001600045632 1094739180 /nfs/dbraw/zinc/73/91/80/1094739180.db2.gz MBAXKUFPTJZDKC-UHFFFAOYSA-N -1 0 331.328 2.809 20 5 EFBDRM Cc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1CC(C)C ZINC001600046520 1094740674 /nfs/dbraw/zinc/74/06/74/1094740674.db2.gz ZBPJTNSAJXDSBT-UHFFFAOYSA-N -1 0 346.343 2.706 20 5 EFBDRM Cc1c(NC(=O)c2cccc3c2OCO3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046816 1094740842 /nfs/dbraw/zinc/74/08/42/1094740842.db2.gz RZJJPCGAAQOBMU-UHFFFAOYSA-N -1 0 344.279 2.582 20 5 EFBDRM Cc1c(NCc2nc(-c3ccoc3)no2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600050458 1094744028 /nfs/dbraw/zinc/74/40/28/1094744028.db2.gz IEPDHQAOXXPSGC-UHFFFAOYSA-N -1 0 344.283 2.857 20 5 EFBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001600059825 1094745496 /nfs/dbraw/zinc/74/54/96/1094745496.db2.gz ZOZACXQZXULDMA-CLTKARDFSA-N -1 0 334.259 2.985 20 5 EFBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001600059826 1094745932 /nfs/dbraw/zinc/74/59/32/1094745932.db2.gz ZOZACXQZXULDMA-XVNBXDOJSA-N -1 0 334.259 2.985 20 5 EFBDRM Cc1cc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc([N+](=O)[O-])c1 ZINC001600094438 1094766273 /nfs/dbraw/zinc/76/62/73/1094766273.db2.gz IIKRNCGMGJEIHN-UHFFFAOYSA-N -1 0 349.730 2.580 20 5 EFBDRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001600092210 1094766504 /nfs/dbraw/zinc/76/65/04/1094766504.db2.gz OFGBHSIVQTZPEJ-CQSZACIVSA-N -1 0 346.314 2.641 20 5 EFBDRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001600092209 1094766577 /nfs/dbraw/zinc/76/65/77/1094766577.db2.gz OFGBHSIVQTZPEJ-AWEZNQCLSA-N -1 0 346.314 2.641 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCc2ccccc2C)n1 ZINC001600104413 1094773043 /nfs/dbraw/zinc/77/30/43/1094773043.db2.gz RXRSUUISDUTFPG-UHFFFAOYSA-N -1 0 329.356 2.984 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C2CC2)C2CCOCC2)n1 ZINC001600105689 1094773833 /nfs/dbraw/zinc/77/38/33/1094773833.db2.gz ZUQBMTXCCZWWTK-CYBMUJFWSA-N -1 0 335.360 2.614 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOc3ccccc3[C@@H]2C)n1 ZINC001600105004 1094773906 /nfs/dbraw/zinc/77/39/06/1094773906.db2.gz LELVCPRBKUGYDD-NSHDSACASA-N -1 0 343.339 2.956 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nc3c(cccc3C)[nH]2)n1 ZINC001600105719 1094774421 /nfs/dbraw/zinc/77/44/21/1094774421.db2.gz JIPKRBWABJYITQ-UHFFFAOYSA-N -1 0 341.327 2.793 20 5 EFBDRM Cc1cc(C(=O)[O-])nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001600128894 1094789773 /nfs/dbraw/zinc/78/97/73/1094789773.db2.gz WIOLGORJKVLLAJ-UHFFFAOYSA-N -1 0 336.735 2.699 20 5 EFBDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c(N)c([N+](=O)[O-])c1 ZINC001600135196 1094793379 /nfs/dbraw/zinc/79/33/79/1094793379.db2.gz WCBCCNQIKQUDGM-GFCCVEGCSA-N -1 0 336.325 2.530 20 5 EFBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001600154614 1094816815 /nfs/dbraw/zinc/81/68/15/1094816815.db2.gz BXFNWOCBDMWXAC-UHFFFAOYSA-N -1 0 338.707 2.539 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001600165240 1094828453 /nfs/dbraw/zinc/82/84/53/1094828453.db2.gz ZJSSGJBETPAENK-UHFFFAOYSA-N -1 0 342.351 2.769 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001600164863 1094828609 /nfs/dbraw/zinc/82/86/09/1094828609.db2.gz PHOCOALIVNEKNL-UHFFFAOYSA-N -1 0 335.341 2.927 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001600165021 1094828979 /nfs/dbraw/zinc/82/89/79/1094828979.db2.gz VIIXZFBMGGGJNK-UHFFFAOYSA-N -1 0 342.351 2.882 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001600164258 1094829735 /nfs/dbraw/zinc/82/97/35/1094829735.db2.gz JLEAVUGNGPAQAJ-CQSZACIVSA-N -1 0 343.339 2.552 20 5 EFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600216562 1094891618 /nfs/dbraw/zinc/89/16/18/1094891618.db2.gz 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Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001600255606 1094916827 /nfs/dbraw/zinc/91/68/27/1094916827.db2.gz QTYNGHXBKHGCKK-UHFFFAOYSA-N -1 0 343.339 2.676 20 5 EFBDRM Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001600256436 1094917924 /nfs/dbraw/zinc/91/79/24/1094917924.db2.gz NUYFHWJFIUBQRS-UHFFFAOYSA-N -1 0 335.341 2.714 20 5 EFBDRM Cc1cc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc([N+](=O)[O-])c1 ZINC001600259959 1094921470 /nfs/dbraw/zinc/92/14/70/1094921470.db2.gz DWEVQJBKHVENKF-ZDUSSCGKSA-N -1 0 333.344 2.622 20 5 EFBDRM Cc1cc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001600264285 1094924522 /nfs/dbraw/zinc/92/45/22/1094924522.db2.gz GGDBKGUKQZAIDH-CJNGLKHVSA-N -1 0 333.344 2.764 20 5 EFBDRM Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C(=O)[O-])[nH]1 ZINC001600265038 1094926764 /nfs/dbraw/zinc/92/67/64/1094926764.db2.gz UCQJIPIBCMVCBD-UHFFFAOYSA-N -1 0 344.327 2.520 20 5 EFBDRM Cc1cc(N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001600279980 1094940649 /nfs/dbraw/zinc/94/06/49/1094940649.db2.gz RWPYHOSIOZJWMU-GXFFZTMASA-N -1 0 326.324 2.724 20 5 EFBDRM Cc1cc(N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c([N+](=O)[O-])s1 ZINC001600278737 1094941038 /nfs/dbraw/zinc/94/10/38/1094941038.db2.gz XZNAWQRJHDQXOB-XIRUVYRFSA-N -1 0 326.374 2.789 20 5 EFBDRM Cc1cc(NC[C@]23C[C@H]2COC32CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600280494 1094941561 /nfs/dbraw/zinc/94/15/61/1094941561.db2.gz MYPSIIRLQUOPGC-MEDUHNTESA-N -1 0 332.356 2.973 20 5 EFBDRM Cc1cc(NCc2ccn3ccnc3c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600282426 1094941571 /nfs/dbraw/zinc/94/15/71/1094941571.db2.gz LYBFDOHAOUGGNN-UHFFFAOYSA-N -1 0 326.312 2.861 20 5 EFBDRM Cc1cc(NCCOC2CCSCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281196 1094942213 /nfs/dbraw/zinc/94/22/13/1094942213.db2.gz UUWICLGSUUEGOT-UHFFFAOYSA-N -1 0 340.401 2.926 20 5 EFBDRM Cc1cc(NCc2nn(C)cc2C(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600283026 1094942225 /nfs/dbraw/zinc/94/22/25/1094942225.db2.gz 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EFBDRM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600367805 1095007221 /nfs/dbraw/zinc/00/72/21/1095007221.db2.gz GBGTYXRLOPETEA-PXAZEXFGSA-N -1 0 349.387 2.861 20 5 EFBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001600369994 1095008636 /nfs/dbraw/zinc/00/86/36/1095008636.db2.gz BKTRZFXPIRBKLY-OAHLLOKOSA-N -1 0 346.314 2.988 20 5 EFBDRM Cc1ccc([C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C(=O)[O-])cc1 ZINC001600378766 1095016420 /nfs/dbraw/zinc/01/64/20/1095016420.db2.gz PVIMDLCSILWZDX-CYBMUJFWSA-N -1 0 348.330 2.815 20 5 EFBDRM Cc1ccc(CN(CCO)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600411414 1095043979 /nfs/dbraw/zinc/04/39/79/1095043979.db2.gz JYMIQXCZEPJJGI-UHFFFAOYSA-N -1 0 344.367 2.596 20 5 EFBDRM Cc1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC001600417985 1095051772 /nfs/dbraw/zinc/05/17/72/1095051772.db2.gz RLLSZRJJKYFRFU-FNORWQNLSA-N -1 0 330.296 2.524 20 5 EFBDRM Cc1ccc(Cn2cc([N+](=O)[O-])nc2Br)cc1C(=O)[O-] 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O=C([O-])c1cnc(NCc2ccc(-c3c[nH]cn3)cc2)c([N+](=O)[O-])c1 ZINC001602533231 1096285668 /nfs/dbraw/zinc/28/56/68/1096285668.db2.gz BTPDAEZOSJGCOJ-UHFFFAOYSA-N -1 0 339.311 2.690 20 5 EFBDRM O=C([O-])c1coc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001602549193 1096292929 /nfs/dbraw/zinc/29/29/29/1096292929.db2.gz KFCGBAZYHVPAAP-CQSZACIVSA-N -1 0 348.336 2.774 20 5 EFBDRM O=C([O-])c1coc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001602549192 1096293180 /nfs/dbraw/zinc/29/31/80/1096293180.db2.gz KFCGBAZYHVPAAP-AWEZNQCLSA-N -1 0 348.336 2.774 20 5 EFBDRM O=C([O-])c1coc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001602549687 1096294243 /nfs/dbraw/zinc/29/42/43/1096294243.db2.gz UEXMVLSMOQENJY-UHFFFAOYSA-N -1 0 342.666 2.609 20 5 EFBDRM O=C([O-])c1coc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001602555867 1096296642 /nfs/dbraw/zinc/29/66/42/1096296642.db2.gz AUJZSAVNUXMDNG-UHFFFAOYSA-N -1 0 342.263 2.791 20 5 EFBDRM O=C([O-])c1csc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c1 ZINC001602562563 1096300776 /nfs/dbraw/zinc/30/07/76/1096300776.db2.gz YRVFDVMLBOWFRZ-UHFFFAOYSA-N -1 0 348.315 2.800 20 5 EFBDRM O=C([O-])c1occc1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001602589410 1096310269 /nfs/dbraw/zinc/31/02/69/1096310269.db2.gz SGSHPPXQHQWTMG-UHFFFAOYSA-N -1 0 331.206 2.912 20 5 EFBDRM O=C([O-])[C@H]1CCC[C@H](OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC001602608716 1096321904 /nfs/dbraw/zinc/32/19/04/1096321904.db2.gz GXQSPTWNEMCSDV-ONGXEEELSA-N -1 0 332.312 2.876 20 5 EFBDRM O=C([O-])C1(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001602613535 1096325313 /nfs/dbraw/zinc/32/53/13/1096325313.db2.gz JBGRKDFLUUKPFQ-UHFFFAOYSA-N -1 0 345.254 2.608 20 5 EFBDRM O=C([O-])c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)ccn1 ZINC001602615397 1096326021 /nfs/dbraw/zinc/32/60/21/1096326021.db2.gz CIXNOBNGIOPVJU-UHFFFAOYSA-N -1 0 336.687 2.698 20 5 EFBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001602615685 1096326481 /nfs/dbraw/zinc/32/64/81/1096326481.db2.gz MMBZUUSKWVPYAQ-BDAKNGLRSA-N -1 0 327.720 2.792 20 5 EFBDRM O=C([O-])c1occc1COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001602618702 1096329204 /nfs/dbraw/zinc/32/92/04/1096329204.db2.gz HTWINMHJXXXNKH-UHFFFAOYSA-N -1 0 346.295 2.817 20 5 EFBDRM O=C([O-])c1cnc(Oc2ccc3c(c2)CCCC(=O)N3)c([N+](=O)[O-])c1 ZINC001602644826 1096337314 /nfs/dbraw/zinc/33/73/14/1096337314.db2.gz MQMKZALALCAYQX-UHFFFAOYSA-N -1 0 343.295 2.755 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC001602644453 1096337767 /nfs/dbraw/zinc/33/77/67/1096337767.db2.gz ZWTZJHJANAUSKH-LBPRGKRZSA-N -1 0 349.339 2.876 20 5 EFBDRM C/C(=C\C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001602951203 1096405037 /nfs/dbraw/zinc/40/50/37/1096405037.db2.gz IBZTUHIRGNJHQJ-UGTRGGQESA-N -1 0 344.367 2.567 20 5 EFBDRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001602952329 1096406348 /nfs/dbraw/zinc/40/63/48/1096406348.db2.gz CBKXBXNNGJCLCN-ZRDIBKRKSA-N -1 0 332.356 2.902 20 5 EFBDRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC001603087869 1096438297 /nfs/dbraw/zinc/43/82/97/1096438297.db2.gz BJAYWRHDAJYSQS-RISCZKNCSA-N -1 0 348.355 2.873 20 5 EFBDRM C[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001603137794 1096456940 /nfs/dbraw/zinc/45/69/40/1096456940.db2.gz CAWHUMMGKUVHTE-SECBINFHSA-N -1 0 348.277 2.564 20 5 EFBDRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603154025 1096462181 /nfs/dbraw/zinc/46/21/81/1096462181.db2.gz WDYLCMTUROZVDZ-JDNHERCYSA-N -1 0 338.335 2.597 20 5 EFBDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001603226415 1096478201 /nfs/dbraw/zinc/47/82/01/1096478201.db2.gz OBFJNRSMJDXUKG-JTQLQIEISA-N -1 0 330.296 2.535 20 5 EFBDRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1F ZINC001603239883 1096482297 /nfs/dbraw/zinc/48/22/97/1096482297.db2.gz NEZPLLXLPVYNBG-UHFFFAOYSA-N -1 0 347.302 2.743 20 5 EFBDRM CC(C)CC1(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCC1 ZINC001603272534 1096491033 /nfs/dbraw/zinc/49/10/33/1096491033.db2.gz RKBWGRZZBXHXOH-UHFFFAOYSA-N -1 0 331.380 2.798 20 5 EFBDRM CC(C)(C)C(=O)NCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001603300724 1096498903 /nfs/dbraw/zinc/49/89/03/1096498903.db2.gz YUGWVDCOJYQACE-UHFFFAOYSA-N -1 0 343.767 2.521 20 5 EFBDRM CC(C)(C)c1ccc(C(=O)Nc2ccncc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001603533789 1096545621 /nfs/dbraw/zinc/54/56/21/1096545621.db2.gz DQOMUCKEFOEYBE-UHFFFAOYSA-N -1 0 343.339 2.660 20 5 EFBDRM CC(C)(NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001603676321 1096586549 /nfs/dbraw/zinc/58/65/49/1096586549.db2.gz RYQKMUMOLBMDQR-UHFFFAOYSA-N -1 0 344.327 2.745 20 5 EFBDRM CC(C)CN(CC(=O)[O-])Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001603805547 1096633277 /nfs/dbraw/zinc/63/32/77/1096633277.db2.gz ICHCKBNYWYBGTO-UHFFFAOYSA-N -1 0 340.767 2.598 20 5 EFBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001603810604 1096633823 /nfs/dbraw/zinc/63/38/23/1096633823.db2.gz QGJJJTFOGQMPLC-UHFFFAOYSA-N -1 0 346.742 2.960 20 5 EFBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001603961000 1096682709 /nfs/dbraw/zinc/68/27/09/1096682709.db2.gz UDUUQFQAPCWTAQ-MWLCHTKSSA-N -1 0 338.385 2.546 20 5 EFBDRM CC(C)SCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001603960569 1096683364 /nfs/dbraw/zinc/68/33/64/1096683364.db2.gz FGOUPFNYDRMXGG-UHFFFAOYSA-N -1 0 329.334 2.755 20 5 EFBDRM CC(C)c1[nH]ccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001603987521 1096688872 /nfs/dbraw/zinc/68/88/72/1096688872.db2.gz IQERBTGVPMOCAJ-QGZVFWFLSA-N -1 0 345.355 2.776 20 5 EFBDRM C[C@@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC001604091607 1096729731 /nfs/dbraw/zinc/72/97/31/1096729731.db2.gz TWLKDCPBBAXBJK-INIZCTEOSA-N -1 0 333.319 2.609 20 5 EFBDRM C[C@@H](CC(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001604123229 1096744094 /nfs/dbraw/zinc/74/40/94/1096744094.db2.gz SJUUEMOUICUHRB-JTQLQIEISA-N -1 0 338.360 2.754 20 5 EFBDRM C[C@H](CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC001604149482 1096752933 /nfs/dbraw/zinc/75/29/33/1096752933.db2.gz FRLBQOSWMWPBIW-NXEZZACHSA-N -1 0 338.335 2.549 20 5 EFBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC001604183652 1096765641 /nfs/dbraw/zinc/76/56/41/1096765641.db2.gz PFYVEYCLIBIRIK-SSDOTTSWSA-N -1 0 334.250 2.611 20 5 EFBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC001604183653 1096765973 /nfs/dbraw/zinc/76/59/73/1096765973.db2.gz PFYVEYCLIBIRIK-ZETCQYMHSA-N -1 0 334.250 2.611 20 5 EFBDRM C[C@@](NC(=O)c1csc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001604316798 1096805458 /nfs/dbraw/zinc/80/54/58/1096805458.db2.gz QDQDCCJERQIYLF-AWEZNQCLSA-N -1 0 338.316 2.525 20 5 EFBDRM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001604365406 1096829380 /nfs/dbraw/zinc/82/93/80/1096829380.db2.gz VSWDJXASRVVUTL-YFKPBYRVSA-N -1 0 328.737 2.971 20 5 EFBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604365431 1096829677 /nfs/dbraw/zinc/82/96/77/1096829677.db2.gz VUJDMVDFSFKJPU-ZWNOBZJWSA-N -1 0 333.319 2.873 20 5 EFBDRM C[C@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCC[C@@H]1C(=O)[O-] ZINC001604590349 1096910896 /nfs/dbraw/zinc/91/08/96/1096910896.db2.gz AEHFLPJSNKCXTP-DIFFPNOSSA-N -1 0 345.355 2.839 20 5 EFBDRM CC1(c2ccccc2)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001604602811 1096912877 /nfs/dbraw/zinc/91/28/77/1096912877.db2.gz GFBVDHPKTFNIHM-UHFFFAOYSA-N -1 0 340.335 2.707 20 5 EFBDRM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])Cc2cncnc21 ZINC001604807623 1096960851 /nfs/dbraw/zinc/96/08/51/1096960851.db2.gz AWWBDCOKOPIFQA-QMMMGPOBSA-N -1 0 348.746 2.860 20 5 EFBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC001604936126 1096984135 /nfs/dbraw/zinc/98/41/35/1096984135.db2.gz IFWODIBQVABGCN-JMCQJSRRSA-N -1 0 328.752 2.786 20 5 EFBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001604961000 1096988078 /nfs/dbraw/zinc/98/80/78/1096988078.db2.gz VNHKHVTZRZNEED-VIFPVBQESA-N -1 0 326.374 2.642 20 5 EFBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001604961030 1096988158 /nfs/dbraw/zinc/98/81/58/1096988158.db2.gz WVWPGZCCJVSZMM-JTQLQIEISA-N -1 0 345.355 2.656 20 5 EFBDRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001604991960 1096996186 /nfs/dbraw/zinc/99/61/86/1096996186.db2.gz YCIWKRNKXGMLEL-UONOGXRCSA-N -1 0 334.372 2.848 20 5 EFBDRM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001605073002 1097015629 /nfs/dbraw/zinc/01/56/29/1097015629.db2.gz SJFFYKNOXTXTCG-UHFFFAOYSA-N -1 0 346.391 2.700 20 5 EFBDRM CC[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)C(=O)[O-] ZINC001605118355 1097025600 /nfs/dbraw/zinc/02/56/00/1097025600.db2.gz UGCYHCNQEVEKDJ-OTYXRUKQSA-N -1 0 334.328 2.661 20 5 EFBDRM CC[C@]1(CO)CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001605144380 1097033829 /nfs/dbraw/zinc/03/38/29/1097033829.db2.gz SFQDWYXMFFWOLX-HNNXBMFYSA-N -1 0 342.779 2.935 20 5 EFBDRM CCC1(c2ccccc2)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001605149675 1097034791 /nfs/dbraw/zinc/03/47/91/1097034791.db2.gz LLSLBYDXLYXNDR-UHFFFAOYSA-N -1 0 327.340 2.856 20 5 EFBDRM CC/C=C\[C@H](OC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605186809 1097047645 /nfs/dbraw/zinc/04/76/45/1097047645.db2.gz OCDGTFTXEVHWRX-WYGGZMRJSA-N -1 0 325.342 2.893 20 5 EFBDRM CCCC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605243366 1097066524 /nfs/dbraw/zinc/06/65/24/1097066524.db2.gz WUVPAOGFGGGZSK-VIFPVBQESA-N -1 0 346.286 2.569 20 5 EFBDRM CCCC[C@@H](Oc1ccc(Br)nc1[N+](=O)[O-])C(=O)[O-] ZINC001605249972 1097068799 /nfs/dbraw/zinc/06/87/99/1097068799.db2.gz IUKQZLGRZRNRDQ-MRVPVSSYSA-N -1 0 333.138 2.775 20 5 EFBDRM CCCC[C@H](Sc1ncc(C(=O)OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605253324 1097070310 /nfs/dbraw/zinc/07/03/10/1097070310.db2.gz 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244182559 /nfs/dbraw/zinc/18/25/59/244182559.db2.gz NMHPQJQOFLOXIX-UHFFFAOYSA-N -1 0 327.387 2.723 20 5 EFBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262880273 245229969 /nfs/dbraw/zinc/22/99/69/245229969.db2.gz GTMCHNIDPNHXGO-QGZVFWFLSA-N -1 0 347.371 2.555 20 5 EFBDRM C[C@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000262881394 245230034 /nfs/dbraw/zinc/23/00/34/245230034.db2.gz XYARSXKQILNFCT-YOEHRIQHSA-N -1 0 334.372 2.677 20 5 EFBDRM C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C(=O)[O-])C1 ZINC000263008366 245295445 /nfs/dbraw/zinc/29/54/45/245295445.db2.gz MXYWOLJYHMJRQM-RNCFNFMXSA-N -1 0 340.763 2.502 20 5 EFBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261971114 304160955 /nfs/dbraw/zinc/16/09/55/304160955.db2.gz ZAIGSXFKZCMVOX-DVYJOKAKSA-N -1 0 338.747 2.574 20 5 EFBDRM O=C([O-])CCCCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000263020137 245300779 /nfs/dbraw/zinc/30/07/79/245300779.db2.gz SMUKJKPHNNUOFD-UHFFFAOYSA-N -1 0 333.344 2.841 20 5 EFBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263152842 245346271 /nfs/dbraw/zinc/34/62/71/245346271.db2.gz ZEQKXOWNARZSCQ-HNNXBMFYSA-N -1 0 342.779 2.796 20 5 EFBDRM O=C([O-])[C@@]12CCC[C@H]1CN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC000263548789 304168465 /nfs/dbraw/zinc/16/84/65/304168465.db2.gz JATWXJYLILMBJA-APPDUMDISA-N -1 0 327.340 2.834 20 5 EFBDRM O=C([O-])[C@@]12CCC[C@H]1CN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC000263565730 304168923 /nfs/dbraw/zinc/16/89/23/304168923.db2.gz VWPMJVKFGWTHBM-APPDUMDISA-N -1 0 327.340 2.834 20 5 EFBDRM O=C(CCc1ccc(=O)[nH]c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000427096654 247316469 /nfs/dbraw/zinc/31/64/69/247316469.db2.gz KAODRDLCDOIQMD-UHFFFAOYSA-N -1 0 337.719 2.626 20 5 EFBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427895354 247405145 /nfs/dbraw/zinc/40/51/45/247405145.db2.gz KUCIRPRYTCBPKT-UHFFFAOYSA-N -1 0 343.217 2.672 20 5 EFBDRM CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000427748304 247389474 /nfs/dbraw/zinc/38/94/74/247389474.db2.gz NITXKNDTMBNVAZ-UHFFFAOYSA-N -1 0 346.364 2.903 20 5 EFBDRM CCOC(=O)c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC000435167389 248216000 /nfs/dbraw/zinc/21/60/00/248216000.db2.gz YGTBQHJQTJLNBZ-HWKANZROSA-N -1 0 332.268 2.628 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=NCCCc3ccccn3)[n-]2)cc1 ZINC000434948513 248198794 /nfs/dbraw/zinc/19/87/94/248198794.db2.gz XTQPWKRIHHWKOR-UHFFFAOYSA-N -1 0 325.328 2.506 20 5 EFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000434971144 248201065 /nfs/dbraw/zinc/20/10/65/248201065.db2.gz HNFAJMAKXMLXBX-UHFFFAOYSA-N -1 0 344.352 2.786 20 5 EFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC=C(c2ccncc2)C1 ZINC000436539968 249535938 /nfs/dbraw/zinc/53/59/38/249535938.db2.gz XDLNXCAACRHKJD-UHFFFAOYSA-N -1 0 325.324 2.625 20 5 EFBDRM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436773762 249595294 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O=C(NCCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000442995015 250149073 /nfs/dbraw/zinc/14/90/73/250149073.db2.gz SMGVSLVZDSWGGJ-UHFFFAOYSA-N -1 0 325.324 2.754 20 5 EFBDRM COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000444355809 250292589 /nfs/dbraw/zinc/29/25/89/250292589.db2.gz HWNIEOIDRROVQO-UHFFFAOYSA-N -1 0 330.296 2.764 20 5 EFBDRM CCOc1ccc([N+](=O)[O-])cc1CN=c1[n-]nc(SCC)s1 ZINC000447953352 250645083 /nfs/dbraw/zinc/64/50/83/250645083.db2.gz KEGCAGMZWDSWPF-UHFFFAOYSA-N -1 0 340.430 2.991 20 5 EFBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC000342988603 304222985 /nfs/dbraw/zinc/22/29/85/304222985.db2.gz KMMQSQAEXLYFGT-CQSZACIVSA-N -1 0 342.307 2.547 20 5 EFBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000449135199 250927939 /nfs/dbraw/zinc/92/79/39/250927939.db2.gz OCLDOAAHPZEAQW-GFCCVEGCSA-N -1 0 326.324 2.743 20 5 EFBDRM NC(=O)c1cccc(CN(Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)c1 ZINC000449409888 251016105 /nfs/dbraw/zinc/01/61/05/251016105.db2.gz SDZOFPCZDMEDCC-UHFFFAOYSA-N -1 0 341.367 2.564 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000451093396 251443367 /nfs/dbraw/zinc/44/33/67/251443367.db2.gz FLHYWMWRHUEJJD-UHFFFAOYSA-N -1 0 333.369 2.588 20 5 EFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c1C ZINC000153617843 224131490 /nfs/dbraw/zinc/13/14/90/224131490.db2.gz GXCKLUHYTMVRME-UHFFFAOYSA-N -1 0 340.361 2.519 20 5 EFBDRM C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C(=O)[O-] ZINC000424267308 296380059 /nfs/dbraw/zinc/38/00/59/296380059.db2.gz VDCYNJYYTDOZGE-OTYXRUKQSA-N -1 0 332.312 2.666 20 5 EFBDRM COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000181950937 533206878 /nfs/dbraw/zinc/20/68/78/533206878.db2.gz AQVPZVQSCJHEEY-ZDUSSCGKSA-N -1 0 342.351 2.939 20 5 EFBDRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000119057645 221234696 /nfs/dbraw/zinc/23/46/96/221234696.db2.gz RGUXEERZBFRSMI-QGZVFWFLSA-N -1 0 342.351 2.823 20 5 EFBDRM C[C@H](O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000119420033 221315809 /nfs/dbraw/zinc/31/58/09/221315809.db2.gz IPGSQKFWVWIWQX-WFASDCNBSA-N -1 0 344.367 2.585 20 5 EFBDRM CC(C)(C)Oc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000119774423 221397923 /nfs/dbraw/zinc/39/79/23/221397923.db2.gz DBUUBYBSIWMENS-UHFFFAOYSA-N -1 0 345.355 2.803 20 5 EFBDRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000238170319 141382091 /nfs/dbraw/zinc/38/20/91/141382091.db2.gz GOYCPWRIVJMVSE-UHFFFAOYSA-N -1 0 339.307 2.956 20 5 EFBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263444406 141394678 /nfs/dbraw/zinc/39/46/78/141394678.db2.gz MZOKGUYEEZGLAJ-UWVGGRQHSA-N -1 0 340.401 2.934 20 5 EFBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263444405 141394965 /nfs/dbraw/zinc/39/49/65/141394965.db2.gz MZOKGUYEEZGLAJ-NXEZZACHSA-N -1 0 340.401 2.934 20 5 EFBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000263456667 141396151 /nfs/dbraw/zinc/39/61/51/141396151.db2.gz PEPVYKWUKIAKJA-UHFFFAOYSA-N -1 0 338.385 2.690 20 5 EFBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000263489353 141398611 /nfs/dbraw/zinc/39/86/11/141398611.db2.gz ICKGGWGEOPLOTR-BDAKNGLRSA-N -1 0 326.736 2.574 20 5 EFBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])c1 ZINC000325870319 141501468 /nfs/dbraw/zinc/50/14/68/141501468.db2.gz KXVVRWZIOWXRMD-UHFFFAOYSA-N -1 0 330.296 2.862 20 5 EFBDRM O=C([O-])CCc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000327339814 141504174 /nfs/dbraw/zinc/50/41/74/141504174.db2.gz CEXXYYDMYSYRJK-UHFFFAOYSA-N -1 0 344.323 2.630 20 5 EFBDRM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000345006960 142111004 /nfs/dbraw/zinc/11/10/04/142111004.db2.gz CZZDFBAPGNXKMC-HUUCEWRRSA-N -1 0 342.351 2.985 20 5 EFBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346029332 142136040 /nfs/dbraw/zinc/13/60/40/142136040.db2.gz RDVYLNWAUHSQOW-UHFFFAOYSA-N -1 0 333.300 2.661 20 5 EFBDRM O=C(N=c1cccn[n-]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000346044451 142138884 /nfs/dbraw/zinc/13/88/84/142138884.db2.gz XICCETGWPOGBJO-UHFFFAOYSA-N -1 0 349.350 2.671 20 5 EFBDRM O=C(N=c1cccn[n-]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000346073269 142143497 /nfs/dbraw/zinc/14/34/97/142143497.db2.gz XLDARDXYOKMPOI-UHFFFAOYSA-N -1 0 336.307 2.851 20 5 EFBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000346447799 142206263 /nfs/dbraw/zinc/20/62/63/142206263.db2.gz CIVRXOSCCIXVGT-UHFFFAOYSA-N -1 0 332.341 2.580 20 5 EFBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000349456485 142331689 /nfs/dbraw/zinc/33/16/89/142331689.db2.gz HZJKPDMHUXFRFP-UHFFFAOYSA-N -1 0 343.339 2.960 20 5 EFBDRM COc1ccccc1CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000350100643 142399352 /nfs/dbraw/zinc/39/93/52/142399352.db2.gz SYHSQPCTAWAYOT-UHFFFAOYSA-N -1 0 344.323 2.574 20 5 EFBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccncc1F ZINC000337796946 143811097 /nfs/dbraw/zinc/81/10/97/143811097.db2.gz DSQZRTZOOUTKCD-VIFPVBQESA-N -1 0 329.291 2.774 20 5 EFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000341222535 145016111 /nfs/dbraw/zinc/01/61/11/145016111.db2.gz YQRJFPMTUIVIAO-UHFFFAOYSA-N -1 0 330.369 2.658 20 5 EFBDRM CSc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000342641978 145164209 /nfs/dbraw/zinc/16/42/09/145164209.db2.gz RUFPBLICKHOLTL-UHFFFAOYSA-N -1 0 343.361 2.652 20 5 EFBDRM Cc1ccc2c(c1)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCO2 ZINC000342740374 145182315 /nfs/dbraw/zinc/18/23/15/145182315.db2.gz LTYPSRIXXUHOAW-UHFFFAOYSA-N -1 0 328.324 2.644 20 5 EFBDRM C[C@@H](CCO)C1(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000342794307 145195077 /nfs/dbraw/zinc/19/50/77/145195077.db2.gz XPPSLJJZPNXWQU-LBPRGKRZSA-N -1 0 346.387 2.667 20 5 EFBDRM Nc1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc(F)cc1[N+](=O)[O-] ZINC000344055174 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/nfs/dbraw/zinc/95/36/90/311953690.db2.gz FSBAKWZJXUMSCY-TUYSUELWSA-N -1 0 332.356 2.567 20 5 EFBDRM COC1(C(F)(F)F)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000418090076 312323675 /nfs/dbraw/zinc/32/36/75/312323675.db2.gz KDZTZHDBMPIYAC-UHFFFAOYSA-N -1 0 334.294 2.844 20 5 EFBDRM O=C([O-])c1cc(C(=O)N2CCc3ccsc3C2)cc([N+](=O)[O-])c1 ZINC000432099409 312550429 /nfs/dbraw/zinc/55/04/29/312550429.db2.gz QYHRSRXRDJAJJV-UHFFFAOYSA-N -1 0 332.337 2.553 20 5 EFBDRM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969842 312604432 /nfs/dbraw/zinc/60/44/32/312604432.db2.gz ZQQWQIAOKZMHOZ-SJORKVTESA-N -1 0 342.351 2.951 20 5 EFBDRM O=C(Nc1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969424 312604599 /nfs/dbraw/zinc/60/45/99/312604599.db2.gz YDYZVWVMYRTMEI-UHFFFAOYSA-N -1 0 332.297 2.664 20 5 EFBDRM CCCCCn1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)n1 ZINC000436981172 312605952 /nfs/dbraw/zinc/60/59/52/312605952.db2.gz TUONMPTYAWGVKM-UHFFFAOYSA-N -1 0 346.387 2.926 20 5 EFBDRM COC(=O)c1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436989245 312606812 /nfs/dbraw/zinc/60/68/12/312606812.db2.gz NONSSFIPPGHWHX-UHFFFAOYSA-N -1 0 330.296 2.648 20 5 EFBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1noc2ccccc21 ZINC000438989243 312629579 /nfs/dbraw/zinc/62/95/79/312629579.db2.gz YUZODXKFNJBVOC-UHFFFAOYSA-N -1 0 333.325 2.678 20 5 EFBDRM Cc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)ccc1[N+](=O)[O-] ZINC000451051292 312805452 /nfs/dbraw/zinc/80/54/52/312805452.db2.gz UIUFNRXUTWFROV-UHFFFAOYSA-N -1 0 333.369 2.588 20 5 EFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCc2ccccc2CC1 ZINC000456310520 313037243 /nfs/dbraw/zinc/03/72/43/313037243.db2.gz KADSCGSOPYOIAB-UHFFFAOYSA-N -1 0 326.352 2.932 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000476910497 313237928 /nfs/dbraw/zinc/23/79/28/313237928.db2.gz AGHOULOREOOKFX-UHFFFAOYSA-N -1 0 339.373 2.990 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CCOC4(CCC4)C3)[n-]2)cc1 ZINC000486922556 313347919 /nfs/dbraw/zinc/34/79/19/313347919.db2.gz VTEGQJVZENGQOA-GFCCVEGCSA-N -1 0 330.344 2.580 20 5 EFBDRM CC(C)C[C@@H](CCO)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486941050 313349841 /nfs/dbraw/zinc/34/98/41/313349841.db2.gz RPZDTIKOFXDRBW-GFCCVEGCSA-N -1 0 334.376 2.523 20 5 EFBDRM O=[N+]([O-])c1ccc(-c2noc(=NCC3(O)CCCCCC3)[n-]2)cc1 ZINC000486937408 313350122 /nfs/dbraw/zinc/35/01/22/313350122.db2.gz MLBRGPDWNRPVKH-UHFFFAOYSA-N -1 0 332.360 2.564 20 5 EFBDRM C[C@@H](CCc1cccn1C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486945714 313350497 /nfs/dbraw/zinc/35/04/97/313350497.db2.gz QUGUPMUTGCCBHR-LBPRGKRZSA-N -1 0 341.371 2.838 20 5 EFBDRM Cc1ccccc1OCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486959445 313352400 /nfs/dbraw/zinc/35/24/00/313352400.db2.gz WAMCLNDKPBVSML-UHFFFAOYSA-N -1 0 340.339 2.866 20 5 EFBDRM CCc1cnc(CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000486958003 313352482 /nfs/dbraw/zinc/35/24/82/313352482.db2.gz RLCFISIYMKFNTI-UHFFFAOYSA-N -1 0 345.384 2.740 20 5 EFBDRM CCO[C@@H](CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000486983588 313355515 /nfs/dbraw/zinc/35/55/15/313355515.db2.gz WNFNBKFKBKLHEO-AWEZNQCLSA-N -1 0 334.376 2.930 20 5 EFBDRM C=CC(=O)Nc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000490706055 313669317 /nfs/dbraw/zinc/66/93/17/313669317.db2.gz ZJODVVZYAHZNPF-UHFFFAOYSA-N -1 0 345.286 2.816 20 5 EFBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493271975 314299781 /nfs/dbraw/zinc/29/97/81/314299781.db2.gz UANGGTZCFWJTNO-YERXGYGTSA-N -1 0 338.335 2.753 20 5 EFBDRM COC(=O)Nc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000494969979 314652933 /nfs/dbraw/zinc/65/29/33/314652933.db2.gz ILQMFALQQYNNJU-UHFFFAOYSA-N -1 0 349.274 2.870 20 5 EFBDRM COC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000495508923 314736025 /nfs/dbraw/zinc/73/60/25/314736025.db2.gz GWPKTYAYACONCT-UHFFFAOYSA-N -1 0 331.284 2.731 20 5 EFBDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000515302510 315606545 /nfs/dbraw/zinc/60/65/45/315606545.db2.gz WSLFLWNNOJOZIE-MEBBXXQBSA-N -1 0 347.371 2.624 20 5 EFBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1 ZINC000516183930 315660575 /nfs/dbraw/zinc/66/05/75/315660575.db2.gz CVEPCBPVWPTBQH-HTQZYQBOSA-N -1 0 330.793 2.920 20 5 EFBDRM C[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000516421945 315676102 /nfs/dbraw/zinc/67/61/02/315676102.db2.gz PXNPCTSPXSOYHE-NWDGAFQWSA-N -1 0 335.360 2.552 20 5 EFBDRM CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncc[nH]1 ZINC000516572750 315686920 /nfs/dbraw/zinc/68/69/20/315686920.db2.gz MNQVOINKYUHVBJ-NSHDSACASA-N -1 0 338.751 2.804 20 5 EFBDRM O=C([O-])c1ccnc(NCc2ccc3c(n2)CCCC3)c1[N+](=O)[O-] ZINC000516869847 315711929 /nfs/dbraw/zinc/71/19/29/315711929.db2.gz RGWVSRUBVOBXRP-UHFFFAOYSA-N -1 0 328.328 2.574 20 5 EFBDRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc([N+](=O)[O-])[nH]3)s2)c(C)c1 ZINC000520445970 315957951 /nfs/dbraw/zinc/95/79/51/315957951.db2.gz HMIUISMKFZZCJH-UHFFFAOYSA-N -1 0 343.368 2.732 20 5 EFBDRM CNc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000526971920 316312584 /nfs/dbraw/zinc/31/25/84/316312584.db2.gz WAFAJBCXKIDUFW-UHFFFAOYSA-N -1 0 343.339 2.906 20 5 EFBDRM O=C([O-])CC1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCCC1 ZINC000532255655 317375591 /nfs/dbraw/zinc/37/55/91/317375591.db2.gz JBUUKHGMWUKDOI-UHFFFAOYSA-N -1 0 345.355 2.984 20 5 EFBDRM CNc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000537370530 317667998 /nfs/dbraw/zinc/66/79/98/317667998.db2.gz GARQPSGYICKJJQ-STQMWFEESA-N -1 0 349.387 2.790 20 5 EFBDRM CC(C)n1ncc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cnc21 ZINC000541873608 317795208 /nfs/dbraw/zinc/79/52/08/317795208.db2.gz GOYMGMGOWLMXNY-UHFFFAOYSA-N -1 0 341.327 2.878 20 5 EFBDRM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000544501667 317886633 /nfs/dbraw/zinc/88/66/33/317886633.db2.gz LMPQXMSDCWBSMO-UHFFFAOYSA-N -1 0 331.303 2.536 20 5 EFBDRM O=C(NC1CC(OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547811422 318044582 /nfs/dbraw/zinc/04/45/82/318044582.db2.gz VRSTYHMOFZNOMS-UHFFFAOYSA-N -1 0 342.351 2.778 20 5 EFBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000553729449 318292256 /nfs/dbraw/zinc/29/22/56/318292256.db2.gz AAMQSLNNIGPDPJ-UHFFFAOYSA-N -1 0 349.368 2.503 20 5 EFBDRM O=C([O-])c1cc(NCc2ccc(N3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000554560317 318324064 /nfs/dbraw/zinc/32/40/64/318324064.db2.gz QRDXGOJUMWPVFR-UHFFFAOYSA-N -1 0 342.355 2.900 20 5 EFBDRM Cc1cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000555760419 318368807 /nfs/dbraw/zinc/36/88/07/318368807.db2.gz WTAANSIKODSEKX-AWEZNQCLSA-N -1 0 347.302 2.990 20 5 EFBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000562922221 318713412 /nfs/dbraw/zinc/71/34/12/318713412.db2.gz JCNVSKDIMXARBT-ZDUSSCGKSA-N -1 0 334.372 2.847 20 5 EFBDRM O=C([O-])c1ccnc(N[C@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000563204868 318753344 /nfs/dbraw/zinc/75/33/44/318753344.db2.gz RDIXIYATIDSIQD-LBPRGKRZSA-N -1 0 342.355 2.769 20 5 EFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@H](C)c2nccs2)n1 ZINC000563208699 318754066 /nfs/dbraw/zinc/75/40/66/318754066.db2.gz VOGBISGVXHFSFS-QMMMGPOBSA-N -1 0 336.373 2.693 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ccccc3F)C2)n1 ZINC000565036843 318925645 /nfs/dbraw/zinc/92/56/45/318925645.db2.gz VPRWQAPPZSFSTH-JTQLQIEISA-N -1 0 346.318 2.518 20 5 EFBDRM O=C([O-])[C@@H]1CC12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC000565041192 318926154 /nfs/dbraw/zinc/92/61/54/318926154.db2.gz LZAJRCBYBSLOLX-AWEZNQCLSA-N -1 0 327.340 2.834 20 5 EFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1[N+](=O)[O-] ZINC000565232893 318950064 /nfs/dbraw/zinc/95/00/64/318950064.db2.gz GHFHWQGNYOHBOU-UHFFFAOYSA-N -1 0 336.373 2.613 20 5 EFBDRM CNc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000565344376 318959728 /nfs/dbraw/zinc/95/97/28/318959728.db2.gz NOAKJSAKNBVXFG-LBPRGKRZSA-N -1 0 337.376 2.646 20 5 EFBDRM C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000565811718 319004277 /nfs/dbraw/zinc/00/42/77/319004277.db2.gz AKPKTHKGRQHEJT-PRHODGIISA-N -1 0 341.751 2.965 20 5 EFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOCC2(CCC2)C1 ZINC000566012115 319023533 /nfs/dbraw/zinc/02/35/33/319023533.db2.gz RDNUIRMXAAOAEM-UHFFFAOYSA-N -1 0 340.763 2.597 20 5 EFBDRM CCn1nccc1C1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566290375 319057925 /nfs/dbraw/zinc/05/79/25/319057925.db2.gz GVSGJGMJAIGGMS-UHFFFAOYSA-N -1 0 344.371 2.893 20 5 EFBDRM Cc1nc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)no1 ZINC000566292095 319058435 /nfs/dbraw/zinc/05/84/35/319058435.db2.gz XGHGBURVFASDNG-LBPRGKRZSA-N -1 0 332.316 2.634 20 5 EFBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000566294109 319058879 /nfs/dbraw/zinc/05/88/79/319058879.db2.gz SFULIHBJVWHNAE-IAQYHMDHSA-N -1 0 343.339 2.654 20 5 EFBDRM C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566297388 319059228 /nfs/dbraw/zinc/05/92/28/319059228.db2.gz PHQCIXZFJFGADU-AHIWAGSCSA-N -1 0 349.387 2.598 20 5 EFBDRM Cc1cc(NCCCOC[C@@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295170 319059514 /nfs/dbraw/zinc/05/95/14/319059514.db2.gz UJXHVXBUSUWTJI-ZDUSSCGKSA-N -1 0 338.360 2.599 20 5 EFBDRM C[C@H](CC(=O)[O-])N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566505706 319084843 /nfs/dbraw/zinc/08/48/43/319084843.db2.gz QAHIPEJAENBIKH-SECBINFHSA-N -1 0 349.368 2.654 20 5 EFBDRM Cc1ccc(O[C@H](C)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000566681170 319101466 /nfs/dbraw/zinc/10/14/66/319101466.db2.gz DPBSJNYUZMITHR-LLVKDONJSA-N -1 0 331.328 2.876 20 5 EFBDRM C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C(=O)[O-] ZINC000566915835 319121924 /nfs/dbraw/zinc/12/19/24/319121924.db2.gz OLXWHIBWTQUPIM-CABZTGNLSA-N -1 0 348.380 2.992 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000566917337 319122112 /nfs/dbraw/zinc/12/21/12/319122112.db2.gz IUPUPCVTUNOZOO-LLVKDONJSA-N -1 0 344.327 2.547 20 5 EFBDRM Cc1cc(N2CCC[C@@H](OCC3CC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566975412 319127580 /nfs/dbraw/zinc/12/75/80/319127580.db2.gz CKFNANAZGPRRQA-CQSZACIVSA-N -1 0 334.372 2.997 20 5 EFBDRM O=C([O-])c1cc(-c2cccc(CO[C@H]3CCOC3)c2)ncc1[N+](=O)[O-] ZINC000566984393 319128797 /nfs/dbraw/zinc/12/87/97/319128797.db2.gz IPYVUCVKEUJWLW-ZDUSSCGKSA-N -1 0 344.323 2.661 20 5 EFBDRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567446038 319171276 /nfs/dbraw/zinc/17/12/76/319171276.db2.gz VCZOLQZODBUQHK-NSHDSACASA-N -1 0 335.360 2.695 20 5 EFBDRM C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000567866385 319220009 /nfs/dbraw/zinc/22/00/09/319220009.db2.gz VKSDCPZWSDAJLJ-SCZZXKLOSA-N -1 0 343.177 2.904 20 5 EFBDRM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567940350 319228453 /nfs/dbraw/zinc/22/84/53/319228453.db2.gz 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319384020 /nfs/dbraw/zinc/38/40/20/319384020.db2.gz BSWMPCQNKRZQSK-CYBMUJFWSA-N -1 0 344.323 2.661 20 5 EFBDRM COCCC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000569849274 319421367 /nfs/dbraw/zinc/42/13/67/319421367.db2.gz XJOXLFVPAPAPMR-UHFFFAOYSA-N -1 0 342.779 2.890 20 5 EFBDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000569981734 319433249 /nfs/dbraw/zinc/43/32/49/319433249.db2.gz PQPSMJKPBBSRSN-GFCCVEGCSA-N -1 0 345.355 2.769 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000570455065 319478725 /nfs/dbraw/zinc/47/87/25/319478725.db2.gz WPVYGYASSIXSHV-CYBMUJFWSA-N -1 0 327.340 2.757 20 5 EFBDRM C[C@@H](CC(=O)[O-])N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570941942 319528077 /nfs/dbraw/zinc/52/80/77/319528077.db2.gz DUKPTMHNLWBFJR-QMMMGPOBSA-N -1 0 346.792 2.662 20 5 EFBDRM COCCOc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000570957257 319529566 /nfs/dbraw/zinc/52/95/66/319529566.db2.gz GZQRPEABSGOUDV-UHFFFAOYSA-N -1 0 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O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000152824353 717992706 /nfs/dbraw/zinc/99/27/06/717992706.db2.gz OBZZMEBFGUTMIX-UHFFFAOYSA-N -1 0 331.712 2.583 20 5 EFBDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000262545715 715219444 /nfs/dbraw/zinc/21/94/44/715219444.db2.gz RSXSQBCRBSOFLY-QMMMGPOBSA-N -1 0 327.724 2.577 20 5 EFBDRM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162849606 716913083 /nfs/dbraw/zinc/91/30/83/716913083.db2.gz AIXCSUQGXFQOSI-MRXNPFEDSA-N -1 0 342.351 2.544 20 5 EFBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1F ZINC000003532655 718195737 /nfs/dbraw/zinc/19/57/37/718195737.db2.gz IORWHNRAMFXBHA-UHFFFAOYSA-N -1 0 332.259 2.813 20 5 EFBDRM O=C(N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1ccccc1O ZINC001059554609 724512939 /nfs/dbraw/zinc/51/29/39/724512939.db2.gz SZSXDBFDFDHOFA-PHIMTYICSA-N -1 0 345.330 2.812 20 5 EFBDRM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1O ZINC001059554611 724513023 /nfs/dbraw/zinc/51/30/23/724513023.db2.gz TVVKEPXFUIFPAZ-PHIMTYICSA-N -1 0 345.330 2.812 20 5 EFBDRM CCCS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840954528 718814220 /nfs/dbraw/zinc/81/42/20/718814220.db2.gz JPVVXNAYVGDWHM-JTQLQIEISA-N -1 0 344.286 2.667 20 5 EFBDRM COc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000013449143 718993869 /nfs/dbraw/zinc/99/38/69/718993869.db2.gz GPQLCYBSBDHPDI-UHFFFAOYSA-N -1 0 342.307 2.505 20 5 EFBDRM Cc1cccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1[N+](=O)[O-] ZINC000013447574 718993957 /nfs/dbraw/zinc/99/39/57/718993957.db2.gz GOCDBGCAZFOTLY-UHFFFAOYSA-N -1 0 326.308 2.804 20 5 EFBDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047417918 721064362 /nfs/dbraw/zinc/06/43/62/721064362.db2.gz VJWOMMXPYRZXBC-UHFFFAOYSA-N -1 0 328.296 2.982 20 5 EFBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047417524 721065326 /nfs/dbraw/zinc/06/53/26/721065326.db2.gz AIKLOCNTRYQPGF-UHFFFAOYSA-N -1 0 338.316 2.737 20 5 EFBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCC2CCCCCCC2)ccc1[O-] ZINC000917927098 728806233 /nfs/dbraw/zinc/80/62/33/728806233.db2.gz HIHDHXQEHJMAMN-UHFFFAOYSA-N -1 0 342.417 2.939 20 5 EFBDRM Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000007357287 723434611 /nfs/dbraw/zinc/43/46/11/723434611.db2.gz JZOKWRVWJBMOQF-UHFFFAOYSA-N -1 0 327.749 2.631 20 5 EFBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1F ZINC000007405654 723555978 /nfs/dbraw/zinc/55/59/78/723555978.db2.gz MTNQVUNJYNNVJV-UHFFFAOYSA-N -1 0 332.259 2.813 20 5 EFBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)CC ZINC000151521761 725518273 /nfs/dbraw/zinc/51/82/73/725518273.db2.gz FLRHYVPYOGSLAQ-UHFFFAOYSA-N -1 0 340.401 2.763 20 5 EFBDRM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1[N+](=O)[O-] ZINC000043570219 727133588 /nfs/dbraw/zinc/13/35/88/727133588.db2.gz CTVUEHKKLQZBID-UHFFFAOYSA-N -1 0 327.749 2.752 20 5 EFBDRM Cc1cc(NCC[C@H](N(C)C)C(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910334763 727431835 /nfs/dbraw/zinc/43/18/35/727431835.db2.gz MHPHSCCKPPPIOX-LBPRGKRZSA-N -1 0 349.309 2.896 20 5 EFBDRM Cc1cc(N2CC[C@@H](c3cccnc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910344884 727432716 /nfs/dbraw/zinc/43/27/16/727432716.db2.gz GTNQYEOPYQDUFM-CYBMUJFWSA-N -1 0 327.340 2.990 20 5 EFBDRM O=C([O-])Cc1ccc(N2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000910345665 727432847 /nfs/dbraw/zinc/43/28/47/727432847.db2.gz KYZJTESHUIWCRV-AWEZNQCLSA-N -1 0 327.340 2.611 20 5 EFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Cc3nccs3)C2)c1 ZINC000910388772 727438275 /nfs/dbraw/zinc/43/82/75/727438275.db2.gz LVVGVASHOMELEB-JTQLQIEISA-N -1 0 333.369 2.819 20 5 EFBDRM CC(C)(C)Oc1cc(N2CC[C@](F)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000910452207 727442235 /nfs/dbraw/zinc/44/22/35/727442235.db2.gz GFMVBXSPUWAAPG-OAHLLOKOSA-N -1 0 326.324 2.775 20 5 EFBDRM O=C([O-])[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000910454255 727442353 /nfs/dbraw/zinc/44/23/53/727442353.db2.gz NHJHXHIVKPCWLW-INIZCTEOSA-N -1 0 331.303 2.660 20 5 EFBDRM COC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000917382965 727800964 /nfs/dbraw/zinc/80/09/64/727800964.db2.gz BYPGHYGFSVKUAH-UHFFFAOYSA-N -1 0 331.284 2.731 20 5 EFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000221852891 727897756 /nfs/dbraw/zinc/89/77/56/727897756.db2.gz PIPKRDQIBVVSPZ-UHFFFAOYSA-N -1 0 327.749 2.752 20 5 EFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000055547344 727945597 /nfs/dbraw/zinc/94/55/97/727945597.db2.gz LMIZTDLSECSFMJ-UHFFFAOYSA-N -1 0 337.313 2.612 20 5 EFBDRM Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1[N+](=O)[O-] ZINC000059354300 728296138 /nfs/dbraw/zinc/29/61/38/728296138.db2.gz HJFGNKKCYTZIKO-UHFFFAOYSA-N -1 0 347.283 2.535 20 5 EFBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cnc1Br ZINC000228840331 728445502 /nfs/dbraw/zinc/44/55/02/728445502.db2.gz BMIOUKDSMLHFCQ-UHFFFAOYSA-N -1 0 325.122 2.641 20 5 EFBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920321953 729173607 /nfs/dbraw/zinc/17/36/07/729173607.db2.gz SKSBIBGAJMYDOP-VQHVLOKHSA-N -1 0 346.792 2.800 20 5 EFBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237947950 729672760 /nfs/dbraw/zinc/67/27/60/729672760.db2.gz SIARQLSXQZMEMO-ZDUSSCGKSA-N -1 0 349.387 2.500 20 5 EFBDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160805 729783129 /nfs/dbraw/zinc/78/31/29/729783129.db2.gz UCJMYTVODCRBOA-SECBINFHSA-N -1 0 334.419 2.678 20 5 EFBDRM