smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001165010420 721702306 /nfs/dbraw/zinc/70/23/06/721702306.db2.gz IFJXTXKOWXOYOQ-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001165010420 721702308 /nfs/dbraw/zinc/70/23/08/721702308.db2.gz IFJXTXKOWXOYOQ-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000011676672 551107211 /nfs/dbraw/zinc/10/72/11/551107211.db2.gz LHJZPPUAZZTNKX-UHFFFAOYSA-N 1 2 378.801 2.656 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000066327750 551186193 /nfs/dbraw/zinc/18/61/93/551186193.db2.gz FWTFUEUWPGZGPW-CQSZACIVSA-N 1 2 381.479 2.599 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066327750 551186195 /nfs/dbraw/zinc/18/61/95/551186195.db2.gz FWTFUEUWPGZGPW-CQSZACIVSA-N 1 2 381.479 2.599 20 5 GFBDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162086101 551602942 /nfs/dbraw/zinc/60/29/42/551602942.db2.gz ZWRWIQHRRYQCDM-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162086101 551602944 /nfs/dbraw/zinc/60/29/44/551602944.db2.gz ZWRWIQHRRYQCDM-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c(F)c1 ZINC000185680974 552368893 /nfs/dbraw/zinc/36/88/93/552368893.db2.gz LQYSHLQVLBHJAC-UHFFFAOYSA-N 1 2 379.291 2.887 20 5 GFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)S1 ZINC000301370650 563401526 /nfs/dbraw/zinc/40/15/26/563401526.db2.gz VCJLUBBOVUADKL-JTQLQIEISA-N 1 2 385.287 2.971 20 5 GFBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)nc2)c(Br)c1 ZINC000301559743 563407494 /nfs/dbraw/zinc/40/74/94/563407494.db2.gz UAEPAOCTVLAZCU-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425495575 563425493 /nfs/dbraw/zinc/42/54/93/563425493.db2.gz SUFGKGVGNFLYHA-ZDUSSCGKSA-N 1 2 385.262 2.593 20 5 GFBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425495575 563425496 /nfs/dbraw/zinc/42/54/96/563425496.db2.gz SUFGKGVGNFLYHA-ZDUSSCGKSA-N 1 2 385.262 2.593 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000378266056 563500370 /nfs/dbraw/zinc/50/03/70/563500370.db2.gz PVEYVYVFCRVVPK-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285596405 563527839 /nfs/dbraw/zinc/52/78/39/563527839.db2.gz AXNXXRUXKHZWKB-UHFFFAOYSA-N 1 2 379.214 2.516 20 5 GFBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094573 563647631 /nfs/dbraw/zinc/64/76/31/563647631.db2.gz SGWIRSMHQYEVEC-ZYHUDNBSSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094573 563647635 /nfs/dbraw/zinc/64/76/35/563647635.db2.gz SGWIRSMHQYEVEC-ZYHUDNBSSA-N 1 2 390.221 2.792 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000290871549 563725057 /nfs/dbraw/zinc/72/50/57/563725057.db2.gz YEHSTTZVAZEZCK-UHFFFAOYSA-N 1 2 388.808 2.679 20 5 GFBDLO CON(C)C(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000291290272 563737615 /nfs/dbraw/zinc/73/76/15/563737615.db2.gz PLZQSMZFUUBTST-UHFFFAOYSA-N 1 2 386.246 2.589 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368674565 563877081 /nfs/dbraw/zinc/87/70/81/563877081.db2.gz AJQKRWVSUASWQM-VIFPVBQESA-N 1 2 380.202 2.759 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368674565 563877083 /nfs/dbraw/zinc/87/70/83/563877083.db2.gz AJQKRWVSUASWQM-VIFPVBQESA-N 1 2 380.202 2.759 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000369352620 563893080 /nfs/dbraw/zinc/89/30/80/563893080.db2.gz KMSLFBOJXBSLSJ-LLVKDONJSA-N 1 2 384.845 2.550 20 5 GFBDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475448139 564308669 /nfs/dbraw/zinc/30/86/69/564308669.db2.gz VEFCYLHGUGBGTM-HNNXBMFYSA-N 1 2 378.226 2.982 20 5 GFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545036 564324334 /nfs/dbraw/zinc/32/43/34/564324334.db2.gz NPQSNTMBKJUXAQ-IINYFYTJSA-N 1 2 386.246 2.653 20 5 GFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545036 564324337 /nfs/dbraw/zinc/32/43/37/564324337.db2.gz NPQSNTMBKJUXAQ-IINYFYTJSA-N 1 2 386.246 2.653 20 5 GFBDLO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486625555 564659219 /nfs/dbraw/zinc/65/92/19/564659219.db2.gz DRDUCZAALBEWPX-CYBMUJFWSA-N 1 2 396.296 2.862 20 5 GFBDLO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000486625555 564659220 /nfs/dbraw/zinc/65/92/20/564659220.db2.gz DRDUCZAALBEWPX-CYBMUJFWSA-N 1 2 396.296 2.862 20 5 GFBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462423270 564838561 /nfs/dbraw/zinc/83/85/61/564838561.db2.gz UCGUQVAOHANUPT-JTQLQIEISA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462423270 564838564 /nfs/dbraw/zinc/83/85/64/564838564.db2.gz UCGUQVAOHANUPT-JTQLQIEISA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410073 564889856 /nfs/dbraw/zinc/88/98/56/564889856.db2.gz SBCMVKUOVSNVNU-CMPLNLGQSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410073 564889860 /nfs/dbraw/zinc/88/98/60/564889860.db2.gz SBCMVKUOVSNVNU-CMPLNLGQSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1sc(S(=O)(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000467416353 564962854 /nfs/dbraw/zinc/96/28/54/564962854.db2.gz BBDWZXCGBYSLHP-UHFFFAOYSA-N 1 2 380.451 2.601 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000585698286 565105074 /nfs/dbraw/zinc/10/50/74/565105074.db2.gz GMEUXZFNLORVQR-UHFFFAOYSA-N 1 2 392.209 2.964 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC23CCOCC3)c1 ZINC000589515180 565165029 /nfs/dbraw/zinc/16/50/29/565165029.db2.gz RYTWHSODWIDQOU-UHFFFAOYSA-N 1 2 388.205 2.954 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC23CCOCC3)c1 ZINC000589515180 565165032 /nfs/dbraw/zinc/16/50/32/565165032.db2.gz RYTWHSODWIDQOU-UHFFFAOYSA-N 1 2 388.205 2.954 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(CNc2cccc(CO)[nH+]2)c1 ZINC000589596691 565167367 /nfs/dbraw/zinc/16/73/67/565167367.db2.gz DSZUINLANGLNGE-UHFFFAOYSA-N 1 2 385.161 2.699 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972153 565211833 /nfs/dbraw/zinc/21/18/33/565211833.db2.gz LJQNXUATPMNOEU-RISCZKNCSA-N 1 2 388.205 2.810 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972153 565211838 /nfs/dbraw/zinc/21/18/38/565211838.db2.gz LJQNXUATPMNOEU-RISCZKNCSA-N 1 2 388.205 2.810 20 5 GFBDLO Cc1cccc2[nH+]c(CCNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn21 ZINC000592006682 565247422 /nfs/dbraw/zinc/24/74/22/565247422.db2.gz SQMKLGAVRYZYRI-UHFFFAOYSA-N 1 2 380.451 2.671 20 5 GFBDLO Cn1cc(C[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602728412 565865149 /nfs/dbraw/zinc/86/51/49/565865149.db2.gz LTSAGVZGOKMQIY-ZDUSSCGKSA-N 1 2 389.239 2.507 20 5 GFBDLO Cn1cc(C[N@@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602728412 565865156 /nfs/dbraw/zinc/86/51/56/565865156.db2.gz LTSAGVZGOKMQIY-ZDUSSCGKSA-N 1 2 389.239 2.507 20 5 GFBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000602803031 565869491 /nfs/dbraw/zinc/86/94/91/565869491.db2.gz VEIJHZHDZQYXTM-VIFPVBQESA-N 1 2 397.229 2.713 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000602953232 565876505 /nfs/dbraw/zinc/87/65/05/565876505.db2.gz YNJGAUOJAOUJGL-UHFFFAOYSA-N 1 2 384.523 2.978 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c(Br)c1 ZINC000611183351 566120031 /nfs/dbraw/zinc/12/00/31/566120031.db2.gz OWEJOXGHAFKBSY-UHFFFAOYSA-N 1 2 397.210 2.806 20 5 GFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288121 608854262 /nfs/dbraw/zinc/85/42/62/608854262.db2.gz RWEQGMBPWUZJPY-GOSISDBHSA-N 1 2 380.408 2.657 20 5 GFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288121 608854264 /nfs/dbraw/zinc/85/42/64/608854264.db2.gz RWEQGMBPWUZJPY-GOSISDBHSA-N 1 2 380.408 2.657 20 5 GFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269267303 655003691 /nfs/dbraw/zinc/00/36/91/655003691.db2.gz DRCGRTRSGPOPCD-LLVKDONJSA-N 1 2 384.845 2.848 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccco1 ZINC000798224748 659084188 /nfs/dbraw/zinc/08/41/88/659084188.db2.gz MCPZFWJELXHHFE-LLVKDONJSA-N 1 2 391.808 2.562 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000815009137 660100968 /nfs/dbraw/zinc/10/09/68/660100968.db2.gz BWBOMQOYTQOSLK-JTQLQIEISA-N 1 2 388.808 2.610 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000848509153 661658847 /nfs/dbraw/zinc/65/88/47/661658847.db2.gz UQNIDFPSOINVMH-CHWSQXEVSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000848509153 661658849 /nfs/dbraw/zinc/65/88/49/661658849.db2.gz UQNIDFPSOINVMH-CHWSQXEVSA-N 1 2 391.852 2.683 20 5 GFBDLO C[C@](O)(C[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571270 662899086 /nfs/dbraw/zinc/89/90/86/662899086.db2.gz PHXLOYUOAHAXKC-SJCJKPOMSA-N 1 2 399.285 2.627 20 5 GFBDLO C[C@](O)(C[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571270 662899088 /nfs/dbraw/zinc/89/90/88/662899088.db2.gz PHXLOYUOAHAXKC-SJCJKPOMSA-N 1 2 399.285 2.627 20 5 GFBDLO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000892101588 663361685 /nfs/dbraw/zinc/36/16/85/663361685.db2.gz OIERJFZWSJFPIB-CZUORRHYSA-N 1 2 382.258 2.526 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000066327525 551186566 /nfs/dbraw/zinc/18/65/66/551186566.db2.gz XCDDJVVTQUXHKX-UHFFFAOYSA-N 1 2 381.479 2.553 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000066327525 551186569 /nfs/dbraw/zinc/18/65/69/551186569.db2.gz XCDDJVVTQUXHKX-UHFFFAOYSA-N 1 2 381.479 2.553 20 5 GFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000123349917 551305516 /nfs/dbraw/zinc/30/55/16/551305516.db2.gz QJSCTDDQIPBRNC-UHFFFAOYSA-N 1 2 379.214 2.984 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151278794 551410566 /nfs/dbraw/zinc/41/05/66/551410566.db2.gz QCQFARZMRLPFKG-FZMZJTMJSA-N 1 2 384.845 2.717 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000369416829 563214144 /nfs/dbraw/zinc/21/41/44/563214144.db2.gz JARXHBSMLKHLIN-GFCCVEGCSA-N 1 2 380.857 2.976 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000371456685 563277729 /nfs/dbraw/zinc/27/77/29/563277729.db2.gz HCEPGPMLMDWEMH-CQSZACIVSA-N 1 2 393.241 2.997 20 5 GFBDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000421016611 563293607 /nfs/dbraw/zinc/29/36/07/563293607.db2.gz LNRMDLYQMFMFIE-NOZJJQNGSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000421016611 563293605 /nfs/dbraw/zinc/29/36/05/563293605.db2.gz LNRMDLYQMFMFIE-NOZJJQNGSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)S1 ZINC000301579081 563407229 /nfs/dbraw/zinc/40/72/29/563407229.db2.gz NDGKVLOGQLAUDS-JTQLQIEISA-N 1 2 385.287 2.971 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369351623 563892924 /nfs/dbraw/zinc/89/29/24/563892924.db2.gz FPFLYHIANWUTBU-NSHDSACASA-N 1 2 384.845 2.550 20 5 GFBDLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1c([N+](=O)[O-])ncn1C ZINC000475352166 564306475 /nfs/dbraw/zinc/30/64/75/564306475.db2.gz SNTNEWNEDQALPD-UHFFFAOYSA-N 1 2 383.246 2.992 20 5 GFBDLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1c([N+](=O)[O-])ncn1C ZINC000475352166 564306478 /nfs/dbraw/zinc/30/64/78/564306478.db2.gz SNTNEWNEDQALPD-UHFFFAOYSA-N 1 2 383.246 2.992 20 5 GFBDLO O=[N+]([O-])c1ccc(Cc2noc(CCn3cc[nH+]c3)n2)c(Br)c1 ZINC000545006810 564406991 /nfs/dbraw/zinc/40/69/91/564406991.db2.gz FWMBGKKHQYOCQA-UHFFFAOYSA-N 1 2 378.186 2.770 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000499097150 564918205 /nfs/dbraw/zinc/91/82/05/564918205.db2.gz NPHCEMWTACIJCL-AWEZNQCLSA-N 1 2 387.845 2.731 20 5 GFBDLO Cc1cc[nH+]cc1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000619589418 565350425 /nfs/dbraw/zinc/35/04/25/565350425.db2.gz LURKWVWPBRVDTG-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392937 565473076 /nfs/dbraw/zinc/47/30/76/565473076.db2.gz MNFRHECSXNDEIE-AWEZNQCLSA-N 1 2 381.479 2.518 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392937 565473081 /nfs/dbraw/zinc/47/30/81/565473081.db2.gz MNFRHECSXNDEIE-AWEZNQCLSA-N 1 2 381.479 2.518 20 5 GFBDLO Cc1noc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000595722707 565488957 /nfs/dbraw/zinc/48/89/57/565488957.db2.gz GOLMDVAEDAPUHL-UHFFFAOYSA-N 1 2 381.230 2.976 20 5 GFBDLO COc1ncc(Br)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731141 565866233 /nfs/dbraw/zinc/86/62/33/565866233.db2.gz JMJJVTALFAOMPW-MRXNPFEDSA-N 1 2 396.241 2.758 20 5 GFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000602879530 565873284 /nfs/dbraw/zinc/87/32/84/565873284.db2.gz AUIWNOVOWBKBPC-AWEZNQCLSA-N 1 2 397.273 2.940 20 5 GFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000602879531 565873634 /nfs/dbraw/zinc/87/36/34/565873634.db2.gz AUIWNOVOWBKBPC-CQSZACIVSA-N 1 2 397.273 2.940 20 5 GFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738369629 598249571 /nfs/dbraw/zinc/24/95/71/598249571.db2.gz KSTMUTSIAXWDDM-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627073 608488874 /nfs/dbraw/zinc/48/88/74/608488874.db2.gz TXZCQEZWKZLZKB-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000826341866 608565197 /nfs/dbraw/zinc/56/51/97/608565197.db2.gz RSHZMKSUHUAQLV-MNOVXSKESA-N 1 2 399.411 2.663 20 5 GFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c1C ZINC000825652336 660436137 /nfs/dbraw/zinc/43/61/37/660436137.db2.gz GKRFCGQGZAXQEN-UHFFFAOYSA-N 1 2 395.213 2.703 20 5 GFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601218 661094894 /nfs/dbraw/zinc/09/48/94/661094894.db2.gz PLHQLHUUJVPFCY-JSGCOSHPSA-N 1 2 384.274 2.652 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840976450 661223814 /nfs/dbraw/zinc/22/38/14/661223814.db2.gz FPBNOYOBRRIBKP-SNVBAGLBSA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840976450 661223821 /nfs/dbraw/zinc/22/38/21/661223821.db2.gz FPBNOYOBRRIBKP-SNVBAGLBSA-N 1 2 389.271 2.695 20 5 GFBDLO C[N@H+](CC(F)F)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000766423712 656170937 /nfs/dbraw/zinc/17/09/37/656170937.db2.gz YZXRQBWULYNCCJ-UHFFFAOYSA-N 1 2 379.205 2.918 20 5 GFBDLO C[N@@H+](CC(F)F)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000766423712 656170938 /nfs/dbraw/zinc/17/09/38/656170938.db2.gz YZXRQBWULYNCCJ-UHFFFAOYSA-N 1 2 379.205 2.918 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155991 659168858 /nfs/dbraw/zinc/16/88/58/659168858.db2.gz JZQIJWSPGLVDLX-OXHZDVMGSA-N 1 2 387.278 2.773 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155991 659168861 /nfs/dbraw/zinc/16/88/61/659168861.db2.gz JZQIJWSPGLVDLX-OXHZDVMGSA-N 1 2 387.278 2.773 20 5 GFBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809805669 659939983 /nfs/dbraw/zinc/93/99/83/659939983.db2.gz IBCZHWRYADOWJX-UHFFFAOYSA-N 1 2 396.296 2.864 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC000927764789 664715428 /nfs/dbraw/zinc/71/54/28/664715428.db2.gz FCWODTNQEDUOFZ-UHFFFAOYSA-N 1 2 386.836 2.764 20 5 GFBDLO O=C1NCCN1CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000933581374 664869526 /nfs/dbraw/zinc/86/95/26/664869526.db2.gz ZQVYCRZAYMSTAV-UHFFFAOYSA-N 1 2 397.273 2.595 20 5 GFBDLO CCNC(=O)NC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000003518039 206213765 /nfs/dbraw/zinc/21/37/65/206213765.db2.gz LAIZDJAWMWZHNZ-UHFFFAOYSA-N 1 2 379.445 2.974 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000066327381 551186362 /nfs/dbraw/zinc/18/63/62/551186362.db2.gz HTVVTZSZZGKMAS-AWEZNQCLSA-N 1 2 381.479 2.772 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000153511694 551454219 /nfs/dbraw/zinc/45/42/19/551454219.db2.gz VTFMBKKNPXSXSY-LBPRGKRZSA-N 1 2 379.214 2.607 20 5 GFBDLO Cc1cc(C[NH+]2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)on1 ZINC000198361806 553051733 /nfs/dbraw/zinc/05/17/33/553051733.db2.gz VQGPWLFHDYFQFC-UHFFFAOYSA-N 1 2 381.230 2.976 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000374383443 563370643 /nfs/dbraw/zinc/37/06/43/563370643.db2.gz FZCJWAAWUBOBFF-GFCCVEGCSA-N 1 2 393.241 2.649 20 5 GFBDLO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000425281974 563416203 /nfs/dbraw/zinc/41/62/03/563416203.db2.gz QJFXAELCBSRVAA-UHFFFAOYSA-N 1 2 387.278 2.608 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282924447 563429637 /nfs/dbraw/zinc/42/96/37/563429637.db2.gz YCZSPRJJEQUTNO-UHFFFAOYSA-N 1 2 387.889 2.638 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291319640 563738992 /nfs/dbraw/zinc/73/89/92/563738992.db2.gz SLQPJWAYRVDXLA-ZDUSSCGKSA-N 1 2 398.204 2.843 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291319640 563738997 /nfs/dbraw/zinc/73/89/97/563738997.db2.gz SLQPJWAYRVDXLA-ZDUSSCGKSA-N 1 2 398.204 2.843 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000364528400 563756292 /nfs/dbraw/zinc/75/62/92/563756292.db2.gz LGYHGUYIKTZLCJ-JTQLQIEISA-N 1 2 379.214 2.607 20 5 GFBDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000368876047 563880506 /nfs/dbraw/zinc/88/05/06/563880506.db2.gz OJJZBDKCTABBDI-UHFFFAOYSA-N 1 2 382.873 2.996 20 5 GFBDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000368876047 563880510 /nfs/dbraw/zinc/88/05/10/563880510.db2.gz OJJZBDKCTABBDI-UHFFFAOYSA-N 1 2 382.873 2.996 20 5 GFBDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935136 563891400 /nfs/dbraw/zinc/89/14/00/563891400.db2.gz DPQZVNBHHYUHIS-ZDUSSCGKSA-N 1 2 375.878 2.647 20 5 GFBDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935136 563891401 /nfs/dbraw/zinc/89/14/01/563891401.db2.gz DPQZVNBHHYUHIS-ZDUSSCGKSA-N 1 2 375.878 2.647 20 5 GFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2c(cc1Br)OCCO2 ZINC000539281398 564216002 /nfs/dbraw/zinc/21/60/02/564216002.db2.gz RSPBCXAALIWRRH-SECBINFHSA-N 1 2 397.229 2.713 20 5 GFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000483823357 564575698 /nfs/dbraw/zinc/57/56/98/564575698.db2.gz YYLJCVWLLNTNTH-UHFFFAOYSA-N 1 2 375.182 2.935 20 5 GFBDLO CN(CC[NH+]1CCOCC1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000523113026 564662358 /nfs/dbraw/zinc/66/23/58/564662358.db2.gz UIBSIJTXBIVXLC-UHFFFAOYSA-N 1 2 395.257 2.674 20 5 GFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000499784787 564936316 /nfs/dbraw/zinc/93/63/16/564936316.db2.gz XAWXZAFUVMOEMI-UHFFFAOYSA-N 1 2 390.197 2.517 20 5 GFBDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000532579211 564941027 /nfs/dbraw/zinc/94/10/27/564941027.db2.gz KFKKJNJHCVUQCD-UHFFFAOYSA-N 1 2 396.245 2.644 20 5 GFBDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000532579211 564941030 /nfs/dbraw/zinc/94/10/30/564941030.db2.gz KFKKJNJHCVUQCD-UHFFFAOYSA-N 1 2 396.245 2.644 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000536706050 565045632 /nfs/dbraw/zinc/04/56/32/565045632.db2.gz CMRBXSDDWUPESO-UHFFFAOYSA-N 1 2 378.435 2.858 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587062475 565121434 /nfs/dbraw/zinc/12/14/34/565121434.db2.gz WHAFBEGQMFBYJB-LLVKDONJSA-N 1 2 379.214 2.607 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000589252199 565157076 /nfs/dbraw/zinc/15/70/76/565157076.db2.gz ILWMXCBAXMATCF-LBPRGKRZSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000589252199 565157079 /nfs/dbraw/zinc/15/70/79/565157079.db2.gz ILWMXCBAXMATCF-LBPRGKRZSA-N 1 2 376.194 2.546 20 5 GFBDLO COC[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255099 565157448 /nfs/dbraw/zinc/15/74/48/565157448.db2.gz GOZKABPUWBNJRQ-LBPRGKRZSA-N 1 2 376.194 2.810 20 5 GFBDLO COC[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255099 565157453 /nfs/dbraw/zinc/15/74/53/565157453.db2.gz GOZKABPUWBNJRQ-LBPRGKRZSA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595861339 565494996 /nfs/dbraw/zinc/49/49/96/565494996.db2.gz TYPFWNMWVJSNAN-IINYFYTJSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595861339 565495000 /nfs/dbraw/zinc/49/50/00/565495000.db2.gz TYPFWNMWVJSNAN-IINYFYTJSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599674800 565696488 /nfs/dbraw/zinc/69/64/88/565696488.db2.gz IYWDWHZYNFVUDA-GHMZBOCLSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599674800 565696489 /nfs/dbraw/zinc/69/64/89/565696489.db2.gz IYWDWHZYNFVUDA-GHMZBOCLSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000602765431 565867896 /nfs/dbraw/zinc/86/78/96/565867896.db2.gz LMIWLORHTQXSAQ-UHFFFAOYSA-N 1 2 385.255 2.624 20 5 GFBDLO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581735 607162465 /nfs/dbraw/zinc/16/24/65/607162465.db2.gz UHKOYCMSHPMJOV-CYBMUJFWSA-N 1 2 388.819 2.538 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000129193723 654859749 /nfs/dbraw/zinc/85/97/49/654859749.db2.gz OJXCXIPCGBOXDJ-UHFFFAOYSA-N 1 2 378.435 2.858 20 5 GFBDLO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Cn1cc[nH+]c1 ZINC000267911626 654951776 /nfs/dbraw/zinc/95/17/76/654951776.db2.gz DXKLDFCCLOJVNO-VIFPVBQESA-N 1 2 385.193 2.759 20 5 GFBDLO COc1cc(CSCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000270552433 655048655 /nfs/dbraw/zinc/04/86/55/655048655.db2.gz HUPOZUQQSZYQEZ-UHFFFAOYSA-N 1 2 378.397 2.770 20 5 GFBDLO C[N@H+](C[C@@H]1CCCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413213 658815364 /nfs/dbraw/zinc/81/53/64/658815364.db2.gz CWHLLMHYDOFFKL-LBPRGKRZSA-N 1 2 398.257 2.772 20 5 GFBDLO C[N@@H+](C[C@@H]1CCCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413213 658815366 /nfs/dbraw/zinc/81/53/66/658815366.db2.gz CWHLLMHYDOFFKL-LBPRGKRZSA-N 1 2 398.257 2.772 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl ZINC000808770307 659905035 /nfs/dbraw/zinc/90/50/35/659905035.db2.gz ONNIAEQRANSAHC-CYBMUJFWSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl ZINC000808770307 659905042 /nfs/dbraw/zinc/90/50/42/659905042.db2.gz ONNIAEQRANSAHC-CYBMUJFWSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000815023761 660103109 /nfs/dbraw/zinc/10/31/09/660103109.db2.gz HIATVGVBAZIWKG-SECBINFHSA-N 1 2 388.808 2.679 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653030 661869496 /nfs/dbraw/zinc/86/94/96/661869496.db2.gz JMWZOKZJTIQZCS-GFCCVEGCSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653030 661869497 /nfs/dbraw/zinc/86/94/97/661869497.db2.gz JMWZOKZJTIQZCS-GFCCVEGCSA-N 1 2 385.262 2.545 20 5 GFBDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866630589 662485646 /nfs/dbraw/zinc/48/56/46/662485646.db2.gz SWRYKWDSNDIYLU-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO Cc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1[N+](=O)[O-] ZINC000895458000 663515388 /nfs/dbraw/zinc/51/53/88/663515388.db2.gz LLQDUPNVEZTRJP-UHFFFAOYSA-N 1 2 386.193 2.531 20 5 GFBDLO CC(C)(CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000912613744 664294757 /nfs/dbraw/zinc/29/47/57/664294757.db2.gz AGPAENKZJGDZMZ-UHFFFAOYSA-N 1 2 381.230 2.648 20 5 GFBDLO O=C1N[C@H](C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CO1 ZINC000932771587 664836621 /nfs/dbraw/zinc/83/66/21/664836621.db2.gz VOTUZABZIVNLSK-ZDUSSCGKSA-N 1 2 384.230 2.678 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152422103 551432670 /nfs/dbraw/zinc/43/26/70/551432670.db2.gz HTIGPBQUPWYWEU-ZDUSSCGKSA-N 1 2 391.225 2.761 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Br ZINC000161264171 551592163 /nfs/dbraw/zinc/59/21/63/551592163.db2.gz HZLWQJDLVIQHCR-NSHDSACASA-N 1 2 391.225 2.761 20 5 GFBDLO C[C@H]([C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000182641021 552289683 /nfs/dbraw/zinc/28/96/83/552289683.db2.gz AOZVSNKQUCRJHR-NWDGAFQWSA-N 1 2 387.889 2.566 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301715371 563410780 /nfs/dbraw/zinc/41/07/80/563410780.db2.gz ZYVNXJBOMQURNW-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301944932 563416681 /nfs/dbraw/zinc/41/66/81/563416681.db2.gz ZUUJYYPVSHKMNM-GFCCVEGCSA-N 1 2 375.516 2.982 20 5 GFBDLO CC(C)C[N@H+]1CCCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301944932 563416683 /nfs/dbraw/zinc/41/66/83/563416683.db2.gz ZUUJYYPVSHKMNM-GFCCVEGCSA-N 1 2 375.516 2.982 20 5 GFBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452207 563423116 /nfs/dbraw/zinc/42/31/16/563423116.db2.gz YYEXBARLEDFDAR-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452207 563423119 /nfs/dbraw/zinc/42/31/19/563423119.db2.gz YYEXBARLEDFDAR-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000431079764 563552868 /nfs/dbraw/zinc/55/28/68/563552868.db2.gz ZRZAJFDWTMFKLL-NXEZZACHSA-N 1 2 394.229 2.825 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000365378042 563781765 /nfs/dbraw/zinc/78/17/65/563781765.db2.gz JMDYDPXBODTNFV-SNVBAGLBSA-N 1 2 379.214 2.721 20 5 GFBDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352716 565467694 /nfs/dbraw/zinc/46/76/94/565467694.db2.gz BZFSWTNZKCOPMN-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352716 565467699 /nfs/dbraw/zinc/46/76/99/565467699.db2.gz BZFSWTNZKCOPMN-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595846230 565493713 /nfs/dbraw/zinc/49/37/13/565493713.db2.gz XUICHKXTROACFF-OAHLLOKOSA-N 1 2 378.226 2.966 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595846230 565493717 /nfs/dbraw/zinc/49/37/17/565493717.db2.gz XUICHKXTROACFF-OAHLLOKOSA-N 1 2 378.226 2.966 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253510 565773147 /nfs/dbraw/zinc/77/31/47/565773147.db2.gz SPJNOCJWORBCFZ-UHFFFAOYSA-N 1 2 392.257 2.512 20 5 GFBDLO CN1CCC2(CC[NH+](Cc3cc(Br)c([N+](=O)[O-])s3)CC2)C1=O ZINC000602635858 565859214 /nfs/dbraw/zinc/85/92/14/565859214.db2.gz CJCMQLILSNKPCT-UHFFFAOYSA-N 1 2 388.287 2.863 20 5 GFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000823634458 606161104 /nfs/dbraw/zinc/16/11/04/606161104.db2.gz GDQKTIAYDVHZKD-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000765739170 656149813 /nfs/dbraw/zinc/14/98/13/656149813.db2.gz QFMNZQWEUNWDPE-RYUDHWBXSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000765739170 656149816 /nfs/dbraw/zinc/14/98/16/656149816.db2.gz QFMNZQWEUNWDPE-RYUDHWBXSA-N 1 2 375.878 2.660 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000768936351 656261224 /nfs/dbraw/zinc/26/12/24/656261224.db2.gz CAEHTTXQTLHCQQ-CYBMUJFWSA-N 1 2 384.274 2.654 20 5 GFBDLO CN(C)C(=O)CC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000772116619 656372652 /nfs/dbraw/zinc/37/26/52/656372652.db2.gz UXXKYGOBMMKMOF-UHFFFAOYSA-N 1 2 375.256 2.502 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000779917790 656964249 /nfs/dbraw/zinc/96/42/49/656964249.db2.gz NGYUDXIXVAPCSD-RYUDHWBXSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000779917790 656964260 /nfs/dbraw/zinc/96/42/60/656964260.db2.gz NGYUDXIXVAPCSD-RYUDHWBXSA-N 1 2 375.878 2.660 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000786974161 657499850 /nfs/dbraw/zinc/49/98/50/657499850.db2.gz BEKZZAPLMRNWIT-UHFFFAOYSA-N 1 2 384.776 2.514 20 5 GFBDLO C[NH+](C)[C@H]1CCOc2c(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000788490492 657729336 /nfs/dbraw/zinc/72/93/36/657729336.db2.gz HQJUHPNKIZAQGV-ZDUSSCGKSA-N 1 2 383.451 2.842 20 5 GFBDLO CO[C@@]1(C)CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795459089 658822661 /nfs/dbraw/zinc/82/26/61/658822661.db2.gz ZZCKUTQTCUWVFQ-INIZCTEOSA-N 1 2 398.257 2.772 20 5 GFBDLO CO[C@@]1(C)CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795459089 658822665 /nfs/dbraw/zinc/82/26/65/658822665.db2.gz ZZCKUTQTCUWVFQ-INIZCTEOSA-N 1 2 398.257 2.772 20 5 GFBDLO Cc1cc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000796385352 658914959 /nfs/dbraw/zinc/91/49/59/658914959.db2.gz SCHBTYOECJMVQJ-UHFFFAOYSA-N 1 2 379.214 2.558 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000809829968 659946006 /nfs/dbraw/zinc/94/60/06/659946006.db2.gz PIFLBZWGEXTBGP-UHFFFAOYSA-N 1 2 393.252 2.857 20 5 GFBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830306 659946154 /nfs/dbraw/zinc/94/61/54/659946154.db2.gz VMJICQMSAUJQJO-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830306 659946157 /nfs/dbraw/zinc/94/61/57/659946157.db2.gz VMJICQMSAUJQJO-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO Cn1cc(C[NH+]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cn1 ZINC000809945589 659952867 /nfs/dbraw/zinc/95/28/67/659952867.db2.gz VMCCSXHAJSNVFE-UHFFFAOYSA-N 1 2 384.267 2.953 20 5 GFBDLO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035618 660105373 /nfs/dbraw/zinc/10/53/73/660105373.db2.gz NPWYUPRJILRXHG-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000815069559 660109175 /nfs/dbraw/zinc/10/91/75/660109175.db2.gz IARXFXRFYQZGKI-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000815069559 660109179 /nfs/dbraw/zinc/10/91/79/660109179.db2.gz IARXFXRFYQZGKI-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000146713631 551397162 /nfs/dbraw/zinc/39/71/62/551397162.db2.gz ZGEWNLXSJBJXNP-CYBMUJFWSA-N 1 2 389.886 2.891 20 5 GFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000183404212 552308528 /nfs/dbraw/zinc/30/85/28/552308528.db2.gz LXRGSOHNAAYLQF-UHFFFAOYSA-N 1 2 375.328 2.889 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206978 552381804 /nfs/dbraw/zinc/38/18/04/552381804.db2.gz ONBVESKLBMJMIU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206978 552381806 /nfs/dbraw/zinc/38/18/06/552381806.db2.gz ONBVESKLBMJMIU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000431079765 563552997 /nfs/dbraw/zinc/55/29/97/563552997.db2.gz ZRZAJFDWTMFKLL-UWVGGRQHSA-N 1 2 394.229 2.825 20 5 GFBDLO CC1(C)C[N@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000291477276 563744522 /nfs/dbraw/zinc/74/45/22/563744522.db2.gz KAHHIVALFZRMNY-UHFFFAOYSA-N 1 2 376.240 2.742 20 5 GFBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000291477276 563744525 /nfs/dbraw/zinc/74/45/25/563744525.db2.gz KAHHIVALFZRMNY-UHFFFAOYSA-N 1 2 376.240 2.742 20 5 GFBDLO CCn1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000414489758 563744608 /nfs/dbraw/zinc/74/46/08/563744608.db2.gz ZBTIZKAKLQLATF-UHFFFAOYSA-N 1 2 386.193 2.706 20 5 GFBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000291606249 563750033 /nfs/dbraw/zinc/75/00/33/563750033.db2.gz XSPSERHFSXZHRD-NXEZZACHSA-N 1 2 376.240 2.741 20 5 GFBDLO Cn1cc(C[NH2+]Cc2n[nH]cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538414924 564189687 /nfs/dbraw/zinc/18/96/87/564189687.db2.gz QAZLTOJUTDBNCH-UHFFFAOYSA-N 1 2 391.229 2.771 20 5 GFBDLO Cc1c(Br)c(=O)n(Cc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000543149049 564340003 /nfs/dbraw/zinc/34/00/03/564340003.db2.gz VDAPIBURYQIJGN-UHFFFAOYSA-N 1 2 377.198 2.762 20 5 GFBDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000479491609 564442364 /nfs/dbraw/zinc/44/23/64/564442364.db2.gz UCJLOWHGENRCBQ-OAHLLOKOSA-N 1 2 378.226 2.982 20 5 GFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000483851854 564576359 /nfs/dbraw/zinc/57/63/59/564576359.db2.gz BDSUSBNOFYJKPU-UHFFFAOYSA-N 1 2 375.182 2.935 20 5 GFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000579650265 564749958 /nfs/dbraw/zinc/74/99/58/564749958.db2.gz YNGMQMGXERGNAP-SSDOTTSWSA-N 1 2 388.165 2.742 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000497936136 564880419 /nfs/dbraw/zinc/88/04/19/564880419.db2.gz QZAKZMJNNSFICG-MNOVXSKESA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000497936136 564880424 /nfs/dbraw/zinc/88/04/24/564880424.db2.gz QZAKZMJNNSFICG-MNOVXSKESA-N 1 2 375.878 2.660 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182076 564952377 /nfs/dbraw/zinc/95/23/77/564952377.db2.gz CFMPZKMXFGQDMO-HUUCEWRRSA-N 1 2 398.257 2.939 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182076 564952379 /nfs/dbraw/zinc/95/23/79/564952379.db2.gz CFMPZKMXFGQDMO-HUUCEWRRSA-N 1 2 398.257 2.939 20 5 GFBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000467401768 564962849 /nfs/dbraw/zinc/96/28/49/564962849.db2.gz PBMYEIWXFMBWFZ-UHFFFAOYSA-N 1 2 385.467 2.806 20 5 GFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000561123236 564985052 /nfs/dbraw/zinc/98/50/52/564985052.db2.gz GNWFBECYMHNGPV-OAHLLOKOSA-N 1 2 393.241 2.901 20 5 GFBDLO CN(CC[NH+]1CCCCC1)c1c(I)cncc1[N+](=O)[O-] ZINC000593515985 565336881 /nfs/dbraw/zinc/33/68/81/565336881.db2.gz VSQDFZXTFZTUHL-UHFFFAOYSA-N 1 2 390.225 2.517 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000602483334 565851524 /nfs/dbraw/zinc/85/15/24/565851524.db2.gz GGVZYDWMUWBOBZ-SNVBAGLBSA-N 1 2 386.275 2.923 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000602483334 565851528 /nfs/dbraw/zinc/85/15/28/565851528.db2.gz GGVZYDWMUWBOBZ-SNVBAGLBSA-N 1 2 386.275 2.923 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610667265 566092520 /nfs/dbraw/zinc/09/25/20/566092520.db2.gz CGLXKRZMGRUTJM-UHFFFAOYSA-N 1 2 392.209 2.585 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839670131 661099199 /nfs/dbraw/zinc/09/91/99/661099199.db2.gz FHPWXZHGZIVZCL-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839670131 661099203 /nfs/dbraw/zinc/09/92/03/661099203.db2.gz FHPWXZHGZIVZCL-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829801 658855801 /nfs/dbraw/zinc/85/58/01/658855801.db2.gz PKKVSFPCYSFNLH-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829801 658855807 /nfs/dbraw/zinc/85/58/07/658855807.db2.gz PKKVSFPCYSFNLH-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ncc1Br ZINC000798289760 659092473 /nfs/dbraw/zinc/09/24/73/659092473.db2.gz SACFHXROCIQNMZ-UHFFFAOYSA-N 1 2 394.229 2.769 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCNc2cccc[nH+]2)c1Cl ZINC000809395095 659926517 /nfs/dbraw/zinc/92/65/17/659926517.db2.gz HTZXNETZZAGZBQ-UHFFFAOYSA-N 1 2 391.236 2.687 20 5 GFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701190 659936418 /nfs/dbraw/zinc/93/64/18/659936418.db2.gz VHTNSRLHDPUHFS-QWHCGFSZSA-N 1 2 384.274 2.652 20 5 GFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000813369331 660052182 /nfs/dbraw/zinc/05/21/82/660052182.db2.gz ZDKCQXCRIKVIRS-LBPRGKRZSA-N 1 2 388.251 2.838 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848508117 661658509 /nfs/dbraw/zinc/65/85/09/661658509.db2.gz HTQZZODFDTWYBR-OLZOCXBDSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848508117 661658510 /nfs/dbraw/zinc/65/85/10/661658510.db2.gz HTQZZODFDTWYBR-OLZOCXBDSA-N 1 2 391.852 2.683 20 5 GFBDLO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000892101590 663361611 /nfs/dbraw/zinc/36/16/11/663361611.db2.gz OIERJFZWSJFPIB-XJKSGUPXSA-N 1 2 382.258 2.526 20 5 GFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165011674 721700493 /nfs/dbraw/zinc/70/04/93/721700493.db2.gz VHJOBFYXMZTFCB-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165011674 721700500 /nfs/dbraw/zinc/70/05/00/721700500.db2.gz VHJOBFYXMZTFCB-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@H]1CCCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120344156 551219469 /nfs/dbraw/zinc/21/94/69/551219469.db2.gz WMMNZHCBIKFFJJ-LLVKDONJSA-N 1 2 386.246 2.533 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@H]1CCCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120344156 551219470 /nfs/dbraw/zinc/21/94/70/551219470.db2.gz WMMNZHCBIKFFJJ-LLVKDONJSA-N 1 2 386.246 2.533 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151252242 551410124 /nfs/dbraw/zinc/41/01/24/551410124.db2.gz ZNEMZDRAYBDLQK-RISCZKNCSA-N 1 2 384.845 2.717 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])sc2C1 ZINC000171147026 551648538 /nfs/dbraw/zinc/64/85/38/551648538.db2.gz PUXZGDRQCRKLEE-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])sc2C1 ZINC000171147026 551648541 /nfs/dbraw/zinc/64/85/41/551648541.db2.gz PUXZGDRQCRKLEE-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635661 552476310 /nfs/dbraw/zinc/47/63/10/552476310.db2.gz QERYRRFADQMFIB-HNNXBMFYSA-N 1 2 386.246 2.533 20 5 GFBDLO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635661 552476311 /nfs/dbraw/zinc/47/63/11/552476311.db2.gz QERYRRFADQMFIB-HNNXBMFYSA-N 1 2 386.246 2.533 20 5 GFBDLO CC[C@H](C)[NH+]1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000419004741 563232490 /nfs/dbraw/zinc/23/24/90/563232490.db2.gz YQOVZWXLNIZLJG-JTQLQIEISA-N 1 2 390.225 2.515 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374384304 563370305 /nfs/dbraw/zinc/37/03/05/563370305.db2.gz AVKKGIZTZXCLLK-OAHLLOKOSA-N 1 2 391.225 2.539 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000332334668 563593604 /nfs/dbraw/zinc/59/36/04/563593604.db2.gz QUXMSNFYNCDOQX-UHFFFAOYSA-N 1 2 384.845 2.568 20 5 GFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292211092 563778676 /nfs/dbraw/zinc/77/86/76/563778676.db2.gz HYXDZCUHVBIDFT-PWSUYJOCSA-N 1 2 388.251 2.837 20 5 GFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447018140 563872542 /nfs/dbraw/zinc/87/25/42/563872542.db2.gz RSNBQPIBPRZLGJ-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1COC1 ZINC000449348975 564181744 /nfs/dbraw/zinc/18/17/44/564181744.db2.gz DORHQEMBPMTXOX-UHFFFAOYSA-N 1 2 376.194 2.809 20 5 GFBDLO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1COC1 ZINC000449348975 564181746 /nfs/dbraw/zinc/18/17/46/564181746.db2.gz DORHQEMBPMTXOX-UHFFFAOYSA-N 1 2 376.194 2.809 20 5 GFBDLO COc1cc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])[nH+]cc1Br ZINC000539555479 564222617 /nfs/dbraw/zinc/22/26/17/564222617.db2.gz HYLDKLCAGUHBHD-UHFFFAOYSA-N 1 2 398.213 2.812 20 5 GFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cn1 ZINC000511108924 564357936 /nfs/dbraw/zinc/35/79/36/564357936.db2.gz NQBJVFQKECZLCN-UHFFFAOYSA-N 1 2 393.241 2.865 20 5 GFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cn1 ZINC000511108924 564357940 /nfs/dbraw/zinc/35/79/40/564357940.db2.gz NQBJVFQKECZLCN-UHFFFAOYSA-N 1 2 393.241 2.865 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000543978520 564370371 /nfs/dbraw/zinc/37/03/71/564370371.db2.gz RJDBREMBNGEYSA-UHFFFAOYSA-N 1 2 384.483 2.734 20 5 GFBDLO C[C@H]([NH2+]Cc1nn(C)cc1I)c1ccc([N+](=O)[O-])cc1 ZINC000453390486 564456173 /nfs/dbraw/zinc/45/61/73/564456173.db2.gz XYUACIBVXJGMIB-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456377641 564604492 /nfs/dbraw/zinc/60/44/92/564604492.db2.gz LZDIYWIFXZDNSX-VIFPVBQESA-N 1 2 376.276 2.975 20 5 GFBDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456377641 564604494 /nfs/dbraw/zinc/60/44/94/564604494.db2.gz LZDIYWIFXZDNSX-VIFPVBQESA-N 1 2 376.276 2.975 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000521865907 564637928 /nfs/dbraw/zinc/63/79/28/564637928.db2.gz MQVQNIMVVFZJBJ-AWEZNQCLSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000521865907 564637933 /nfs/dbraw/zinc/63/79/33/564637933.db2.gz MQVQNIMVVFZJBJ-AWEZNQCLSA-N 1 2 382.258 2.944 20 5 GFBDLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000501190896 564973352 /nfs/dbraw/zinc/97/33/52/564973352.db2.gz DUZXEYZBYNJGHR-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000501190896 564973355 /nfs/dbraw/zinc/97/33/55/564973355.db2.gz DUZXEYZBYNJGHR-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188877 565318755 /nfs/dbraw/zinc/31/87/55/565318755.db2.gz DQSDBZBNYNGTQN-IWSPIJDZSA-N 1 2 376.276 2.972 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188877 565318759 /nfs/dbraw/zinc/31/87/59/565318759.db2.gz DQSDBZBNYNGTQN-IWSPIJDZSA-N 1 2 376.276 2.972 20 5 GFBDLO O=[N+]([O-])c1sc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000602431942 565847707 /nfs/dbraw/zinc/84/77/07/565847707.db2.gz GWJJHBLLQDYROP-NSHDSACASA-N 1 2 390.303 2.715 20 5 GFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770441 608069503 /nfs/dbraw/zinc/06/95/03/608069503.db2.gz KMSOZZCDCCGXMA-FZKQIMNGSA-N 1 2 380.408 2.909 20 5 GFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770441 608069504 /nfs/dbraw/zinc/06/95/04/608069504.db2.gz KMSOZZCDCCGXMA-FZKQIMNGSA-N 1 2 380.408 2.909 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827545040 660501666 /nfs/dbraw/zinc/50/16/66/660501666.db2.gz RNBMIKNEOSMXKY-NSHDSACASA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827545040 660501670 /nfs/dbraw/zinc/50/16/70/660501670.db2.gz RNBMIKNEOSMXKY-NSHDSACASA-N 1 2 385.262 2.545 20 5 GFBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000832415679 660778594 /nfs/dbraw/zinc/77/85/94/660778594.db2.gz UBROHPCAPOPFFX-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000832415679 660778597 /nfs/dbraw/zinc/77/85/97/660778597.db2.gz UBROHPCAPOPFFX-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146428 654757305 /nfs/dbraw/zinc/75/73/05/654757305.db2.gz UGOMRRFNMCNNGX-UHFFFAOYSA-N 1 2 381.479 2.599 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000750880778 655818402 /nfs/dbraw/zinc/81/84/02/655818402.db2.gz XCMIVKNTCJGDBZ-UHFFFAOYSA-N 1 2 385.605 2.904 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000752247404 655841398 /nfs/dbraw/zinc/84/13/98/655841398.db2.gz PYBDDXIHQHGASQ-LBPRGKRZSA-N 1 2 384.845 2.779 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000753594427 655856331 /nfs/dbraw/zinc/85/63/31/655856331.db2.gz CFOOCUSKJVSYKY-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000753594427 655856332 /nfs/dbraw/zinc/85/63/32/655856332.db2.gz CFOOCUSKJVSYKY-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO C[C@]12CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(Cl)Cl ZINC000792905988 658328712 /nfs/dbraw/zinc/32/87/12/658328712.db2.gz NGZNDTPYNZTCAG-ZBFHGGJFSA-N 1 2 384.263 3.000 20 5 GFBDLO C[C@]12CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(Cl)Cl ZINC000792905988 658328726 /nfs/dbraw/zinc/32/87/26/658328726.db2.gz NGZNDTPYNZTCAG-ZBFHGGJFSA-N 1 2 384.263 3.000 20 5 GFBDLO CCOC[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795441266 658819222 /nfs/dbraw/zinc/81/92/22/658819222.db2.gz XGKUJBJMLOXIJF-LLVKDONJSA-N 1 2 398.257 2.629 20 5 GFBDLO CCOC[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795441266 658819228 /nfs/dbraw/zinc/81/92/28/658819228.db2.gz XGKUJBJMLOXIJF-LLVKDONJSA-N 1 2 398.257 2.629 20 5 GFBDLO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227360 659086247 /nfs/dbraw/zinc/08/62/47/659086247.db2.gz OPARASIMMGOREA-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000814977630 660099706 /nfs/dbraw/zinc/09/97/06/660099706.db2.gz VYWIPPVGAOZXPL-LBPRGKRZSA-N 1 2 391.808 2.562 20 5 GFBDLO Cc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1[N+](=O)[O-] ZINC000865868808 662448650 /nfs/dbraw/zinc/44/86/50/662448650.db2.gz YFSQGOXICJKNKK-UHFFFAOYSA-N 1 2 386.193 2.531 20 5 GFBDLO O=C1NCCC2(CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)O1 ZINC000932757946 664834788 /nfs/dbraw/zinc/83/47/88/664834788.db2.gz FEUPSEWESXQMSK-UHFFFAOYSA-N 1 2 384.230 2.822 20 5 GFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045806606 551148316 /nfs/dbraw/zinc/14/83/16/551148316.db2.gz SJXSGYXROYJDKH-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703216 551438319 /nfs/dbraw/zinc/43/83/19/551438319.db2.gz FYJAVSUGFJQHES-WDEREUQCSA-N 1 2 386.246 2.531 20 5 GFBDLO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703216 551438321 /nfs/dbraw/zinc/43/83/21/551438321.db2.gz FYJAVSUGFJQHES-WDEREUQCSA-N 1 2 386.246 2.531 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 ZINC000171146913 551648591 /nfs/dbraw/zinc/64/85/91/551648591.db2.gz ZQPBBXANNHWLMG-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 ZINC000171146913 551648592 /nfs/dbraw/zinc/64/85/92/551648592.db2.gz ZQPBBXANNHWLMG-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO Cc1[nH+]c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371338280 563273376 /nfs/dbraw/zinc/27/33/76/563273376.db2.gz ABRRYDWNGDDETJ-UHFFFAOYSA-N 1 2 384.845 2.568 20 5 GFBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000374435488 563372712 /nfs/dbraw/zinc/37/27/12/563372712.db2.gz JHTLYSREAZJKCQ-LLVKDONJSA-N 1 2 384.845 2.609 20 5 GFBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccc(Cl)s4)CC3)nn21 ZINC000301831198 563413016 /nfs/dbraw/zinc/41/30/16/563413016.db2.gz IDEHILAORYLDEF-UHFFFAOYSA-N 1 2 378.845 2.675 20 5 GFBDLO CC1CCC([NH+]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000301931931 563416356 /nfs/dbraw/zinc/41/63/56/563416356.db2.gz MFSKCRDABVXHMX-UHFFFAOYSA-N 1 2 387.527 2.761 20 5 GFBDLO O=C1CCCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425396279 563420788 /nfs/dbraw/zinc/42/07/88/563420788.db2.gz PIPZGTAKTPPDBZ-UHFFFAOYSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1N=NC(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)O1 ZINC000425450368 563422928 /nfs/dbraw/zinc/42/29/28/563422928.db2.gz YHERJUCDVSRZLL-UHFFFAOYSA-N 1 2 383.202 2.826 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000284459339 563476128 /nfs/dbraw/zinc/47/61/28/563476128.db2.gz WLAFZJLAKUHSEZ-JTQLQIEISA-N 1 2 381.230 2.928 20 5 GFBDLO O=C(NC1CC1)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000367418146 563843525 /nfs/dbraw/zinc/84/35/25/563843525.db2.gz FIABAFRGZMXBCZ-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC(=O)N1 ZINC000449525447 564189875 /nfs/dbraw/zinc/18/98/75/564189875.db2.gz SECWGCPFLWJAJB-SNVBAGLBSA-N 1 2 394.225 2.938 20 5 GFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC(=O)N1 ZINC000449525447 564189880 /nfs/dbraw/zinc/18/98/80/564189880.db2.gz SECWGCPFLWJAJB-SNVBAGLBSA-N 1 2 394.225 2.938 20 5 GFBDLO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451204788 564286240 /nfs/dbraw/zinc/28/62/40/564286240.db2.gz YLIKOGCFPXJDFH-HNNXBMFYSA-N 1 2 386.246 2.654 20 5 GFBDLO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451204788 564286242 /nfs/dbraw/zinc/28/62/42/564286242.db2.gz YLIKOGCFPXJDFH-HNNXBMFYSA-N 1 2 386.246 2.654 20 5 GFBDLO CC(C)(C)c1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000567378205 564369272 /nfs/dbraw/zinc/36/92/72/564369272.db2.gz SERHDZITQXDSGH-UHFFFAOYSA-N 1 2 383.495 2.912 20 5 GFBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173413 564452027 /nfs/dbraw/zinc/45/20/27/564452027.db2.gz RSGVBKUUWBEIML-QMTHXVAHSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173413 564452032 /nfs/dbraw/zinc/45/20/32/564452032.db2.gz RSGVBKUUWBEIML-QMTHXVAHSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456437971 564607790 /nfs/dbraw/zinc/60/77/90/564607790.db2.gz XHLYRDGTXLYABW-TVQRCGJNSA-N 1 2 379.214 2.919 20 5 GFBDLO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307555 564698553 /nfs/dbraw/zinc/69/85/53/564698553.db2.gz VWMCLNHSPSYPNT-VIFPVBQESA-N 1 2 382.269 2.522 20 5 GFBDLO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307555 564698555 /nfs/dbraw/zinc/69/85/55/564698555.db2.gz VWMCLNHSPSYPNT-VIFPVBQESA-N 1 2 382.269 2.522 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC(CCO)CC2)c1 ZINC000577325857 564734415 /nfs/dbraw/zinc/73/44/15/564734415.db2.gz DXGUMCBPBKYSJT-UHFFFAOYSA-N 1 2 390.221 2.794 20 5 GFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580305140 564755484 /nfs/dbraw/zinc/75/54/84/564755484.db2.gz PXHLFZFKXLMATG-UHFFFAOYSA-N 1 2 375.173 2.964 20 5 GFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580305140 564755487 /nfs/dbraw/zinc/75/54/87/564755487.db2.gz PXHLFZFKXLMATG-UHFFFAOYSA-N 1 2 375.173 2.964 20 5 GFBDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410076 564890467 /nfs/dbraw/zinc/89/04/67/564890467.db2.gz SBCMVKUOVSNVNU-ZYHUDNBSSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410076 564890471 /nfs/dbraw/zinc/89/04/71/564890471.db2.gz SBCMVKUOVSNVNU-ZYHUDNBSSA-N 1 2 390.221 2.792 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000535266624 565009544 /nfs/dbraw/zinc/00/95/44/565009544.db2.gz YPTRABFBWZGDJX-AWEZNQCLSA-N 1 2 381.841 2.713 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000535266624 565009545 /nfs/dbraw/zinc/00/95/45/565009545.db2.gz YPTRABFBWZGDJX-AWEZNQCLSA-N 1 2 381.841 2.713 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950329 565651552 /nfs/dbraw/zinc/65/15/52/565651552.db2.gz QQRVOSDHKINVIA-SNVBAGLBSA-N 1 2 379.214 2.607 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610667814 566092775 /nfs/dbraw/zinc/09/27/75/566092775.db2.gz ABTHJKQTBDHKQK-CQSZACIVSA-N 1 2 393.241 2.960 20 5 GFBDLO Cc1c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000737211687 598256410 /nfs/dbraw/zinc/25/64/10/598256410.db2.gz NWJYJZNJINVBQH-UHFFFAOYSA-N 1 2 397.414 2.545 20 5 GFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000824673403 660399235 /nfs/dbraw/zinc/39/92/35/660399235.db2.gz SGAPHUGRMQANGZ-CQSZACIVSA-N 1 2 397.273 2.940 20 5 GFBDLO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Cn1cc[nH+]c1 ZINC000267911625 654951760 /nfs/dbraw/zinc/95/17/60/654951760.db2.gz DXKLDFCCLOJVNO-SECBINFHSA-N 1 2 385.193 2.759 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268019732 654956054 /nfs/dbraw/zinc/95/60/54/654956054.db2.gz BIZJMLJGSAIOQW-LLVKDONJSA-N 1 2 384.845 2.848 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000176635357 655251486 /nfs/dbraw/zinc/25/14/86/655251486.db2.gz RHTGAQAXZHDJHO-CYBMUJFWSA-N 1 2 387.845 2.731 20 5 GFBDLO COC[C@]1(C)CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840103963 661133330 /nfs/dbraw/zinc/13/33/30/661133330.db2.gz IQIMJKSRRRJOGL-MRXNPFEDSA-N 1 2 398.257 2.629 20 5 GFBDLO COC[C@]1(C)CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840103963 661133336 /nfs/dbraw/zinc/13/33/36/661133336.db2.gz IQIMJKSRRRJOGL-MRXNPFEDSA-N 1 2 398.257 2.629 20 5 GFBDLO Cc1cc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000766578531 656176957 /nfs/dbraw/zinc/17/69/57/656176957.db2.gz OOARBEINDKSQNK-UHFFFAOYSA-N 1 2 397.172 2.885 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779444952 656926650 /nfs/dbraw/zinc/92/66/50/656926650.db2.gz ZLXMBUYCUFGFPV-JTQLQIEISA-N 1 2 380.202 2.690 20 5 GFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726799 663261279 /nfs/dbraw/zinc/26/12/79/663261279.db2.gz YDQWKFLKFBTFKL-UHFFFAOYSA-N 1 2 396.245 2.786 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000930367958 664768444 /nfs/dbraw/zinc/76/84/44/664768444.db2.gz QOQGZXJBRBMMOM-GDLVEWKHSA-N 1 2 383.242 2.519 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000930367958 664768446 /nfs/dbraw/zinc/76/84/46/664768446.db2.gz QOQGZXJBRBMMOM-GDLVEWKHSA-N 1 2 383.242 2.519 20 5 GFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164917195 721812290 /nfs/dbraw/zinc/81/22/90/721812290.db2.gz LBCPJUMXTOOHPX-UHFFFAOYSA-N 1 2 376.848 2.589 20 5 GFBDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093707688 551195926 /nfs/dbraw/zinc/19/59/26/551195926.db2.gz KLIYBEFXYGFORH-UHFFFAOYSA-N 1 2 379.276 2.612 20 5 GFBDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093707688 551195929 /nfs/dbraw/zinc/19/59/29/551195929.db2.gz KLIYBEFXYGFORH-UHFFFAOYSA-N 1 2 379.276 2.612 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000146713445 551397305 /nfs/dbraw/zinc/39/73/05/551397305.db2.gz ZGEWNLXSJBJXNP-ZDUSSCGKSA-N 1 2 389.886 2.891 20 5 GFBDLO CC[C@@H](C)[NH+]1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000419004744 563232377 /nfs/dbraw/zinc/23/23/77/563232377.db2.gz YQOVZWXLNIZLJG-SNVBAGLBSA-N 1 2 390.225 2.515 20 5 GFBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000378252281 563500336 /nfs/dbraw/zinc/50/03/36/563500336.db2.gz OCHYWYOCDYIVKM-LLVKDONJSA-N 1 2 384.845 2.609 20 5 GFBDLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286071537 563547556 /nfs/dbraw/zinc/54/75/56/563547556.db2.gz SJFRMVOOMAWLDQ-UHFFFAOYSA-N 1 2 390.824 2.651 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000545407110 564421639 /nfs/dbraw/zinc/42/16/39/564421639.db2.gz RXJCRAVSLORTRV-UHFFFAOYSA-N 1 2 390.197 2.638 20 5 GFBDLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000459792893 564760839 /nfs/dbraw/zinc/76/08/39/564760839.db2.gz KCLBOSCRCKAWRM-STQMWFEESA-N 1 2 376.463 2.847 20 5 GFBDLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000459792893 564760843 /nfs/dbraw/zinc/76/08/43/564760843.db2.gz KCLBOSCRCKAWRM-STQMWFEESA-N 1 2 376.463 2.847 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182079 564952420 /nfs/dbraw/zinc/95/24/20/564952420.db2.gz CFMPZKMXFGQDMO-LSDHHAIUSA-N 1 2 398.257 2.939 20 5 GFBDLO O=C(C[N@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182079 564952422 /nfs/dbraw/zinc/95/24/22/564952422.db2.gz CFMPZKMXFGQDMO-LSDHHAIUSA-N 1 2 398.257 2.939 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000536022788 565026958 /nfs/dbraw/zinc/02/69/58/565026958.db2.gz JQDBREAIJRIAKO-CQSZACIVSA-N 1 2 381.841 2.713 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000536022788 565026960 /nfs/dbraw/zinc/02/69/60/565026960.db2.gz JQDBREAIJRIAKO-CQSZACIVSA-N 1 2 381.841 2.713 20 5 GFBDLO O=[N+]([O-])c1cncc(I)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591364603 565227627 /nfs/dbraw/zinc/22/76/27/565227627.db2.gz CMRCBDSEDAYSQY-JTQLQIEISA-N 1 2 399.192 2.632 20 5 GFBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cscc1Cl ZINC000591505660 565232170 /nfs/dbraw/zinc/23/21/70/565232170.db2.gz XDTOZUOTTCENTR-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cscc1Cl ZINC000591505660 565232177 /nfs/dbraw/zinc/23/21/77/565232177.db2.gz XDTOZUOTTCENTR-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595765540 565491319 /nfs/dbraw/zinc/49/13/19/565491319.db2.gz JDHYFXQVORDEEM-NOZJJQNGSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595765540 565491326 /nfs/dbraw/zinc/49/13/26/565491326.db2.gz JDHYFXQVORDEEM-NOZJJQNGSA-N 1 2 376.194 2.545 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000602678046 565862887 /nfs/dbraw/zinc/86/28/87/565862887.db2.gz ARAARZLYJMGEKJ-OPQQBVKSSA-N 1 2 391.287 2.781 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000602678046 565862889 /nfs/dbraw/zinc/86/28/89/565862889.db2.gz ARAARZLYJMGEKJ-OPQQBVKSSA-N 1 2 391.287 2.781 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909004 566026609 /nfs/dbraw/zinc/02/66/09/566026609.db2.gz JWPXLITZVQDIGA-UHFFFAOYSA-N 1 2 379.785 2.630 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032944 566062160 /nfs/dbraw/zinc/06/21/60/566062160.db2.gz YAVBNEAVMWYBOF-UHFFFAOYSA-N 1 2 397.210 2.806 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000824533211 660396114 /nfs/dbraw/zinc/39/61/14/660396114.db2.gz BXSBRJVDVPPDSO-LBPRGKRZSA-N 1 2 384.177 2.631 20 5 GFBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000826902784 660471351 /nfs/dbraw/zinc/47/13/51/660471351.db2.gz LQYKGWFIMAARHS-MFKMUULPSA-N 1 2 394.229 2.672 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839493696 661087109 /nfs/dbraw/zinc/08/71/09/661087109.db2.gz ZWHHCLLPZPBITF-ZDUSSCGKSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839493696 661087112 /nfs/dbraw/zinc/08/71/12/661087112.db2.gz ZWHHCLLPZPBITF-ZDUSSCGKSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1NCCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839524804 661089858 /nfs/dbraw/zinc/08/98/58/661089858.db2.gz KYZPQOBPCZFANI-UHFFFAOYSA-N 1 2 397.273 2.737 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccn2cc[nH+]c2c1 ZINC000178386074 655302187 /nfs/dbraw/zinc/30/21/87/655302187.db2.gz XDNQTABMQBHWQY-UHFFFAOYSA-N 1 2 389.209 2.864 20 5 GFBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2I)cc[nH+]1 ZINC000791827492 658189855 /nfs/dbraw/zinc/18/98/55/658189855.db2.gz SWTFHFWBBMAEEI-UHFFFAOYSA-N 1 2 399.144 2.534 20 5 GFBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830305 659946065 /nfs/dbraw/zinc/94/60/65/659946065.db2.gz VMJICQMSAUJQJO-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830305 659946067 /nfs/dbraw/zinc/94/60/67/659946067.db2.gz VMJICQMSAUJQJO-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000815009138 660101026 /nfs/dbraw/zinc/10/10/26/660101026.db2.gz BWBOMQOYTQOSLK-SNVBAGLBSA-N 1 2 388.808 2.610 20 5 GFBDLO O=C1CC2(CCOCC2)[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1 ZINC000872284789 662759878 /nfs/dbraw/zinc/75/98/78/662759878.db2.gz RRKXAYLPHOKRSC-UHFFFAOYSA-N 1 2 388.251 2.773 20 5 GFBDLO O=C1CC2(CCOCC2)[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1 ZINC000872284789 662759881 /nfs/dbraw/zinc/75/98/81/662759881.db2.gz RRKXAYLPHOKRSC-UHFFFAOYSA-N 1 2 388.251 2.773 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1Br ZINC000903021633 663771224 /nfs/dbraw/zinc/77/12/24/663771224.db2.gz CBVGEMNZFYJNHQ-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1Br ZINC000903021633 663771225 /nfs/dbraw/zinc/77/12/25/663771225.db2.gz CBVGEMNZFYJNHQ-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H](O)CCC1(O)CCC1)CC2 ZINC000930365661 664768269 /nfs/dbraw/zinc/76/82/69/664768269.db2.gz ANDMTCHPIAPIIT-GFCCVEGCSA-N 1 2 399.285 2.772 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H](O)CCC1(O)CCC1)CC2 ZINC000930365661 664768272 /nfs/dbraw/zinc/76/82/72/664768272.db2.gz ANDMTCHPIAPIIT-GFCCVEGCSA-N 1 2 399.285 2.772 20 5 GFBDLO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000182641073 552289472 /nfs/dbraw/zinc/28/94/72/552289472.db2.gz AOZVSNKQUCRJHR-NEPJUHHUSA-N 1 2 387.889 2.566 20 5 GFBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000184533296 552337745 /nfs/dbraw/zinc/33/77/45/552337745.db2.gz RTRPKZXJNRMCGF-CYBMUJFWSA-N 1 2 398.213 2.866 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)s1 ZINC000261605945 553154046 /nfs/dbraw/zinc/15/40/46/553154046.db2.gz BBNGYRDAGBVATO-GFCCVEGCSA-N 1 2 387.870 2.645 20 5 GFBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000376907751 563458058 /nfs/dbraw/zinc/45/80/58/563458058.db2.gz AQXQSKHNFNYJKY-UHFFFAOYSA-N 1 2 384.845 2.602 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000377863819 563489620 /nfs/dbraw/zinc/48/96/20/563489620.db2.gz JUBGSQCCESPNON-JTQLQIEISA-N 1 2 388.808 2.610 20 5 GFBDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000431123673 563554372 /nfs/dbraw/zinc/55/43/72/563554372.db2.gz DMDZQXGLKGIHFI-NXEZZACHSA-N 1 2 394.229 2.825 20 5 GFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000433008802 563600125 /nfs/dbraw/zinc/60/01/25/563600125.db2.gz ZVXQHBCMPJEBCI-JTQLQIEISA-N 1 2 394.229 2.745 20 5 GFBDLO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642825 563762878 /nfs/dbraw/zinc/76/28/78/563762878.db2.gz COAXVRRMOHNTDF-NWDGAFQWSA-N 1 2 398.257 2.654 20 5 GFBDLO O=C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642825 563762881 /nfs/dbraw/zinc/76/28/81/563762881.db2.gz COAXVRRMOHNTDF-NWDGAFQWSA-N 1 2 398.257 2.654 20 5 GFBDLO C[C@H]([NH2+]Cc1nn(C)cc1I)c1cccc([N+](=O)[O-])c1 ZINC000453360247 564454947 /nfs/dbraw/zinc/45/49/47/564454947.db2.gz JWSLWSGFGWVESX-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO C[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593024 564898371 /nfs/dbraw/zinc/89/83/71/564898371.db2.gz IBZRQJZBWSKJME-YGRLFVJLSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593024 564898373 /nfs/dbraw/zinc/89/83/73/564898373.db2.gz IBZRQJZBWSKJME-YGRLFVJLSA-N 1 2 390.221 2.792 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182072 564952391 /nfs/dbraw/zinc/95/23/91/564952391.db2.gz CFMPZKMXFGQDMO-GJZGRUSLSA-N 1 2 398.257 2.939 20 5 GFBDLO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182072 564952393 /nfs/dbraw/zinc/95/23/93/564952393.db2.gz CFMPZKMXFGQDMO-GJZGRUSLSA-N 1 2 398.257 2.939 20 5 GFBDLO COCCC1C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597182949 565554102 /nfs/dbraw/zinc/55/41/02/565554102.db2.gz FXOQBGZZGPZABO-UHFFFAOYSA-N 1 2 376.194 2.668 20 5 GFBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC000601342207 565777367 /nfs/dbraw/zinc/77/73/67/565777367.db2.gz TYVZVANOQQUURT-VIFPVBQESA-N 1 2 385.442 2.791 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1Br ZINC000602483331 565851338 /nfs/dbraw/zinc/85/13/38/565851338.db2.gz GGVZYDWMUWBOBZ-JTQLQIEISA-N 1 2 386.275 2.923 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cc1Br ZINC000602483331 565851341 /nfs/dbraw/zinc/85/13/41/565851341.db2.gz GGVZYDWMUWBOBZ-JTQLQIEISA-N 1 2 386.275 2.923 20 5 GFBDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634246 608469263 /nfs/dbraw/zinc/46/92/63/608469263.db2.gz UIFGYGHPNXHYHT-NSHDSACASA-N 1 2 392.379 2.676 20 5 GFBDLO CC[C@H](C)[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000829244298 660586220 /nfs/dbraw/zinc/58/62/20/660586220.db2.gz VOKGDMLYRDHMSA-NSHDSACASA-N 1 2 377.413 2.512 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269876353 655025714 /nfs/dbraw/zinc/02/57/14/655025714.db2.gz VHOMSZZSFLRXIZ-GFCCVEGCSA-N 1 2 391.225 2.761 20 5 GFBDLO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000271204632 655070363 /nfs/dbraw/zinc/07/03/63/655070363.db2.gz AEJYNXLQATZKMC-LLVKDONJSA-N 1 2 375.497 2.836 20 5 GFBDLO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227608 659086549 /nfs/dbraw/zinc/08/65/49/659086549.db2.gz VRRBIGPAPUHILJ-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701189 659936410 /nfs/dbraw/zinc/93/64/10/659936410.db2.gz VHTNSRLHDPUHFS-OLZOCXBDSA-N 1 2 384.274 2.652 20 5 GFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854726866 661951659 /nfs/dbraw/zinc/95/16/59/661951659.db2.gz ROCJVUSGAPGSJK-GFCCVEGCSA-N 1 2 388.251 2.838 20 5 GFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408447 661990802 /nfs/dbraw/zinc/99/08/02/661990802.db2.gz UTYYFARDKYAHLY-VHSXEESVSA-N 1 2 376.240 2.741 20 5 GFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408447 661990806 /nfs/dbraw/zinc/99/08/06/661990806.db2.gz UTYYFARDKYAHLY-VHSXEESVSA-N 1 2 376.240 2.741 20 5 GFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000855408445 661990867 /nfs/dbraw/zinc/99/08/67/661990867.db2.gz UTYYFARDKYAHLY-NXEZZACHSA-N 1 2 376.240 2.741 20 5 GFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000855408445 661990871 /nfs/dbraw/zinc/99/08/71/661990871.db2.gz UTYYFARDKYAHLY-NXEZZACHSA-N 1 2 376.240 2.741 20 5 GFBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874708037 662835607 /nfs/dbraw/zinc/83/56/07/662835607.db2.gz IRQOIEMMROIKKE-LLVKDONJSA-N 1 2 376.240 2.742 20 5 GFBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874708037 662835608 /nfs/dbraw/zinc/83/56/08/662835608.db2.gz IRQOIEMMROIKKE-LLVKDONJSA-N 1 2 376.240 2.742 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000881860368 663006525 /nfs/dbraw/zinc/00/65/25/663006525.db2.gz WRVRIGQBYMPPMO-LBPRGKRZSA-N 1 2 384.845 2.779 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2C1 ZINC000121489616 551235326 /nfs/dbraw/zinc/23/53/26/551235326.db2.gz AMEFTAQZWVHMER-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2C1 ZINC000121489616 551235327 /nfs/dbraw/zinc/23/53/27/551235327.db2.gz AMEFTAQZWVHMER-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO C[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000146983995 551397873 /nfs/dbraw/zinc/39/78/73/551397873.db2.gz XYMAGEJGIJQIBK-UHFFFAOYSA-N 1 2 383.857 2.659 20 5 GFBDLO C[N@@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000146983995 551397874 /nfs/dbraw/zinc/39/78/74/551397874.db2.gz XYMAGEJGIJQIBK-UHFFFAOYSA-N 1 2 383.857 2.659 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000277897444 563231383 /nfs/dbraw/zinc/23/13/83/563231383.db2.gz XKXRQSRTYBSTFC-UHFFFAOYSA-N 1 2 397.254 2.776 20 5 GFBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)no1 ZINC000374549742 563376066 /nfs/dbraw/zinc/37/60/66/563376066.db2.gz PTAAELHPHRBMFT-GFCCVEGCSA-N 1 2 396.245 2.759 20 5 GFBDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)no1 ZINC000374549742 563376072 /nfs/dbraw/zinc/37/60/72/563376072.db2.gz PTAAELHPHRBMFT-GFCCVEGCSA-N 1 2 396.245 2.759 20 5 GFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)S1 ZINC000301370652 563401662 /nfs/dbraw/zinc/40/16/62/563401662.db2.gz VCJLUBBOVUADKL-SNVBAGLBSA-N 1 2 385.287 2.971 20 5 GFBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425495572 563425814 /nfs/dbraw/zinc/42/58/14/563425814.db2.gz SUFGKGVGNFLYHA-CYBMUJFWSA-N 1 2 385.262 2.593 20 5 GFBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425495572 563425818 /nfs/dbraw/zinc/42/58/18/563425818.db2.gz SUFGKGVGNFLYHA-CYBMUJFWSA-N 1 2 385.262 2.593 20 5 GFBDLO CC[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000427738867 563473001 /nfs/dbraw/zinc/47/30/01/563473001.db2.gz BFSLSUXWYCVBLR-CYBMUJFWSA-N 1 2 387.889 2.567 20 5 GFBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000427738867 563473005 /nfs/dbraw/zinc/47/30/05/563473005.db2.gz BFSLSUXWYCVBLR-CYBMUJFWSA-N 1 2 387.889 2.567 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395267 563518659 /nfs/dbraw/zinc/51/86/59/563518659.db2.gz ARQMGEUBHUDAHQ-GXTWGEPZSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395267 563518662 /nfs/dbraw/zinc/51/86/62/563518662.db2.gz ARQMGEUBHUDAHQ-GXTWGEPZSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000431077112 563553090 /nfs/dbraw/zinc/55/30/90/563553090.db2.gz NDMMUPQOSJGBSV-UWVGGRQHSA-N 1 2 394.229 2.825 20 5 GFBDLO Cn1cc(C[N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289553037 563678931 /nfs/dbraw/zinc/67/89/31/563678931.db2.gz DLIWGOYHYKERIL-UHFFFAOYSA-N 1 2 386.193 2.565 20 5 GFBDLO Cn1cc(C[N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289553037 563678936 /nfs/dbraw/zinc/67/89/36/563678936.db2.gz DLIWGOYHYKERIL-UHFFFAOYSA-N 1 2 386.193 2.565 20 5 GFBDLO CC(C)=CCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000447692749 563884891 /nfs/dbraw/zinc/88/48/91/563884891.db2.gz IEEQSKCWLOXQMK-UHFFFAOYSA-N 1 2 385.511 2.589 20 5 GFBDLO Cn1cc[nH+]c1[C@@H](NCc1n[nH]cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552058710 564675338 /nfs/dbraw/zinc/67/53/38/564675338.db2.gz XMJQWJUFQAZSKX-AWEZNQCLSA-N 1 2 391.229 2.693 20 5 GFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c[nH+]1 ZINC000533009619 564952208 /nfs/dbraw/zinc/95/22/08/564952208.db2.gz PMSNPJWTIJSGTK-UHFFFAOYSA-N 1 2 375.328 2.848 20 5 GFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972833 565146753 /nfs/dbraw/zinc/14/67/53/565146753.db2.gz IAKJKJUZJVHTMQ-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972833 565146757 /nfs/dbraw/zinc/14/67/57/565146757.db2.gz IAKJKJUZJVHTMQ-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595823615 565492637 /nfs/dbraw/zinc/49/26/37/565492637.db2.gz PFIFKQARGRFMHG-CYBMUJFWSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595823615 565492641 /nfs/dbraw/zinc/49/26/41/565492641.db2.gz PFIFKQARGRFMHG-CYBMUJFWSA-N 1 2 385.262 2.545 20 5 GFBDLO CNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000597250799 565558134 /nfs/dbraw/zinc/55/81/34/565558134.db2.gz ZWDGMQQBUNMGIN-UHFFFAOYSA-N 1 2 382.214 2.795 20 5 GFBDLO CNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000597250799 565558137 /nfs/dbraw/zinc/55/81/37/565558137.db2.gz ZWDGMQQBUNMGIN-UHFFFAOYSA-N 1 2 382.214 2.795 20 5 GFBDLO C[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000089 565588066 /nfs/dbraw/zinc/58/80/66/565588066.db2.gz XNSKQWDYPPQQJL-NWDGAFQWSA-N 1 2 387.889 2.566 20 5 GFBDLO C[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000089 565588073 /nfs/dbraw/zinc/58/80/73/565588073.db2.gz XNSKQWDYPPQQJL-NWDGAFQWSA-N 1 2 387.889 2.566 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000598940362 565650464 /nfs/dbraw/zinc/65/04/64/565650464.db2.gz RPNFIXMMJXYDLD-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000598940362 565650471 /nfs/dbraw/zinc/65/04/71/565650471.db2.gz RPNFIXMMJXYDLD-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000601100746 565767339 /nfs/dbraw/zinc/76/73/39/565767339.db2.gz GIELLGOOOCSXAI-UHFFFAOYSA-N 1 2 375.376 2.731 20 5 GFBDLO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602449602 565848493 /nfs/dbraw/zinc/84/84/93/565848493.db2.gz DWDKZGRUIGFORR-UHFFFAOYSA-N 1 2 376.276 2.862 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808771548 659905367 /nfs/dbraw/zinc/90/53/67/659905367.db2.gz ZATVNNFMEWWCQK-LBPRGKRZSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808771548 659905381 /nfs/dbraw/zinc/90/53/81/659905381.db2.gz ZATVNNFMEWWCQK-LBPRGKRZSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1Cl ZINC000809391135 659926135 /nfs/dbraw/zinc/92/61/35/659926135.db2.gz OQXVYGBYGDIJQI-UHFFFAOYSA-N 1 2 382.269 2.666 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000815023762 660103152 /nfs/dbraw/zinc/10/31/52/660103152.db2.gz HIATVGVBAZIWKG-VIFPVBQESA-N 1 2 388.808 2.679 20 5 GFBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161119521 551590731 /nfs/dbraw/zinc/59/07/31/551590731.db2.gz KGTNOMOHKISZMK-ZDUSSCGKSA-N 1 2 378.397 2.595 20 5 GFBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161119521 551590732 /nfs/dbraw/zinc/59/07/32/551590732.db2.gz KGTNOMOHKISZMK-ZDUSSCGKSA-N 1 2 378.397 2.595 20 5 GFBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172018986 551669006 /nfs/dbraw/zinc/66/90/06/551669006.db2.gz XONMVDSUBFCJOV-UHFFFAOYSA-N 1 2 375.878 2.542 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000177728112 552158225 /nfs/dbraw/zinc/15/82/25/552158225.db2.gz AYCRQLIJFZRKHC-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1sccc1Br ZINC000191430669 552528070 /nfs/dbraw/zinc/52/80/70/552528070.db2.gz LBMBPMMVYZKJTF-UHFFFAOYSA-N 1 2 389.275 2.764 20 5 GFBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1sccc1Br ZINC000191430669 552528071 /nfs/dbraw/zinc/52/80/71/552528071.db2.gz LBMBPMMVYZKJTF-UHFFFAOYSA-N 1 2 389.275 2.764 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247693125 553125208 /nfs/dbraw/zinc/12/52/08/553125208.db2.gz SVMZQRZIKRTTSH-BXUZGUMPSA-N 1 2 384.845 2.717 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295323405 563242105 /nfs/dbraw/zinc/24/21/05/563242105.db2.gz GVTDNPJRZXDOHU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295323405 563242109 /nfs/dbraw/zinc/24/21/09/563242109.db2.gz GVTDNPJRZXDOHU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000286099579 563549194 /nfs/dbraw/zinc/54/91/94/563549194.db2.gz UQIXQQLSRDXATI-SECBINFHSA-N 1 2 388.808 2.679 20 5 GFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433008803 563600144 /nfs/dbraw/zinc/60/01/44/563600144.db2.gz ZVXQHBCMPJEBCI-SNVBAGLBSA-N 1 2 394.229 2.745 20 5 GFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000433005721 563600486 /nfs/dbraw/zinc/60/04/86/563600486.db2.gz CPOPSCNSOSQTDD-JTQLQIEISA-N 1 2 394.229 2.745 20 5 GFBDLO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300226 563609380 /nfs/dbraw/zinc/60/93/80/563609380.db2.gz SODYTRCIFFGZCH-AWEZNQCLSA-N 1 2 398.257 2.675 20 5 GFBDLO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300226 563609385 /nfs/dbraw/zinc/60/93/85/563609385.db2.gz SODYTRCIFFGZCH-AWEZNQCLSA-N 1 2 398.257 2.675 20 5 GFBDLO CC1(C)C[NH+]=C(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)S1 ZINC000287820262 563619261 /nfs/dbraw/zinc/61/92/61/563619261.db2.gz KVKUKLKCZJKPSJ-UHFFFAOYSA-N 1 2 378.483 2.603 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368126671 563864536 /nfs/dbraw/zinc/86/45/36/563864536.db2.gz SNHYXFWVLRTRLQ-MRVPVSSYSA-N 1 2 380.202 2.759 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368126671 563864540 /nfs/dbraw/zinc/86/45/40/563864540.db2.gz SNHYXFWVLRTRLQ-MRVPVSSYSA-N 1 2 380.202 2.759 20 5 GFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)cc1Br ZINC000449482753 564189131 /nfs/dbraw/zinc/18/91/31/564189131.db2.gz CXXDNKLHHAZFHL-SNVBAGLBSA-N 1 2 396.245 2.598 20 5 GFBDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548697156 564571355 /nfs/dbraw/zinc/57/13/55/564571355.db2.gz LWACDUQIROECSV-VIFPVBQESA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000497936134 564880037 /nfs/dbraw/zinc/88/00/37/564880037.db2.gz QZAKZMJNNSFICG-GHMZBOCLSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000497936134 564880040 /nfs/dbraw/zinc/88/00/40/564880040.db2.gz QZAKZMJNNSFICG-GHMZBOCLSA-N 1 2 375.878 2.660 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182068 564952435 /nfs/dbraw/zinc/95/24/35/564952435.db2.gz CFMPZKMXFGQDMO-CABCVRRESA-N 1 2 398.257 2.939 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182068 564952436 /nfs/dbraw/zinc/95/24/36/564952436.db2.gz CFMPZKMXFGQDMO-CABCVRRESA-N 1 2 398.257 2.939 20 5 GFBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501438162 564979369 /nfs/dbraw/zinc/97/93/69/564979369.db2.gz YLYVEITXTJIPEX-GFCCVEGCSA-N 1 2 392.253 2.966 20 5 GFBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501438162 564979374 /nfs/dbraw/zinc/97/93/74/564979374.db2.gz YLYVEITXTJIPEX-GFCCVEGCSA-N 1 2 392.253 2.966 20 5 GFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000601100242 565767459 /nfs/dbraw/zinc/76/74/59/565767459.db2.gz JHAGUUDZVWXOSS-UHFFFAOYSA-N 1 2 375.376 2.731 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611083910 566113191 /nfs/dbraw/zinc/11/31/91/566113191.db2.gz NUAKPHCFZJFCMG-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611083910 566113196 /nfs/dbraw/zinc/11/31/96/566113196.db2.gz NUAKPHCFZJFCMG-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634245 608469175 /nfs/dbraw/zinc/46/91/75/608469175.db2.gz UIFGYGHPNXHYHT-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000102775696 655060759 /nfs/dbraw/zinc/06/07/59/655060759.db2.gz PQKZCJFQGBYOGA-NSHDSACASA-N 1 2 387.508 2.833 20 5 GFBDLO CC(C)(C)c1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000273540498 655147398 /nfs/dbraw/zinc/14/73/98/655147398.db2.gz WXSLIRWVHYFFTE-UHFFFAOYSA-N 1 2 383.495 2.912 20 5 GFBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178005223 655294872 /nfs/dbraw/zinc/29/48/72/655294872.db2.gz PPMXSMTXRGERBU-UHFFFAOYSA-N 1 2 375.878 2.542 20 5 GFBDLO CO[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000840127728 661137457 /nfs/dbraw/zinc/13/74/57/661137457.db2.gz YVTNJWOOGFXDQF-MEBBXXQBSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000840127728 661137468 /nfs/dbraw/zinc/13/74/68/661137468.db2.gz YVTNJWOOGFXDQF-MEBBXXQBSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840127726 661137583 /nfs/dbraw/zinc/13/75/83/661137583.db2.gz YVTNJWOOGFXDQF-BONVTDFDSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840127726 661137591 /nfs/dbraw/zinc/13/75/91/661137591.db2.gz YVTNJWOOGFXDQF-BONVTDFDSA-N 1 2 398.257 2.627 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840188168 661145455 /nfs/dbraw/zinc/14/54/55/661145455.db2.gz YBGOOUKUCZZJGK-JTQLQIEISA-N 1 2 383.451 2.667 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840188168 661145457 /nfs/dbraw/zinc/14/54/57/661145457.db2.gz YBGOOUKUCZZJGK-JTQLQIEISA-N 1 2 383.451 2.667 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765639703 656146535 /nfs/dbraw/zinc/14/65/35/656146535.db2.gz DUJMDJAAHVZJTO-QWRGUYRKSA-N 1 2 377.413 2.510 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765639703 656146537 /nfs/dbraw/zinc/14/65/37/656146537.db2.gz DUJMDJAAHVZJTO-QWRGUYRKSA-N 1 2 377.413 2.510 20 5 GFBDLO C[NH+](C)[C@@H]1CCOc2c(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000788490491 657729081 /nfs/dbraw/zinc/72/90/81/657729081.db2.gz HQJUHPNKIZAQGV-CYBMUJFWSA-N 1 2 383.451 2.842 20 5 GFBDLO Cc1c(Br)cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802239741 659460679 /nfs/dbraw/zinc/46/06/79/659460679.db2.gz YAQFQAYSUWXXKX-LLVKDONJSA-N 1 2 375.194 2.866 20 5 GFBDLO Cc1c(Br)cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802239741 659460687 /nfs/dbraw/zinc/46/06/87/659460687.db2.gz YAQFQAYSUWXXKX-LLVKDONJSA-N 1 2 375.194 2.866 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@@H+]1C1CC1 ZINC000809395112 659926717 /nfs/dbraw/zinc/92/67/17/659926717.db2.gz HXRQFQJKDGUNQU-BDAKNGLRSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC000809395112 659926720 /nfs/dbraw/zinc/92/67/20/659926720.db2.gz HXRQFQJKDGUNQU-BDAKNGLRSA-N 1 2 394.280 2.805 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)C1 ZINC000809843576 659948416 /nfs/dbraw/zinc/94/84/16/659948416.db2.gz OAOVGJXJIOAZMM-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)C1 ZINC000809843576 659948420 /nfs/dbraw/zinc/94/84/20/659948420.db2.gz OAOVGJXJIOAZMM-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000815038470 660105724 /nfs/dbraw/zinc/10/57/24/660105724.db2.gz JLIKWNFPBAOQJC-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000815038470 660105726 /nfs/dbraw/zinc/10/57/26/660105726.db2.gz JLIKWNFPBAOQJC-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO C[N@@H+](CC1=CCSC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853620613 661895425 /nfs/dbraw/zinc/89/54/25/661895425.db2.gz WYVMSIXWVABLCL-UHFFFAOYSA-N 1 2 398.282 2.876 20 5 GFBDLO C[N@H+](CC1=CCSC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853620613 661895427 /nfs/dbraw/zinc/89/54/27/661895427.db2.gz WYVMSIXWVABLCL-UHFFFAOYSA-N 1 2 398.282 2.876 20 5 GFBDLO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866631098 662485881 /nfs/dbraw/zinc/48/58/81/662485881.db2.gz FESSXDPKNRPOPN-GFCCVEGCSA-N 1 2 398.204 2.710 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000876753473 662865855 /nfs/dbraw/zinc/86/58/55/662865855.db2.gz LCDJVTXZTOGYAY-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000876753473 662865857 /nfs/dbraw/zinc/86/58/57/662865857.db2.gz LCDJVTXZTOGYAY-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877555067 662878752 /nfs/dbraw/zinc/87/87/52/662878752.db2.gz SRVLAODJVVBPJV-SECBINFHSA-N 1 2 390.259 2.693 20 5 GFBDLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877555067 662878753 /nfs/dbraw/zinc/87/87/53/662878753.db2.gz SRVLAODJVVBPJV-SECBINFHSA-N 1 2 390.259 2.693 20 5 GFBDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892545271 663376916 /nfs/dbraw/zinc/37/69/16/663376916.db2.gz RZFJPYHDKNWMDG-UHFFFAOYSA-N 1 2 383.857 2.788 20 5 GFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001164916734 721814728 /nfs/dbraw/zinc/81/47/28/721814728.db2.gz GEGURIPLVUWHPB-UHFFFAOYSA-N 1 2 390.875 2.898 20 5 GFBDLO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637771 206252767 /nfs/dbraw/zinc/25/27/67/206252767.db2.gz RBUYIRJEURFLHP-UHFFFAOYSA-N 1 2 395.463 2.555 20 5 GFBDLO Cc1sc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000123297344 551304623 /nfs/dbraw/zinc/30/46/23/551304623.db2.gz CQUASCXWIBLOCC-UHFFFAOYSA-N 1 2 378.435 2.629 20 5 GFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153150681 551447310 /nfs/dbraw/zinc/44/73/10/551447310.db2.gz GPMMMFUGPQPVBD-UHFFFAOYSA-N 1 2 379.214 2.748 20 5 GFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000420582331 563267367 /nfs/dbraw/zinc/26/73/67/563267367.db2.gz ITJRSYCZYHEILC-UHFFFAOYSA-N 1 2 380.857 2.731 20 5 GFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)S1 ZINC000301579084 563407561 /nfs/dbraw/zinc/40/75/61/563407561.db2.gz NDGKVLOGQLAUDS-SNVBAGLBSA-N 1 2 385.287 2.971 20 5 GFBDLO Cc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)on1 ZINC000425381118 563419576 /nfs/dbraw/zinc/41/95/76/563419576.db2.gz GITSFIBDJFTEOO-UHFFFAOYSA-N 1 2 395.257 2.972 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000451693506 564340815 /nfs/dbraw/zinc/34/08/15/564340815.db2.gz YIFPSXVBVLCKJW-ZDUSSCGKSA-N 1 2 384.845 2.754 20 5 GFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1ccc([N+](=O)[O-])cc1 ZINC000453390485 564456133 /nfs/dbraw/zinc/45/61/33/564456133.db2.gz XYUACIBVXJGMIB-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456437966 564607742 /nfs/dbraw/zinc/60/77/42/564607742.db2.gz XHLYRDGTXLYABW-RNCFNFMXSA-N 1 2 379.214 2.919 20 5 GFBDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485506435 564617702 /nfs/dbraw/zinc/61/77/02/564617702.db2.gz PSGJIKUVGWIETA-JTQLQIEISA-N 1 2 376.276 2.831 20 5 GFBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485506435 564617703 /nfs/dbraw/zinc/61/77/03/564617703.db2.gz PSGJIKUVGWIETA-JTQLQIEISA-N 1 2 376.276 2.831 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486644817 564661243 /nfs/dbraw/zinc/66/12/43/564661243.db2.gz JCCOOBKFLLXCHE-OAHLLOKOSA-N 1 2 375.878 2.517 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486644817 564661245 /nfs/dbraw/zinc/66/12/45/564661245.db2.gz JCCOOBKFLLXCHE-OAHLLOKOSA-N 1 2 375.878 2.517 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000530974803 564898980 /nfs/dbraw/zinc/89/89/80/564898980.db2.gz VFGOCQSQSOPHAD-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264349 564959929 /nfs/dbraw/zinc/95/99/29/564959929.db2.gz MLHXWLONBQZKQQ-AWEZNQCLSA-N 1 2 381.479 2.518 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264349 564959930 /nfs/dbraw/zinc/95/99/30/564959930.db2.gz MLHXWLONBQZKQQ-AWEZNQCLSA-N 1 2 381.479 2.518 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000594016807 565372144 /nfs/dbraw/zinc/37/21/44/565372144.db2.gz IQJNVKMYMVDGRP-CYBMUJFWSA-N 1 2 390.221 2.936 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000594016807 565372150 /nfs/dbraw/zinc/37/21/50/565372150.db2.gz IQJNVKMYMVDGRP-CYBMUJFWSA-N 1 2 390.221 2.936 20 5 GFBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957719 565438177 /nfs/dbraw/zinc/43/81/77/565438177.db2.gz ULFCNGGMAWERMJ-QPUJVOFHSA-N 1 2 399.192 2.587 20 5 GFBDLO Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2[nH+]c1C1CC1 ZINC000826355131 608018402 /nfs/dbraw/zinc/01/84/02/608018402.db2.gz LCSVKNUGGBJAIU-UHFFFAOYSA-N 1 2 377.368 2.678 20 5 GFBDLO O=[N+]([O-])c1ccc2nc(NCCCNc3cccc[nH+]3)cc(-c3nn[nH]n3)c2c1 ZINC000826499476 608370241 /nfs/dbraw/zinc/37/02/41/608370241.db2.gz JZLQRGYYYXYOTJ-UHFFFAOYSA-N 1 2 391.395 2.632 20 5 GFBDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000826341868 608565025 /nfs/dbraw/zinc/56/50/25/608565025.db2.gz RSHZMKSUHUAQLV-WDEREUQCSA-N 1 2 399.411 2.663 20 5 GFBDLO CC[C@H]1C[N@H+](CC)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829127081 660582787 /nfs/dbraw/zinc/58/27/87/660582787.db2.gz UKITXZYLJZNWHV-NSHDSACASA-N 1 2 377.413 2.512 20 5 GFBDLO CC[C@H]1C[N@@H+](CC)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829127081 660582789 /nfs/dbraw/zinc/58/27/89/660582789.db2.gz UKITXZYLJZNWHV-NSHDSACASA-N 1 2 377.413 2.512 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000830593550 660666482 /nfs/dbraw/zinc/66/64/82/660666482.db2.gz BQNICTFXMUHTAH-JTQLQIEISA-N 1 2 394.229 2.506 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000131892473 654921047 /nfs/dbraw/zinc/92/10/47/654921047.db2.gz QUJBDXXOJLPRHY-AWEZNQCLSA-N 1 2 393.241 2.788 20 5 GFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000132391967 654936538 /nfs/dbraw/zinc/93/65/38/654936538.db2.gz PFGWPMBEOVDSES-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268085096 654958446 /nfs/dbraw/zinc/95/84/46/654958446.db2.gz WZJJPASBJBROFJ-NSHDSACASA-N 1 2 384.845 2.848 20 5 GFBDLO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1)C1CC1 ZINC000839465276 661085651 /nfs/dbraw/zinc/08/56/51/661085651.db2.gz NVTVCBCHHGGSOB-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839672096 661099501 /nfs/dbraw/zinc/09/95/01/661099501.db2.gz RQJXLFJEZAQHRX-NSHDSACASA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839672096 661099504 /nfs/dbraw/zinc/09/95/04/661099504.db2.gz RQJXLFJEZAQHRX-NSHDSACASA-N 1 2 389.271 2.695 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000765736907 656149841 /nfs/dbraw/zinc/14/98/41/656149841.db2.gz CYBJROKCYSVMDX-VXGBXAGGSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000765736907 656149843 /nfs/dbraw/zinc/14/98/43/656149843.db2.gz CYBJROKCYSVMDX-VXGBXAGGSA-N 1 2 375.878 2.660 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(Cl)cc1Cl ZINC000791422814 658095896 /nfs/dbraw/zinc/09/58/96/658095896.db2.gz IUCNZBQQYSVCPC-UHFFFAOYSA-N 1 2 394.280 2.618 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808771547 659905313 /nfs/dbraw/zinc/90/53/13/659905313.db2.gz ZATVNNFMEWWCQK-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808771547 659905318 /nfs/dbraw/zinc/90/53/18/659905318.db2.gz ZATVNNFMEWWCQK-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808258 659940263 /nfs/dbraw/zinc/94/02/63/659940263.db2.gz LWDKDSQJDYEGFG-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808258 659940264 /nfs/dbraw/zinc/94/02/64/659940264.db2.gz LWDKDSQJDYEGFG-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816776 659941634 /nfs/dbraw/zinc/94/16/34/659941634.db2.gz OPSYAELUHHBLGA-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816776 659941635 /nfs/dbraw/zinc/94/16/35/659941635.db2.gz OPSYAELUHHBLGA-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809965342 659953966 /nfs/dbraw/zinc/95/39/66/659953966.db2.gz HXWZSJCUSRUAQJ-AWEZNQCLSA-N 1 2 377.224 2.648 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000848509154 661658798 /nfs/dbraw/zinc/65/87/98/661658798.db2.gz UQNIDFPSOINVMH-OLZOCXBDSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000848509154 661658803 /nfs/dbraw/zinc/65/88/03/661658803.db2.gz UQNIDFPSOINVMH-OLZOCXBDSA-N 1 2 391.852 2.683 20 5 GFBDLO Cc1c(C[NH2+]Cc2cn(C)nc2I)cccc1[N+](=O)[O-] ZINC000894543469 663468056 /nfs/dbraw/zinc/46/80/56/663468056.db2.gz QWVAHTJOMGWKCE-UHFFFAOYSA-N 1 2 386.193 2.531 20 5 GFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001165008117 721711771 /nfs/dbraw/zinc/71/17/71/721711771.db2.gz AVXHEUNNRBJUCY-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001165008117 721711781 /nfs/dbraw/zinc/71/17/81/721711781.db2.gz AVXHEUNNRBJUCY-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1cccnc1-n1cc[nH+]c1 ZINC000129713020 551359419 /nfs/dbraw/zinc/35/94/19/551359419.db2.gz XUEDAUURTXMGBS-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163319785 551618554 /nfs/dbraw/zinc/61/85/54/551618554.db2.gz DQTCRDMRVQSIRE-UHFFFAOYSA-N 1 2 375.878 2.542 20 5 GFBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000184533280 552337700 /nfs/dbraw/zinc/33/77/00/552337700.db2.gz RTRPKZXJNRMCGF-ZDUSSCGKSA-N 1 2 398.213 2.866 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c12 ZINC000294891826 563220691 /nfs/dbraw/zinc/22/06/91/563220691.db2.gz GHSVIEFLVIDLPT-UHFFFAOYSA-N 1 2 383.246 2.857 20 5 GFBDLO Cn1nc(Br)c2c1nc[nH+]c2NCCc1ccccc1[N+](=O)[O-] ZINC000301481265 563405457 /nfs/dbraw/zinc/40/54/57/563405457.db2.gz YVVZBTHKWWQISF-UHFFFAOYSA-N 1 2 377.202 2.689 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462075 563424033 /nfs/dbraw/zinc/42/40/33/563424033.db2.gz VYMIYRTVPOTUSC-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462075 563424036 /nfs/dbraw/zinc/42/40/36/563424036.db2.gz VYMIYRTVPOTUSC-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300228 563609469 /nfs/dbraw/zinc/60/94/69/563609469.db2.gz SODYTRCIFFGZCH-CQSZACIVSA-N 1 2 398.257 2.675 20 5 GFBDLO O=C(C[N@@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300228 563609473 /nfs/dbraw/zinc/60/94/73/563609473.db2.gz SODYTRCIFFGZCH-CQSZACIVSA-N 1 2 398.257 2.675 20 5 GFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1OCC[NH+](C)C ZINC000414385678 563732254 /nfs/dbraw/zinc/73/22/54/563732254.db2.gz FSZQPLPUPCLQIV-UHFFFAOYSA-N 1 2 385.467 2.706 20 5 GFBDLO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642832 563762749 /nfs/dbraw/zinc/76/27/49/563762749.db2.gz COAXVRRMOHNTDF-VXGBXAGGSA-N 1 2 398.257 2.654 20 5 GFBDLO O=C(C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642832 563762750 /nfs/dbraw/zinc/76/27/50/563762750.db2.gz COAXVRRMOHNTDF-VXGBXAGGSA-N 1 2 398.257 2.654 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH+]c12 ZINC000546121663 564445562 /nfs/dbraw/zinc/44/55/62/564445562.db2.gz CQBPCJRVHDILEP-UHFFFAOYSA-N 1 2 392.213 2.614 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)[nH+]c12 ZINC000546822797 564470002 /nfs/dbraw/zinc/47/00/02/564470002.db2.gz DXVHACCAGGCNQQ-UHFFFAOYSA-N 1 2 379.170 2.836 20 5 GFBDLO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CCC(F)(F)F ZINC000491589040 564793609 /nfs/dbraw/zinc/79/36/09/564793609.db2.gz NMOOXNSJOAZVLY-UHFFFAOYSA-N 1 2 383.392 2.685 20 5 GFBDLO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CCC(F)(F)F ZINC000491589040 564793612 /nfs/dbraw/zinc/79/36/12/564793612.db2.gz NMOOXNSJOAZVLY-UHFFFAOYSA-N 1 2 383.392 2.685 20 5 GFBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000581576014 564809190 /nfs/dbraw/zinc/80/91/90/564809190.db2.gz NMPJQGWFUNJUSW-NSHDSACASA-N 1 2 381.479 2.665 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556534647 564829912 /nfs/dbraw/zinc/82/99/12/564829912.db2.gz TZQVROFDBLNKEZ-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556534647 564829914 /nfs/dbraw/zinc/82/99/14/564829914.db2.gz TZQVROFDBLNKEZ-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO CN(C)S(=O)(=O)c1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000532166077 564931374 /nfs/dbraw/zinc/93/13/74/564931374.db2.gz LAZYXGHSYMLDHJ-UHFFFAOYSA-N 1 2 378.435 2.644 20 5 GFBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601403202 565781603 /nfs/dbraw/zinc/78/16/03/565781603.db2.gz BZXITUIBDPKEPR-UHFFFAOYSA-N 1 2 386.499 2.825 20 5 GFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(OCCCO)CC2)cc1Br ZINC000602474273 565849966 /nfs/dbraw/zinc/84/99/66/565849966.db2.gz FTXRPBCKFDRIHB-UHFFFAOYSA-N 1 2 379.276 2.782 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000602827095 565868972 /nfs/dbraw/zinc/86/89/72/565868972.db2.gz OFGBYJITUIAZCZ-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000602827095 565868977 /nfs/dbraw/zinc/86/89/77/565868977.db2.gz OFGBYJITUIAZCZ-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826498673 607451453 /nfs/dbraw/zinc/45/14/53/607451453.db2.gz FCUIMVJXQMDWGD-UHFFFAOYSA-N 1 2 399.842 2.751 20 5 GFBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000121614974 655350249 /nfs/dbraw/zinc/35/02/49/655350249.db2.gz REUCOLZETDDZCK-UHFFFAOYSA-N 1 2 387.621 2.717 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000793302887 658382494 /nfs/dbraw/zinc/38/24/94/658382494.db2.gz HQJUWHNVRYWIRH-LLVKDONJSA-N 1 2 375.194 2.866 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000793302887 658382509 /nfs/dbraw/zinc/38/25/09/658382509.db2.gz HQJUWHNVRYWIRH-LLVKDONJSA-N 1 2 375.194 2.866 20 5 GFBDLO CC1CC[NH+](CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000809390952 659926112 /nfs/dbraw/zinc/92/61/12/659926112.db2.gz LBXXIHULKRHWFD-UHFFFAOYSA-N 1 2 396.296 2.912 20 5 GFBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816775 659941613 /nfs/dbraw/zinc/94/16/13/659941613.db2.gz OPSYAELUHHBLGA-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816775 659941615 /nfs/dbraw/zinc/94/16/15/659941615.db2.gz OPSYAELUHHBLGA-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000809830304 659945952 /nfs/dbraw/zinc/94/59/52/659945952.db2.gz VMJICQMSAUJQJO-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@@H+]1C ZINC000809830304 659945954 /nfs/dbraw/zinc/94/59/54/659945954.db2.gz VMJICQMSAUJQJO-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653031 661869463 /nfs/dbraw/zinc/86/94/63/661869463.db2.gz JMWZOKZJTIQZCS-LBPRGKRZSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653031 661869464 /nfs/dbraw/zinc/86/94/64/661869464.db2.gz JMWZOKZJTIQZCS-LBPRGKRZSA-N 1 2 385.262 2.545 20 5 GFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000857949758 662094981 /nfs/dbraw/zinc/09/49/81/662094981.db2.gz DHFNUBQRSHABAX-SECBINFHSA-N 1 2 399.632 2.952 20 5 GFBDLO O=C1NCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930063756 664761967 /nfs/dbraw/zinc/76/19/67/664761967.db2.gz QYWIPYHWWKNDGQ-UHFFFAOYSA-N 1 2 397.273 2.737 20 5 GFBDLO CCN1CC[NH+]([C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000106479275 551200134 /nfs/dbraw/zinc/20/01/34/551200134.db2.gz BZADMMYEABDIJT-AWEZNQCLSA-N 1 2 383.290 2.574 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000151277652 551410534 /nfs/dbraw/zinc/41/05/34/551410534.db2.gz SVMZQRZIKRTTSH-FZMZJTMJSA-N 1 2 384.845 2.717 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000157021224 551531903 /nfs/dbraw/zinc/53/19/03/551531903.db2.gz SFOYVBFFHQOEOQ-GFCCVEGCSA-N 1 2 389.271 2.509 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000157021224 551531909 /nfs/dbraw/zinc/53/19/09/551531909.db2.gz SFOYVBFFHQOEOQ-GFCCVEGCSA-N 1 2 389.271 2.509 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000263709990 553191919 /nfs/dbraw/zinc/19/19/19/553191919.db2.gz JYRXCQIBDSOXIL-UHFFFAOYSA-N 1 2 384.845 2.779 20 5 GFBDLO CC[N@@H+]1CCO[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000420485802 563265868 /nfs/dbraw/zinc/26/58/68/563265868.db2.gz BOKDZWLLJWLKQL-ZDUSSCGKSA-N 1 2 397.229 2.724 20 5 GFBDLO CC[N@H+]1CCO[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000420485802 563265870 /nfs/dbraw/zinc/26/58/70/563265870.db2.gz BOKDZWLLJWLKQL-ZDUSSCGKSA-N 1 2 397.229 2.724 20 5 GFBDLO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931855 563291444 /nfs/dbraw/zinc/29/14/44/563291444.db2.gz DORWDALZNRHGLM-JQWIXIFHSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931855 563291447 /nfs/dbraw/zinc/29/14/47/563291447.db2.gz DORWDALZNRHGLM-JQWIXIFHSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000373835388 563352694 /nfs/dbraw/zinc/35/26/94/563352694.db2.gz KLHDGDRXVBYYDG-MEBBXXQBSA-N 1 2 388.251 2.694 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374375928 563369530 /nfs/dbraw/zinc/36/95/30/563369530.db2.gz UWKVVNOVFZRTKY-HNNXBMFYSA-N 1 2 391.225 2.539 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000281216549 563369592 /nfs/dbraw/zinc/36/95/92/563369592.db2.gz QWDDXYSFYUCAOM-UHFFFAOYSA-N 1 2 388.808 2.610 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C2 ZINC000375048800 563388913 /nfs/dbraw/zinc/38/89/13/563388913.db2.gz ZXLYBRSOEOGJKD-NSHDSACASA-N 1 2 393.241 2.915 20 5 GFBDLO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000375713109 563415730 /nfs/dbraw/zinc/41/57/30/563415730.db2.gz WGNPQUATPVEVJH-QMMMGPOBSA-N 1 2 385.243 2.608 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000431077116 563552926 /nfs/dbraw/zinc/55/29/26/563552926.db2.gz NDMMUPQOSJGBSV-ZJUUUORDSA-N 1 2 394.229 2.825 20 5 GFBDLO O=C(NCCCO)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289553060 563678882 /nfs/dbraw/zinc/67/88/82/563678882.db2.gz DMDBDZVUMPIDAT-UHFFFAOYSA-N 1 2 390.267 2.612 20 5 GFBDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291536217 563746537 /nfs/dbraw/zinc/74/65/37/563746537.db2.gz KUIPWZBLQMCHDT-UHFFFAOYSA-N 1 2 396.296 2.805 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])[nH]3)[nH+]c12 ZINC000546116782 564445861 /nfs/dbraw/zinc/44/58/61/564445861.db2.gz HGYWFSHVZORXNF-UHFFFAOYSA-N 1 2 392.213 2.614 20 5 GFBDLO C[C@H](O)C1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000569173435 564451874 /nfs/dbraw/zinc/45/18/74/564451874.db2.gz SNGNQSAXBXVXBJ-JTQLQIEISA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456437975 564607736 /nfs/dbraw/zinc/60/77/36/564607736.db2.gz XHLYRDGTXLYABW-ZANVPECISA-N 1 2 379.214 2.919 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000527361879 564742043 /nfs/dbraw/zinc/74/20/43/564742043.db2.gz FWFFVSOUQVKSAI-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO CC(=O)NC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459553372 564750528 /nfs/dbraw/zinc/75/05/28/564750528.db2.gz GEVSPLVNOANJSJ-UHFFFAOYSA-N 1 2 394.225 2.938 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000462402432 564837262 /nfs/dbraw/zinc/83/72/62/564837262.db2.gz UWHYUYQYNSXCCV-LLVKDONJSA-N 1 2 392.264 2.536 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(Br)c1 ZINC000533466039 564963088 /nfs/dbraw/zinc/96/30/88/564963088.db2.gz BZWSMUJTVRNSMX-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135117 565030382 /nfs/dbraw/zinc/03/03/82/565030382.db2.gz FYHVNOUBNCOFJW-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135117 565030387 /nfs/dbraw/zinc/03/03/87/565030387.db2.gz FYHVNOUBNCOFJW-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO Cc1c(Br)cncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596979028 565544055 /nfs/dbraw/zinc/54/40/55/565544055.db2.gz FFGNSMDPDNDZBB-UHFFFAOYSA-N 1 2 392.257 2.778 20 5 GFBDLO C[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646855 565631628 /nfs/dbraw/zinc/63/16/28/565631628.db2.gz LTHKFAIRVOHERQ-CMPLNLGQSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646855 565631631 /nfs/dbraw/zinc/63/16/31/565631631.db2.gz LTHKFAIRVOHERQ-CMPLNLGQSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820570408 599569743 /nfs/dbraw/zinc/56/97/43/599569743.db2.gz JGUSSNSJFOESQG-ZDUSSCGKSA-N 1 2 397.414 2.797 20 5 GFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000054146415 654757388 /nfs/dbraw/zinc/75/73/88/654757388.db2.gz WWAUSUYMZIZRJD-UHFFFAOYSA-N 1 2 381.479 2.599 20 5 GFBDLO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000129079236 654856116 /nfs/dbraw/zinc/85/61/16/654856116.db2.gz OWYFNJKUYIAYTJ-JTQLQIEISA-N 1 2 375.497 2.836 20 5 GFBDLO CO[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840127730 661137698 /nfs/dbraw/zinc/13/76/98/661137698.db2.gz YVTNJWOOGFXDQF-ZUZCIYMTSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840127730 661137701 /nfs/dbraw/zinc/13/77/01/661137701.db2.gz YVTNJWOOGFXDQF-ZUZCIYMTSA-N 1 2 398.257 2.627 20 5 GFBDLO CCOC[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795441267 658819477 /nfs/dbraw/zinc/81/94/77/658819477.db2.gz XGKUJBJMLOXIJF-NSHDSACASA-N 1 2 398.257 2.629 20 5 GFBDLO CCOC[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795441267 658819478 /nfs/dbraw/zinc/81/94/78/658819478.db2.gz XGKUJBJMLOXIJF-NSHDSACASA-N 1 2 398.257 2.629 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000795788016 658851213 /nfs/dbraw/zinc/85/12/13/658851213.db2.gz ZAPMUJJGCGXXHP-UHFFFAOYSA-N 1 2 391.852 2.636 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000795957460 658876709 /nfs/dbraw/zinc/87/67/09/658876709.db2.gz SHHXHVBKNYTLNU-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000795957460 658876712 /nfs/dbraw/zinc/87/67/12/658876712.db2.gz SHHXHVBKNYTLNU-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390808 659925646 /nfs/dbraw/zinc/92/56/46/659925646.db2.gz INILBVQIVOPCDO-JTQLQIEISA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390808 659925650 /nfs/dbraw/zinc/92/56/50/659925650.db2.gz INILBVQIVOPCDO-JTQLQIEISA-N 1 2 396.296 2.912 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1Cl ZINC000809391184 659926110 /nfs/dbraw/zinc/92/61/10/659926110.db2.gz HSNKLIOAWBMYDU-UHFFFAOYSA-N 1 2 394.280 2.618 20 5 GFBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808257 659940177 /nfs/dbraw/zinc/94/01/77/659940177.db2.gz LWDKDSQJDYEGFG-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808257 659940180 /nfs/dbraw/zinc/94/01/80/659940180.db2.gz LWDKDSQJDYEGFG-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000927768330 664715565 /nfs/dbraw/zinc/71/55/65/664715565.db2.gz LBVVENHLEFZISP-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000931475849 664796019 /nfs/dbraw/zinc/79/60/19/664796019.db2.gz HAIQWWJDPXAPAS-GXSJLCMTSA-N 1 2 383.164 2.960 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000931475849 664796020 /nfs/dbraw/zinc/79/60/20/664796020.db2.gz HAIQWWJDPXAPAS-GXSJLCMTSA-N 1 2 383.164 2.960 20 5 GFBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163339235 551619022 /nfs/dbraw/zinc/61/90/22/551619022.db2.gz NRNXLQCSGYPDMY-LBPRGKRZSA-N 1 2 375.878 2.542 20 5 GFBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163339235 551619024 /nfs/dbraw/zinc/61/90/24/551619024.db2.gz NRNXLQCSGYPDMY-LBPRGKRZSA-N 1 2 375.878 2.542 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371356590 563274047 /nfs/dbraw/zinc/27/40/47/563274047.db2.gz YPFDAJQGYOHYRB-SNVBAGLBSA-N 1 2 379.214 2.676 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371356590 563274049 /nfs/dbraw/zinc/27/40/49/563274049.db2.gz YPFDAJQGYOHYRB-SNVBAGLBSA-N 1 2 379.214 2.676 20 5 GFBDLO CC(C)[C@H](C)Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000301419827 563402901 /nfs/dbraw/zinc/40/29/01/563402901.db2.gz DKTBRTKLYNQLDB-ZDUSSCGKSA-N 1 2 387.527 2.668 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000301931241 563416269 /nfs/dbraw/zinc/41/62/69/563416269.db2.gz LNTPMOXOAQJSLX-UHFFFAOYSA-N 1 2 387.527 2.762 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302215379 563423911 /nfs/dbraw/zinc/42/39/11/563423911.db2.gz IVPXEFSVBILTIZ-UHFFFAOYSA-N 1 2 378.230 2.864 20 5 GFBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000302493465 563426050 /nfs/dbraw/zinc/42/60/50/563426050.db2.gz JINVPWGTJRCTFY-JHJVBQTASA-N 1 2 399.289 2.830 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000286099586 563549209 /nfs/dbraw/zinc/54/92/09/563549209.db2.gz UQIXQQLSRDXATI-VIFPVBQESA-N 1 2 388.808 2.679 20 5 GFBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000413951424 563711812 /nfs/dbraw/zinc/71/18/12/563711812.db2.gz CAFQJQCLCRBFCM-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)cc1Br ZINC000449482752 564188842 /nfs/dbraw/zinc/18/88/42/564188842.db2.gz CXXDNKLHHAZFHL-JTQLQIEISA-N 1 2 396.245 2.598 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000451693405 564341078 /nfs/dbraw/zinc/34/10/78/564341078.db2.gz YIFPSXVBVLCKJW-CYBMUJFWSA-N 1 2 384.845 2.754 20 5 GFBDLO COc1cc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)[nH+]cc1Br ZINC000556616213 564832031 /nfs/dbraw/zinc/83/20/31/564832031.db2.gz CEDPOWULJFBNFH-UHFFFAOYSA-N 1 2 384.186 2.509 20 5 GFBDLO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480827 565851609 /nfs/dbraw/zinc/85/16/09/565851609.db2.gz CJDIRLLGBZOQBU-JTQLQIEISA-N 1 2 379.276 2.904 20 5 GFBDLO COCCOC[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480827 565851614 /nfs/dbraw/zinc/85/16/14/565851614.db2.gz CJDIRLLGBZOQBU-JTQLQIEISA-N 1 2 379.276 2.904 20 5 GFBDLO CC(C)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+]1CCS(=O)CC1 ZINC000610952663 566107744 /nfs/dbraw/zinc/10/77/44/566107744.db2.gz FRWUMFUTKCGRQF-UHFFFAOYSA-N 1 2 379.404 2.868 20 5 GFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000738367499 598315648 /nfs/dbraw/zinc/31/56/48/598315648.db2.gz SPKBLSBPXRJFSN-UHFFFAOYSA-N 1 2 394.313 2.805 20 5 GFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001502 654892460 /nfs/dbraw/zinc/89/24/60/654892460.db2.gz YXKPVNLXNUMVJR-GXTWGEPZSA-N 1 2 381.479 2.770 20 5 GFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001502 654892463 /nfs/dbraw/zinc/89/24/63/654892463.db2.gz YXKPVNLXNUMVJR-GXTWGEPZSA-N 1 2 381.479 2.770 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000795823156 658855148 /nfs/dbraw/zinc/85/51/48/658855148.db2.gz MRADKYNFVULIQT-SNVBAGLBSA-N 1 2 388.808 2.610 20 5 GFBDLO Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1Br ZINC000804809268 659684441 /nfs/dbraw/zinc/68/44/41/659684441.db2.gz VIYKJRPCTZFFPN-CHWSQXEVSA-N 1 2 384.274 2.965 20 5 GFBDLO CN(CC(F)(F)Br)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000807861209 659867573 /nfs/dbraw/zinc/86/75/73/659867573.db2.gz RKWDOGAGOCMXPV-UHFFFAOYSA-N 1 2 389.156 2.840 20 5 GFBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853746665 661899121 /nfs/dbraw/zinc/89/91/21/661899121.db2.gz LDTJAVKEFGAZNJ-SNVBAGLBSA-N 1 2 377.413 2.876 20 5 GFBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853746665 661899123 /nfs/dbraw/zinc/89/91/23/661899123.db2.gz LDTJAVKEFGAZNJ-SNVBAGLBSA-N 1 2 377.413 2.876 20 5 GFBDLO C[NH+]1CCN(C2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213304 662464695 /nfs/dbraw/zinc/46/46/95/662464695.db2.gz SZOWHMHFOLXZSM-UHFFFAOYSA-N 1 2 383.290 2.574 20 5 GFBDLO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000866629547 662485104 /nfs/dbraw/zinc/48/51/04/662485104.db2.gz IKFBCHLBHMRVIQ-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000876753472 662865916 /nfs/dbraw/zinc/86/59/16/662865916.db2.gz LCDJVTXZTOGYAY-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000876753472 662865917 /nfs/dbraw/zinc/86/59/17/662865917.db2.gz LCDJVTXZTOGYAY-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1I)c1cccc([N+](=O)[O-])c1 ZINC000894193890 663447904 /nfs/dbraw/zinc/44/79/04/663447904.db2.gz VSAYBDQCOABAQI-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO O=C1OCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931068799 664784569 /nfs/dbraw/zinc/78/45/69/664784569.db2.gz ONQDATVVCRQTAY-UHFFFAOYSA-N 1 2 384.230 2.774 20 5 GFBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc(Br)c([N+](=O)[O-])n3)c2cc1C ZINC000064040224 551185013 /nfs/dbraw/zinc/18/50/13/551185013.db2.gz VCXRNHMZBYSCRJ-LLVKDONJSA-N 1 2 394.229 2.581 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C2 ZINC000121052278 551226172 /nfs/dbraw/zinc/22/61/72/551226172.db2.gz NJWOVZLNFUCMEN-GFCCVEGCSA-N 1 2 393.241 2.915 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000157021391 551532188 /nfs/dbraw/zinc/53/21/88/551532188.db2.gz SFOYVBFFHQOEOQ-LBPRGKRZSA-N 1 2 389.271 2.509 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000157021391 551532190 /nfs/dbraw/zinc/53/21/90/551532190.db2.gz SFOYVBFFHQOEOQ-LBPRGKRZSA-N 1 2 389.271 2.509 20 5 GFBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161119391 551590721 /nfs/dbraw/zinc/59/07/21/551590721.db2.gz KGTNOMOHKISZMK-CYBMUJFWSA-N 1 2 378.397 2.595 20 5 GFBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161119391 551590718 /nfs/dbraw/zinc/59/07/18/551590718.db2.gz KGTNOMOHKISZMK-CYBMUJFWSA-N 1 2 378.397 2.595 20 5 GFBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000182641858 552289467 /nfs/dbraw/zinc/28/94/67/552289467.db2.gz HDYSTKMPIXGCJD-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000370439887 563244349 /nfs/dbraw/zinc/24/43/49/563244349.db2.gz VINNNHCTUNYEOL-UHFFFAOYSA-N 1 2 384.845 2.602 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000301190939 563395920 /nfs/dbraw/zinc/39/59/20/563395920.db2.gz LROIWMHNUCSSIU-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462076 563423700 /nfs/dbraw/zinc/42/37/00/563423700.db2.gz VYMIYRTVPOTUSC-SWLSCSKDSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462076 563423702 /nfs/dbraw/zinc/42/37/02/563423702.db2.gz VYMIYRTVPOTUSC-SWLSCSKDSA-N 1 2 384.274 2.652 20 5 GFBDLO Cc1nc(C[NH+]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)cs1 ZINC000286194315 563551764 /nfs/dbraw/zinc/55/17/64/563551764.db2.gz RCMOAKLYPFBGDH-UHFFFAOYSA-N 1 2 376.467 2.687 20 5 GFBDLO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3c(Br)ccc(F)c23)c1 ZINC000409733960 563570136 /nfs/dbraw/zinc/57/01/36/563570136.db2.gz TYBLVCIKIGZNKI-UHFFFAOYSA-N 1 2 380.177 2.775 20 5 GFBDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1sc(Br)cc1[N+](=O)[O-] ZINC000365771232 563792936 /nfs/dbraw/zinc/79/29/36/563792936.db2.gz XCKMPUXVCLWDIF-MRVPVSSYSA-N 1 2 385.243 2.923 20 5 GFBDLO Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000507556058 564231633 /nfs/dbraw/zinc/23/16/33/564231633.db2.gz UREJIEDFZDFVHH-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)CCC2 ZINC000543436897 564350528 /nfs/dbraw/zinc/35/05/28/564350528.db2.gz CBVDOVLREUKPLL-NSHDSACASA-N 1 2 380.246 2.977 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516341578 564499928 /nfs/dbraw/zinc/49/99/28/564499928.db2.gz IWVNFHRJBMQYAX-OAHLLOKOSA-N 1 2 383.857 2.829 20 5 GFBDLO CC[C@@]1(O)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694575 564856998 /nfs/dbraw/zinc/85/69/98/564856998.db2.gz XGNVUPIMCAPLMA-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO CC[C@@]1(O)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694575 564857003 /nfs/dbraw/zinc/85/70/03/564857003.db2.gz XGNVUPIMCAPLMA-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460080 564901812 /nfs/dbraw/zinc/90/18/12/564901812.db2.gz WZMSWEYWIRDPDM-GXFFZTMASA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460080 564901814 /nfs/dbraw/zinc/90/18/14/564901814.db2.gz WZMSWEYWIRDPDM-GXFFZTMASA-N 1 2 390.221 2.935 20 5 GFBDLO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCOC ZINC000499643431 564932787 /nfs/dbraw/zinc/93/27/87/564932787.db2.gz YAULBAVYMXDRTF-GFCCVEGCSA-N 1 2 387.278 2.689 20 5 GFBDLO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CCOC ZINC000499643431 564932789 /nfs/dbraw/zinc/93/27/89/564932789.db2.gz YAULBAVYMXDRTF-GFCCVEGCSA-N 1 2 387.278 2.689 20 5 GFBDLO Cc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)c(C)[nH+]1 ZINC000596213672 565515724 /nfs/dbraw/zinc/51/57/24/565515724.db2.gz BNHCCTSIVMJIRY-UHFFFAOYSA-N 1 2 381.234 2.802 20 5 GFBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000610060202 566063584 /nfs/dbraw/zinc/06/35/84/566063584.db2.gz IRJGLDPNCABDTH-UHFFFAOYSA-N 1 2 379.214 2.748 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611083911 566113337 /nfs/dbraw/zinc/11/33/37/566113337.db2.gz NUAKPHCFZJFCMG-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611083911 566113342 /nfs/dbraw/zinc/11/33/42/566113342.db2.gz NUAKPHCFZJFCMG-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015655778 654512169 /nfs/dbraw/zinc/51/21/69/654512169.db2.gz VHYRFBSOTMDZAK-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601215 661094890 /nfs/dbraw/zinc/09/48/90/661094890.db2.gz PLHQLHUUJVPFCY-GXTWGEPZSA-N 1 2 384.274 2.652 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000114742466 655228254 /nfs/dbraw/zinc/22/82/54/655228254.db2.gz LEZYAPHRLIMIDG-AWEZNQCLSA-N 1 2 381.479 2.599 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000114742466 655228256 /nfs/dbraw/zinc/22/82/56/655228256.db2.gz LEZYAPHRLIMIDG-AWEZNQCLSA-N 1 2 381.479 2.599 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000119337820 655299410 /nfs/dbraw/zinc/29/94/10/655299410.db2.gz CJRIOTFUBJKJRW-CYBMUJFWSA-N 1 2 385.467 2.755 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000119337925 655299714 /nfs/dbraw/zinc/29/97/14/655299714.db2.gz CJRIOTFUBJKJRW-ZDUSSCGKSA-N 1 2 385.467 2.755 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000725823622 655526976 /nfs/dbraw/zinc/52/69/76/655526976.db2.gz ZHATXBOLIQABOG-CYBMUJFWSA-N 1 2 389.886 2.891 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000765736903 656149565 /nfs/dbraw/zinc/14/95/65/656149565.db2.gz CYBJROKCYSVMDX-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000765736903 656149568 /nfs/dbraw/zinc/14/95/68/656149568.db2.gz CYBJROKCYSVMDX-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO O=C1NCCCN1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769494925 656278222 /nfs/dbraw/zinc/27/82/22/656278222.db2.gz BLRYUQAFYCWPNQ-UHFFFAOYSA-N 1 2 397.273 2.737 20 5 GFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774515277 656533017 /nfs/dbraw/zinc/53/30/17/656533017.db2.gz CPTCCYVACRKOPX-SECBINFHSA-N 1 2 378.332 2.585 20 5 GFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774515278 656533507 /nfs/dbraw/zinc/53/35/07/656533507.db2.gz CPTCCYVACRKOPX-VIFPVBQESA-N 1 2 378.332 2.585 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000809785163 659939332 /nfs/dbraw/zinc/93/93/32/659939332.db2.gz RODFERKUKRKQAI-CYBMUJFWSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000809785163 659939333 /nfs/dbraw/zinc/93/93/33/659939333.db2.gz RODFERKUKRKQAI-CYBMUJFWSA-N 1 2 387.889 2.542 20 5 GFBDLO Cn1nc(Br)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816711657 660166603 /nfs/dbraw/zinc/16/66/03/660166603.db2.gz QZSLTBGSLRTCTI-UHFFFAOYSA-N 1 2 391.185 2.529 20 5 GFBDLO Cc1nc(N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000856741415 662040295 /nfs/dbraw/zinc/04/02/95/662040295.db2.gz NOECWJYTSOQSFH-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000067523192 209217853 /nfs/dbraw/zinc/21/78/53/209217853.db2.gz ACMOVVWKWNWWKX-UHFFFAOYSA-N 1 2 385.311 2.758 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000173472979 552086047 /nfs/dbraw/zinc/08/60/47/552086047.db2.gz CKUFOCVJLCBFDX-CYBMUJFWSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000173472979 552086049 /nfs/dbraw/zinc/08/60/49/552086049.db2.gz CKUFOCVJLCBFDX-CYBMUJFWSA-N 1 2 378.230 2.834 20 5 GFBDLO C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000278542952 563260812 /nfs/dbraw/zinc/26/08/12/563260812.db2.gz SHNSOHJPENQVBH-SNVBAGLBSA-N 1 2 377.388 2.667 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374373267 563369895 /nfs/dbraw/zinc/36/98/95/563369895.db2.gz HGMGNCBMKRAQOJ-SNVBAGLBSA-N 1 2 397.254 2.601 20 5 GFBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC000374435248 563372426 /nfs/dbraw/zinc/37/24/26/563372426.db2.gz JAAYQINWKQVXJP-LLVKDONJSA-N 1 2 384.845 2.609 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000301839764 563413143 /nfs/dbraw/zinc/41/31/43/563413143.db2.gz OMCQOPLYTPIHHV-UHFFFAOYSA-N 1 2 394.229 2.596 20 5 GFBDLO CCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000425410148 563420417 /nfs/dbraw/zinc/42/04/17/563420417.db2.gz WAESQQUIGAHGPN-CYBMUJFWSA-N 1 2 391.287 2.756 20 5 GFBDLO CCC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000425410148 563420420 /nfs/dbraw/zinc/42/04/20/563420420.db2.gz WAESQQUIGAHGPN-CYBMUJFWSA-N 1 2 391.287 2.756 20 5 GFBDLO COc1ccc(Br)c(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000429285309 563513449 /nfs/dbraw/zinc/51/34/49/563513449.db2.gz GOBIFEPDYINZLW-UHFFFAOYSA-N 1 2 396.241 2.660 20 5 GFBDLO COc1ccc(Br)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000429285309 563513453 /nfs/dbraw/zinc/51/34/53/563513453.db2.gz GOBIFEPDYINZLW-UHFFFAOYSA-N 1 2 396.241 2.660 20 5 GFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000385032505 563518029 /nfs/dbraw/zinc/51/80/29/563518029.db2.gz HICMYOKPCDWWFO-UHFFFAOYSA-N 1 2 375.191 2.946 20 5 GFBDLO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434650077 563633847 /nfs/dbraw/zinc/63/38/47/563633847.db2.gz IESBHFJDSAFEOJ-UHFFFAOYSA-N 1 2 375.182 2.753 20 5 GFBDLO Cc1[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2n1CCCC2 ZINC000362487801 563707627 /nfs/dbraw/zinc/70/76/27/563707627.db2.gz NZQPDUIDGWNWNX-UHFFFAOYSA-N 1 2 384.845 2.568 20 5 GFBDLO C[NH+]1CCN(C[C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393965 563721534 /nfs/dbraw/zinc/72/15/34/563721534.db2.gz XFSONTKOIMWFIR-CQSZACIVSA-N 1 2 397.317 2.821 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414569842 563747191 /nfs/dbraw/zinc/74/71/91/563747191.db2.gz PXMIVTWVZWKFTF-LLVKDONJSA-N 1 2 376.381 2.534 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414569842 563747192 /nfs/dbraw/zinc/74/71/92/563747192.db2.gz PXMIVTWVZWKFTF-LLVKDONJSA-N 1 2 376.381 2.534 20 5 GFBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)cc1Br ZINC000449486136 564189312 /nfs/dbraw/zinc/18/93/12/564189312.db2.gz STOZKXXKTZNHFT-SNVBAGLBSA-N 1 2 396.245 2.598 20 5 GFBDLO CC[NH+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000567958476 564397382 /nfs/dbraw/zinc/39/73/82/564397382.db2.gz MQZYVVSAPKMEGJ-RKDXNWHRSA-N 1 2 376.276 2.974 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH+]c12 ZINC000544774672 564398727 /nfs/dbraw/zinc/39/87/27/564398727.db2.gz GIUFRISAOXCLLU-UHFFFAOYSA-N 1 2 378.186 2.572 20 5 GFBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173414 564452050 /nfs/dbraw/zinc/45/20/50/564452050.db2.gz RSGVBKUUWBEIML-YGRLFVJLSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173414 564452052 /nfs/dbraw/zinc/45/20/52/564452052.db2.gz RSGVBKUUWBEIML-YGRLFVJLSA-N 1 2 390.221 2.935 20 5 GFBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485506436 564617751 /nfs/dbraw/zinc/61/77/51/564617751.db2.gz PSGJIKUVGWIETA-SNVBAGLBSA-N 1 2 376.276 2.831 20 5 GFBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485506436 564617753 /nfs/dbraw/zinc/61/77/53/564617753.db2.gz PSGJIKUVGWIETA-SNVBAGLBSA-N 1 2 376.276 2.831 20 5 GFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000527112471 564730393 /nfs/dbraw/zinc/73/03/93/564730393.db2.gz KIWUNVXWJFTGJT-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000459609023 564752904 /nfs/dbraw/zinc/75/29/04/564752904.db2.gz QHTIBJPPSDPTAV-UHFFFAOYSA-N 1 2 388.205 2.812 20 5 GFBDLO CCC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499660369 564933631 /nfs/dbraw/zinc/93/36/31/564933631.db2.gz YCDOHVDAXLVQLZ-LBPRGKRZSA-N 1 2 387.278 2.689 20 5 GFBDLO CCC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499660369 564933634 /nfs/dbraw/zinc/93/36/34/564933634.db2.gz YCDOHVDAXLVQLZ-LBPRGKRZSA-N 1 2 387.278 2.689 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000467390917 564961643 /nfs/dbraw/zinc/96/16/43/564961643.db2.gz ABBZTRWMKXSQJR-GFCCVEGCSA-N 1 2 375.497 2.607 20 5 GFBDLO Cc1sc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000467421487 564963499 /nfs/dbraw/zinc/96/34/99/564963499.db2.gz XCXOXOSZBNWXJI-UHFFFAOYSA-N 1 2 398.388 2.544 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000501124673 564971565 /nfs/dbraw/zinc/97/15/65/564971565.db2.gz KSQJAHMMOQSZFU-JTQLQIEISA-N 1 2 380.202 2.690 20 5 GFBDLO Cc1nnc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000562071931 565017043 /nfs/dbraw/zinc/01/70/43/565017043.db2.gz ZSVMUGKLJQBSOY-UHFFFAOYSA-N 1 2 390.206 2.649 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598945884 565650273 /nfs/dbraw/zinc/65/02/73/565650273.db2.gz DDDUOEAHFYNQIG-LLVKDONJSA-N 1 2 379.214 2.607 20 5 GFBDLO COc1cc(C[NH2+]Cc2cc(Br)cnc2OC)c([N+](=O)[O-])cc1O ZINC000599002940 565652560 /nfs/dbraw/zinc/65/25/60/565652560.db2.gz FCCVWKHDDYJULG-UHFFFAOYSA-N 1 2 398.213 2.765 20 5 GFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(Cn3cncn3)CC2)cc1Br ZINC000602622738 565858141 /nfs/dbraw/zinc/85/81/41/565858141.db2.gz LVSDEGSBLXMXPD-UHFFFAOYSA-N 1 2 386.275 2.923 20 5 GFBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826168739 608370733 /nfs/dbraw/zinc/37/07/33/608370733.db2.gz XBPHRABBYPRFBE-UHFFFAOYSA-N 1 2 380.408 2.948 20 5 GFBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826168739 608370736 /nfs/dbraw/zinc/37/07/36/608370736.db2.gz XBPHRABBYPRFBE-UHFFFAOYSA-N 1 2 380.408 2.948 20 5 GFBDLO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000129139805 654858074 /nfs/dbraw/zinc/85/80/74/654858074.db2.gz JMYLEIASJLGESP-CYBMUJFWSA-N 1 2 387.458 2.914 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1Br ZINC000839594747 661094591 /nfs/dbraw/zinc/09/45/91/661094591.db2.gz XSXKRIZSRPWKGT-CQSZACIVSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1Br ZINC000839594747 661094593 /nfs/dbraw/zinc/09/45/93/661094593.db2.gz XSXKRIZSRPWKGT-CQSZACIVSA-N 1 2 398.301 2.902 20 5 GFBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000786830413 657471486 /nfs/dbraw/zinc/47/14/86/657471486.db2.gz JISIBTXAMPHWCW-UHFFFAOYSA-N 1 2 395.261 2.586 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033521 660104807 /nfs/dbraw/zinc/10/48/07/660104807.db2.gz JWINBJYGPXEDHT-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033521 660104810 /nfs/dbraw/zinc/10/48/10/660104810.db2.gz JWINBJYGPXEDHT-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000865952271 662453300 /nfs/dbraw/zinc/45/33/00/662453300.db2.gz FVEQBCDSRKINCN-UHFFFAOYSA-N 1 2 393.241 2.913 20 5 GFBDLO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000896963060 663583042 /nfs/dbraw/zinc/58/30/42/663583042.db2.gz CTCGYNYZFAOPEW-VIFPVBQESA-N 1 2 392.214 2.587 20 5 GFBDLO CCN1CC[NH+]([C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000106479272 551200180 /nfs/dbraw/zinc/20/01/80/551200180.db2.gz BZADMMYEABDIJT-CQSZACIVSA-N 1 2 383.290 2.574 20 5 GFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000151585985 551417104 /nfs/dbraw/zinc/41/71/04/551417104.db2.gz IGDKJAKRHBUTLJ-UHFFFAOYSA-N 1 2 380.813 2.516 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000159551799 551566934 /nfs/dbraw/zinc/56/69/34/551566934.db2.gz YDAYGVBRQGWXNO-UHFFFAOYSA-N 1 2 393.241 2.863 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301712084 563411061 /nfs/dbraw/zinc/41/10/61/563411061.db2.gz YGKHASHIMYXABL-UHFFFAOYSA-N 1 2 393.241 2.780 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395279 563518673 /nfs/dbraw/zinc/51/86/73/563518673.db2.gz ARQMGEUBHUDAHQ-OCCSQVGLSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395279 563518675 /nfs/dbraw/zinc/51/86/75/563518675.db2.gz ARQMGEUBHUDAHQ-OCCSQVGLSA-N 1 2 384.274 2.652 20 5 GFBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365460755 563784613 /nfs/dbraw/zinc/78/46/13/563784613.db2.gz LBARVXOSQZYHDA-VIFPVBQESA-N 1 2 399.270 2.950 20 5 GFBDLO CN(C)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000445521831 563850422 /nfs/dbraw/zinc/85/04/22/563850422.db2.gz SSSXJSUOQNQXFU-UHFFFAOYSA-N 1 2 393.241 2.677 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891269 564246780 /nfs/dbraw/zinc/24/67/80/564246780.db2.gz IEBPLBZSARGZIE-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891269 564246782 /nfs/dbraw/zinc/24/67/82/564246782.db2.gz IEBPLBZSARGZIE-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO COc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543621490 564356049 /nfs/dbraw/zinc/35/60/49/564356049.db2.gz RUORFCMBOPIMHI-UHFFFAOYSA-N 1 2 384.841 2.820 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(CNc2ccc(CO)c[nH+]2)c1 ZINC000568457272 564420362 /nfs/dbraw/zinc/42/03/62/564420362.db2.gz ZYLZJSOQXVAICD-UHFFFAOYSA-N 1 2 385.161 2.699 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000501124675 564971333 /nfs/dbraw/zinc/97/13/33/564971333.db2.gz KSQJAHMMOQSZFU-SNVBAGLBSA-N 1 2 380.202 2.690 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000534436278 564988968 /nfs/dbraw/zinc/98/89/68/564988968.db2.gz HZTJSFBHLBHXET-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO C[C@H]1COCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256883 565157642 /nfs/dbraw/zinc/15/76/42/565157642.db2.gz UUEBIBYUEYQNJG-JTQLQIEISA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@H]1COCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256883 565157644 /nfs/dbraw/zinc/15/76/44/565157644.db2.gz UUEBIBYUEYQNJG-JTQLQIEISA-N 1 2 376.194 2.810 20 5 GFBDLO Cc1cc[nH+]cc1N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000619589470 565350927 /nfs/dbraw/zinc/35/09/27/565350927.db2.gz XCURYKIYWNYKLT-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595639443 565486430 /nfs/dbraw/zinc/48/64/30/565486430.db2.gz YEXGSRRVENQKPA-BPNCWPANSA-N 1 2 380.388 2.872 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595639443 565486438 /nfs/dbraw/zinc/48/64/38/565486438.db2.gz YEXGSRRVENQKPA-BPNCWPANSA-N 1 2 380.388 2.872 20 5 GFBDLO C[C@H]1C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)C1O ZINC000595734096 565489656 /nfs/dbraw/zinc/48/96/56/565489656.db2.gz UWSIGWHGUJZOII-UWVGGRQHSA-N 1 2 390.221 2.648 20 5 GFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632040 565693716 /nfs/dbraw/zinc/69/37/16/565693716.db2.gz RAOFRCITDIVLLT-GFXHDAAQSA-N 1 2 385.873 2.561 20 5 GFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632040 565693722 /nfs/dbraw/zinc/69/37/22/565693722.db2.gz RAOFRCITDIVLLT-GFXHDAAQSA-N 1 2 385.873 2.561 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000602873301 565871435 /nfs/dbraw/zinc/87/14/35/565871435.db2.gz ITPOIGSHWZHPMU-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000602873301 565871440 /nfs/dbraw/zinc/87/14/40/565871440.db2.gz ITPOIGSHWZHPMU-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736201069 598255779 /nfs/dbraw/zinc/25/57/79/598255779.db2.gz GKDHUWCJAWVZME-CYBMUJFWSA-N 1 2 397.414 2.797 20 5 GFBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625414 608489737 /nfs/dbraw/zinc/48/97/37/608489737.db2.gz HLGSOCVEWZDKPM-NSHDSACASA-N 1 2 392.379 2.676 20 5 GFBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000826902788 660471332 /nfs/dbraw/zinc/47/13/32/660471332.db2.gz LQYKGWFIMAARHS-ZWNOBZJWSA-N 1 2 394.229 2.672 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000064243023 654864630 /nfs/dbraw/zinc/86/46/30/654864630.db2.gz HTVVTZSZZGKMAS-CQSZACIVSA-N 1 2 381.479 2.772 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000118956416 655284420 /nfs/dbraw/zinc/28/44/20/655284420.db2.gz SADLWHJWYUQGCA-GFCCVEGCSA-N 1 2 391.225 2.761 20 5 GFBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000841331095 661252346 /nfs/dbraw/zinc/25/23/46/661252346.db2.gz IXTVBQNTSPIPAM-UHFFFAOYSA-N 1 2 376.240 2.742 20 5 GFBDLO CC[N@H+](C[C@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795418520 658816267 /nfs/dbraw/zinc/81/62/67/658816267.db2.gz UOJZWZPPIRAWLI-GFCCVEGCSA-N 1 2 398.257 2.772 20 5 GFBDLO CC[N@@H+](C[C@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795418520 658816275 /nfs/dbraw/zinc/81/62/75/658816275.db2.gz UOJZWZPPIRAWLI-GFCCVEGCSA-N 1 2 398.257 2.772 20 5 GFBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989536 660100291 /nfs/dbraw/zinc/10/02/91/660100291.db2.gz OJIYBXIDNFFYLS-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989536 660100292 /nfs/dbraw/zinc/10/02/92/660100292.db2.gz OJIYBXIDNFFYLS-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO Cc1csc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880010192 662945112 /nfs/dbraw/zinc/94/51/12/662945112.db2.gz VLJJZVHFRZPDIS-CYBMUJFWSA-N 1 2 381.479 2.623 20 5 GFBDLO Cc1csc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880010192 662945115 /nfs/dbraw/zinc/94/51/15/662945115.db2.gz VLJJZVHFRZPDIS-CYBMUJFWSA-N 1 2 381.479 2.623 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000066327332 551186271 /nfs/dbraw/zinc/18/62/71/551186271.db2.gz VAFYPVHBOWEGPR-GFCCVEGCSA-N 1 2 385.467 2.755 20 5 GFBDLO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188082387 552434209 /nfs/dbraw/zinc/43/42/09/552434209.db2.gz RSJAIUWPHJIBPW-UHFFFAOYSA-N 1 2 375.182 2.753 20 5 GFBDLO C[C@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464751 552497758 /nfs/dbraw/zinc/49/77/58/552497758.db2.gz YJDGSQXLPIMXCH-SNVBAGLBSA-N 1 2 388.287 2.981 20 5 GFBDLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464751 552497760 /nfs/dbraw/zinc/49/77/60/552497760.db2.gz YJDGSQXLPIMXCH-SNVBAGLBSA-N 1 2 388.287 2.981 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000190492037 552498107 /nfs/dbraw/zinc/49/81/07/552498107.db2.gz UNFHOAORFKIXSE-NSHDSACASA-N 1 2 391.225 2.761 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000370230126 563237344 /nfs/dbraw/zinc/23/73/44/563237344.db2.gz IGQXWXHFNJELIL-UHFFFAOYSA-N 1 2 387.889 2.638 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371356589 563274559 /nfs/dbraw/zinc/27/45/59/563274559.db2.gz YPFDAJQGYOHYRB-JTQLQIEISA-N 1 2 379.214 2.676 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371356589 563274563 /nfs/dbraw/zinc/27/45/63/563274563.db2.gz YPFDAJQGYOHYRB-JTQLQIEISA-N 1 2 379.214 2.676 20 5 GFBDLO CC(C)[C@@H](C)Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000301419826 563403038 /nfs/dbraw/zinc/40/30/38/563403038.db2.gz DKTBRTKLYNQLDB-CYBMUJFWSA-N 1 2 387.527 2.668 20 5 GFBDLO O=C1CN(c2ccc(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c[nH+]2)CCN1 ZINC000302033226 563419135 /nfs/dbraw/zinc/41/91/35/563419135.db2.gz OAIDSFZIMHRFKX-UHFFFAOYSA-N 1 2 382.207 2.976 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302216985 563423895 /nfs/dbraw/zinc/42/38/95/563423895.db2.gz JXVSNBZNQCNXHP-UHFFFAOYSA-N 1 2 378.230 2.864 20 5 GFBDLO CCN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000425488517 563424885 /nfs/dbraw/zinc/42/48/85/563424885.db2.gz WUEUMPJQAAFJFX-OAHLLOKOSA-N 1 2 394.273 2.959 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395273 563519040 /nfs/dbraw/zinc/51/90/40/563519040.db2.gz ARQMGEUBHUDAHQ-JSGCOSHPSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395273 563519045 /nfs/dbraw/zinc/51/90/45/563519045.db2.gz ARQMGEUBHUDAHQ-JSGCOSHPSA-N 1 2 384.274 2.652 20 5 GFBDLO O=C(CCc1[nH]cc[nH+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286459381 563561050 /nfs/dbraw/zinc/56/10/50/563561050.db2.gz ZBHPVYKUEGYITB-UHFFFAOYSA-N 1 2 379.214 2.598 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000361790940 563701056 /nfs/dbraw/zinc/70/10/56/563701056.db2.gz WSTXDFGRXWBHJP-LLVKDONJSA-N 1 2 379.214 2.721 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000364528401 563756308 /nfs/dbraw/zinc/75/63/08/563756308.db2.gz LGYHGUYIKTZLCJ-SNVBAGLBSA-N 1 2 379.214 2.607 20 5 GFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292211083 563778530 /nfs/dbraw/zinc/77/85/30/563778530.db2.gz HYXDZCUHVBIDFT-CMPLNLGQSA-N 1 2 388.251 2.837 20 5 GFBDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365460754 563784773 /nfs/dbraw/zinc/78/47/73/563784773.db2.gz LBARVXOSQZYHDA-SECBINFHSA-N 1 2 399.270 2.950 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C2 ZINC000365670405 563790915 /nfs/dbraw/zinc/79/09/15/563790915.db2.gz SXTNICIXMUMLJY-QMMMGPOBSA-N 1 2 385.243 2.669 20 5 GFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000480939605 564496426 /nfs/dbraw/zinc/49/64/26/564496426.db2.gz SSIHGKWGQZXFCH-HNNXBMFYSA-N 1 2 383.495 2.854 20 5 GFBDLO COC(=O)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000580678129 564768820 /nfs/dbraw/zinc/76/88/20/564768820.db2.gz HORGJXUIYFQMDV-UHFFFAOYSA-N 1 2 392.193 2.583 20 5 GFBDLO COC(=O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000580678129 564768822 /nfs/dbraw/zinc/76/88/22/564768822.db2.gz HORGJXUIYFQMDV-UHFFFAOYSA-N 1 2 392.193 2.583 20 5 GFBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000581576013 564808937 /nfs/dbraw/zinc/80/89/37/564808937.db2.gz NMPJQGWFUNJUSW-LLVKDONJSA-N 1 2 381.479 2.665 20 5 GFBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462423271 564839158 /nfs/dbraw/zinc/83/91/58/564839158.db2.gz UCGUQVAOHANUPT-SNVBAGLBSA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462423271 564839161 /nfs/dbraw/zinc/83/91/61/564839161.db2.gz UCGUQVAOHANUPT-SNVBAGLBSA-N 1 2 396.296 2.912 20 5 GFBDLO COc1cc(C[N@@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352011 564935535 /nfs/dbraw/zinc/93/55/35/564935535.db2.gz QVLNKOKYHGGJKD-LLVKDONJSA-N 1 2 378.397 2.505 20 5 GFBDLO COc1cc(C[N@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352011 564935536 /nfs/dbraw/zinc/93/55/36/564935536.db2.gz QVLNKOKYHGGJKD-LLVKDONJSA-N 1 2 378.397 2.505 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392938 565472819 /nfs/dbraw/zinc/47/28/19/565472819.db2.gz MNFRHECSXNDEIE-CQSZACIVSA-N 1 2 381.479 2.518 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392938 565472825 /nfs/dbraw/zinc/47/28/25/565472825.db2.gz MNFRHECSXNDEIE-CQSZACIVSA-N 1 2 381.479 2.518 20 5 GFBDLO C[C@@](CO)([NH2+]Cc1ncc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150327 565768230 /nfs/dbraw/zinc/76/82/30/565768230.db2.gz VNSMWSSZACVFDS-HNNXBMFYSA-N 1 2 384.205 2.889 20 5 GFBDLO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602431832 565847215 /nfs/dbraw/zinc/84/72/15/565847215.db2.gz DQVFAVIQGYGLFV-UHFFFAOYSA-N 1 2 376.276 2.719 20 5 GFBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639246 565859874 /nfs/dbraw/zinc/85/98/74/565859874.db2.gz IEBOYOOPQUVDLA-SNVBAGLBSA-N 1 2 378.292 2.571 20 5 GFBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639246 565859878 /nfs/dbraw/zinc/85/98/78/565859878.db2.gz IEBOYOOPQUVDLA-SNVBAGLBSA-N 1 2 378.292 2.571 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000602763622 565867803 /nfs/dbraw/zinc/86/78/03/565867803.db2.gz MYBQMNGIGYZUNF-OAHLLOKOSA-N 1 2 395.257 2.936 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000602763622 565867808 /nfs/dbraw/zinc/86/78/08/565867808.db2.gz MYBQMNGIGYZUNF-OAHLLOKOSA-N 1 2 395.257 2.936 20 5 GFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738368623 598251682 /nfs/dbraw/zinc/25/16/82/598251682.db2.gz GGTZYTQAOPJMND-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000176635343 655251445 /nfs/dbraw/zinc/25/14/45/655251445.db2.gz RHTGAQAXZHDJHO-ZDUSSCGKSA-N 1 2 387.845 2.731 20 5 GFBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755030977 655878750 /nfs/dbraw/zinc/87/87/50/655878750.db2.gz RLHTWYYHUAXJIA-UHFFFAOYSA-N 1 2 380.202 2.986 20 5 GFBDLO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950167 661216466 /nfs/dbraw/zinc/21/64/66/661216466.db2.gz FOJFDCXHAHWGRZ-VIFPVBQESA-N 1 2 390.824 2.507 20 5 GFBDLO C[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2Br)CC1 ZINC000786827230 657469962 /nfs/dbraw/zinc/46/99/62/657469962.db2.gz KVPNSGDMSURJFY-UHFFFAOYSA-N 1 2 393.245 2.643 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580262 662962973 /nfs/dbraw/zinc/96/29/73/662962973.db2.gz FRHICNIVVCGTQE-CQSZACIVSA-N 1 2 385.258 2.721 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580262 662962977 /nfs/dbraw/zinc/96/29/77/662962977.db2.gz FRHICNIVVCGTQE-CQSZACIVSA-N 1 2 385.258 2.721 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1Br ZINC000903021632 663771191 /nfs/dbraw/zinc/77/11/91/663771191.db2.gz CBVGEMNZFYJNHQ-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1Br ZINC000903021632 663771192 /nfs/dbraw/zinc/77/11/92/663771192.db2.gz CBVGEMNZFYJNHQ-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773328 664715822 /nfs/dbraw/zinc/71/58/22/664715822.db2.gz IMMFUKVXHBRUDO-LLVKDONJSA-N 1 2 380.495 2.910 20 5 GFBDLO O=C1N[C@@H](C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)CO1 ZINC000932772993 664836797 /nfs/dbraw/zinc/83/67/97/664836797.db2.gz JRDFYGVKFQLTIO-CYBMUJFWSA-N 1 2 384.230 2.678 20 5 GFBDLO O=C1NCCN1CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000933582205 664869733 /nfs/dbraw/zinc/86/97/33/664869733.db2.gz VZOAZWZRVRNMNG-UHFFFAOYSA-N 1 2 397.273 2.595 20 5 GFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121358082 677398965 /nfs/dbraw/zinc/39/89/65/677398965.db2.gz SQLHTAOJIRFOCJ-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333876 551186328 /nfs/dbraw/zinc/18/63/28/551186328.db2.gz YXKPVNLXNUMVJR-OCCSQVGLSA-N 1 2 381.479 2.770 20 5 GFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333876 551186329 /nfs/dbraw/zinc/18/63/29/551186329.db2.gz YXKPVNLXNUMVJR-OCCSQVGLSA-N 1 2 381.479 2.770 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000119500339 551216836 /nfs/dbraw/zinc/21/68/36/551216836.db2.gz CXEKHQNGAXMEHJ-GFCCVEGCSA-N 1 2 389.886 2.891 20 5 GFBDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124125348 551310990 /nfs/dbraw/zinc/31/09/90/551310990.db2.gz WXWULGSALHSIER-WPRPVWTQSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124125348 551310992 /nfs/dbraw/zinc/31/09/92/551310992.db2.gz WXWULGSALHSIER-WPRPVWTQSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000151277607 551410588 /nfs/dbraw/zinc/41/05/88/551410588.db2.gz SVMZQRZIKRTTSH-RISCZKNCSA-N 1 2 384.845 2.717 20 5 GFBDLO C[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000179603240 552197660 /nfs/dbraw/zinc/19/76/60/552197660.db2.gz FXLRMKFEZQZOIW-UHFFFAOYSA-N 1 2 387.458 2.743 20 5 GFBDLO C[N@@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000179603240 552197664 /nfs/dbraw/zinc/19/76/64/552197664.db2.gz FXLRMKFEZQZOIW-UHFFFAOYSA-N 1 2 387.458 2.743 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000371045276 563263899 /nfs/dbraw/zinc/26/38/99/563263899.db2.gz RXLSKWYIURHYOF-SNVBAGLBSA-N 1 2 379.214 2.721 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000374381884 563370745 /nfs/dbraw/zinc/37/07/45/563370745.db2.gz YGLMLBKFFMIFDO-SNVBAGLBSA-N 1 2 379.214 2.721 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](Cc2cscn2)CC1 ZINC000375830233 563419722 /nfs/dbraw/zinc/41/97/22/563419722.db2.gz NBFYSJGNQMPIDV-UHFFFAOYSA-N 1 2 398.286 2.707 20 5 GFBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000425441476 563423215 /nfs/dbraw/zinc/42/32/15/563423215.db2.gz GMSWWQCVLOSIGK-JTQLQIEISA-N 1 2 383.202 2.826 20 5 GFBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000425441476 563423216 /nfs/dbraw/zinc/42/32/16/563423216.db2.gz GMSWWQCVLOSIGK-JTQLQIEISA-N 1 2 383.202 2.826 20 5 GFBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)O1 ZINC000425441476 563423217 /nfs/dbraw/zinc/42/32/17/563423217.db2.gz GMSWWQCVLOSIGK-JTQLQIEISA-N 1 2 383.202 2.826 20 5 GFBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)O1 ZINC000425441476 563423218 /nfs/dbraw/zinc/42/32/18/563423218.db2.gz GMSWWQCVLOSIGK-JTQLQIEISA-N 1 2 383.202 2.826 20 5 GFBDLO O=[N+]([O-])c1cnc(N2CCCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000302220956 563423771 /nfs/dbraw/zinc/42/37/71/563423771.db2.gz MGCIYRFWRNFEDS-UHFFFAOYSA-N 1 2 378.230 2.864 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000377423169 563474256 /nfs/dbraw/zinc/47/42/56/563474256.db2.gz IZMKKIJZERTXOA-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)cc1Cl ZINC000290817349 563722595 /nfs/dbraw/zinc/72/25/95/563722595.db2.gz SSRVAVFMHSNDDJ-SNVBAGLBSA-N 1 2 392.264 2.536 20 5 GFBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000450541823 564237698 /nfs/dbraw/zinc/23/76/98/564237698.db2.gz UFXUSXGZLVIMPF-NSHDSACASA-N 1 2 386.246 2.654 20 5 GFBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000450541823 564237701 /nfs/dbraw/zinc/23/77/01/564237701.db2.gz UFXUSXGZLVIMPF-NSHDSACASA-N 1 2 386.246 2.654 20 5 GFBDLO CCCCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000540331688 564245534 /nfs/dbraw/zinc/24/55/34/564245534.db2.gz XZNQZADWXKHGNH-UHFFFAOYSA-N 1 2 387.527 2.813 20 5 GFBDLO NC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000475440934 564309068 /nfs/dbraw/zinc/30/90/68/564309068.db2.gz NZCDBKVZNDQERX-CQSZACIVSA-N 1 2 382.189 2.813 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511297405 564366334 /nfs/dbraw/zinc/36/63/34/564366334.db2.gz VDZOAAKNNIXUNS-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511297405 564366338 /nfs/dbraw/zinc/36/63/38/564366338.db2.gz VDZOAAKNNIXUNS-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO C[C@@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000567512449 564375554 /nfs/dbraw/zinc/37/55/54/564375554.db2.gz UQIXJHOMAVVHGK-TZMCWYRMSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000567512449 564375559 /nfs/dbraw/zinc/37/55/59/564375559.db2.gz UQIXJHOMAVVHGK-TZMCWYRMSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850076 564491376 /nfs/dbraw/zinc/49/13/76/564491376.db2.gz GUKNIKIBWVSTJB-PRHODGIISA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850076 564491382 /nfs/dbraw/zinc/49/13/82/564491382.db2.gz GUKNIKIBWVSTJB-PRHODGIISA-N 1 2 394.280 2.663 20 5 GFBDLO NC(=O)c1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000483224536 564560833 /nfs/dbraw/zinc/56/08/33/564560833.db2.gz GGACYKXGJRBYPV-CYBMUJFWSA-N 1 2 384.219 2.824 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000486460549 564653115 /nfs/dbraw/zinc/65/31/15/564653115.db2.gz XMBAFTJIYRVFBK-RKDXNWHRSA-N 1 2 376.276 2.974 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000486460549 564653118 /nfs/dbraw/zinc/65/31/18/564653118.db2.gz XMBAFTJIYRVFBK-RKDXNWHRSA-N 1 2 376.276 2.974 20 5 GFBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486625562 564659593 /nfs/dbraw/zinc/65/95/93/564659593.db2.gz DRDUCZAALBEWPX-ZDUSSCGKSA-N 1 2 396.296 2.862 20 5 GFBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000486625562 564659596 /nfs/dbraw/zinc/65/95/96/564659596.db2.gz DRDUCZAALBEWPX-ZDUSSCGKSA-N 1 2 396.296 2.862 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264350 564959944 /nfs/dbraw/zinc/95/99/44/564959944.db2.gz MLHXWLONBQZKQQ-CQSZACIVSA-N 1 2 381.479 2.518 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264350 564959947 /nfs/dbraw/zinc/95/99/47/564959947.db2.gz MLHXWLONBQZKQQ-CQSZACIVSA-N 1 2 381.479 2.518 20 5 GFBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595861340 565494844 /nfs/dbraw/zinc/49/48/44/565494844.db2.gz TYPFWNMWVJSNAN-QMTHXVAHSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595861340 565494846 /nfs/dbraw/zinc/49/48/46/565494846.db2.gz TYPFWNMWVJSNAN-QMTHXVAHSA-N 1 2 390.221 2.650 20 5 GFBDLO O=C(NC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1)C1CC1 ZINC000602437453 565847420 /nfs/dbraw/zinc/84/74/20/565847420.db2.gz YDIGPEZCWNOHJZ-UHFFFAOYSA-N 1 2 388.287 2.909 20 5 GFBDLO Cn1cnnc1C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602448800 565848575 /nfs/dbraw/zinc/84/85/75/565848575.db2.gz QBHMQSRZFHSBMF-UHFFFAOYSA-N 1 2 386.275 2.927 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000610032557 566062673 /nfs/dbraw/zinc/06/26/73/566062673.db2.gz JXJFUXRLUBMKGL-UHFFFAOYSA-N 1 2 397.210 2.806 20 5 GFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820570407 599569492 /nfs/dbraw/zinc/56/94/92/599569492.db2.gz JGUSSNSJFOESQG-CYBMUJFWSA-N 1 2 397.414 2.797 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CC2)CC1 ZINC000131527726 654909601 /nfs/dbraw/zinc/90/96/01/654909601.db2.gz KMMFDHHHJGZMKI-UHFFFAOYSA-N 1 2 388.649 2.931 20 5 GFBDLO Cc1ccc([C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000119689501 655311309 /nfs/dbraw/zinc/31/13/09/655311309.db2.gz NUQMXYZQVGUERK-ZDUSSCGKSA-N 1 2 385.467 2.673 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000765639699 656146484 /nfs/dbraw/zinc/14/64/84/656146484.db2.gz DUJMDJAAHVZJTO-MNOVXSKESA-N 1 2 377.413 2.510 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000765639699 656146487 /nfs/dbraw/zinc/14/64/87/656146487.db2.gz DUJMDJAAHVZJTO-MNOVXSKESA-N 1 2 377.413 2.510 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000848509156 661658920 /nfs/dbraw/zinc/65/89/20/661658920.db2.gz UQNIDFPSOINVMH-QWHCGFSZSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000848509156 661658926 /nfs/dbraw/zinc/65/89/26/661658926.db2.gz UQNIDFPSOINVMH-QWHCGFSZSA-N 1 2 391.852 2.683 20 5 GFBDLO O=C1OCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000852720678 661871618 /nfs/dbraw/zinc/87/16/18/661871618.db2.gz PTXXQZOMEAPJMR-UHFFFAOYSA-N 1 2 384.230 2.774 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000859346951 662155095 /nfs/dbraw/zinc/15/50/95/662155095.db2.gz HQRZJICAWHEKQH-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000859346951 662155098 /nfs/dbraw/zinc/15/50/98/662155098.db2.gz HQRZJICAWHEKQH-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571269 662899094 /nfs/dbraw/zinc/89/90/94/662899094.db2.gz PHXLOYUOAHAXKC-PXAZEXFGSA-N 1 2 399.285 2.627 20 5 GFBDLO C[C@](O)(C[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571269 662899095 /nfs/dbraw/zinc/89/90/95/662899095.db2.gz PHXLOYUOAHAXKC-PXAZEXFGSA-N 1 2 399.285 2.627 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000906199785 663931009 /nfs/dbraw/zinc/93/10/09/663931009.db2.gz MRKSBZJHISKSJA-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO O=C(C[N@H+]1CCC[C@H]1CCCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120344323 551219533 /nfs/dbraw/zinc/21/95/33/551219533.db2.gz WMMNZHCBIKFFJJ-NSHDSACASA-N 1 2 386.246 2.533 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@H]1CCCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120344323 551219535 /nfs/dbraw/zinc/21/95/35/551219535.db2.gz WMMNZHCBIKFFJJ-NSHDSACASA-N 1 2 386.246 2.533 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124125161 551311031 /nfs/dbraw/zinc/31/10/31/551311031.db2.gz WXWULGSALHSIER-SCZZXKLOSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124125161 551311032 /nfs/dbraw/zinc/31/10/32/551311032.db2.gz WXWULGSALHSIER-SCZZXKLOSA-N 1 2 394.280 2.805 20 5 GFBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000128812355 551352849 /nfs/dbraw/zinc/35/28/49/551352849.db2.gz MROWYSLCFMFYNA-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703109 551438308 /nfs/dbraw/zinc/43/83/08/551438308.db2.gz FYJAVSUGFJQHES-MNOVXSKESA-N 1 2 386.246 2.531 20 5 GFBDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703109 551438310 /nfs/dbraw/zinc/43/83/10/551438310.db2.gz FYJAVSUGFJQHES-MNOVXSKESA-N 1 2 386.246 2.531 20 5 GFBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000160467010 551581174 /nfs/dbraw/zinc/58/11/74/551581174.db2.gz JINVPWGTJRCTFY-XQQFMLRXSA-N 1 2 399.289 2.830 20 5 GFBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000160467010 551581175 /nfs/dbraw/zinc/58/11/75/551581175.db2.gz JINVPWGTJRCTFY-XQQFMLRXSA-N 1 2 399.289 2.830 20 5 GFBDLO COc1c(C)c[nH+]c(CN(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C ZINC000179577268 552196686 /nfs/dbraw/zinc/19/66/86/552196686.db2.gz OUZWKHJXJCNAJZ-UHFFFAOYSA-N 1 2 385.467 2.717 20 5 GFBDLO CC(C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000181585709 552261804 /nfs/dbraw/zinc/26/18/04/552261804.db2.gz PWRMKZBPMYWNHQ-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000182641054 552289376 /nfs/dbraw/zinc/28/93/76/552289376.db2.gz AOZVSNKQUCRJHR-RYUDHWBXSA-N 1 2 387.889 2.566 20 5 GFBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295591175 563255105 /nfs/dbraw/zinc/25/51/05/563255105.db2.gz WPOKMNNHOAXKKH-UHFFFAOYSA-N 1 2 379.225 2.597 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374384302 563370623 /nfs/dbraw/zinc/37/06/23/563370623.db2.gz AVKKGIZTZXCLLK-HNNXBMFYSA-N 1 2 391.225 2.539 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000431498447 563561621 /nfs/dbraw/zinc/56/16/21/563561621.db2.gz WKLYFBCOJXGMMJ-UHFFFAOYSA-N 1 2 394.225 2.908 20 5 GFBDLO O=C(C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642829 563762896 /nfs/dbraw/zinc/76/28/96/563762896.db2.gz COAXVRRMOHNTDF-RYUDHWBXSA-N 1 2 398.257 2.654 20 5 GFBDLO O=C(C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642829 563762897 /nfs/dbraw/zinc/76/28/97/563762897.db2.gz COAXVRRMOHNTDF-RYUDHWBXSA-N 1 2 398.257 2.654 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1[nH+]ccn1CC(F)(F)F ZINC000540286482 564244078 /nfs/dbraw/zinc/24/40/78/564244078.db2.gz BRDKNXHBQDFLGK-UHFFFAOYSA-N 1 2 380.124 2.545 20 5 GFBDLO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573885394 564657994 /nfs/dbraw/zinc/65/79/94/564657994.db2.gz RPDFRZXPQYOIDF-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@@]1(CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573885394 564657997 /nfs/dbraw/zinc/65/79/97/564657997.db2.gz RPDFRZXPQYOIDF-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000488490797 564711892 /nfs/dbraw/zinc/71/18/92/564711892.db2.gz FBQSPJWHLXEULY-GFCCVEGCSA-N 1 2 394.273 2.974 20 5 GFBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721905 564903988 /nfs/dbraw/zinc/90/39/88/564903988.db2.gz WKIZEILCQAMAQE-JTQLQIEISA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721905 564903985 /nfs/dbraw/zinc/90/39/85/564903985.db2.gz WKIZEILCQAMAQE-JTQLQIEISA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721906 564904506 /nfs/dbraw/zinc/90/45/06/564904506.db2.gz WKIZEILCQAMAQE-SNVBAGLBSA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721906 564904509 /nfs/dbraw/zinc/90/45/09/564904509.db2.gz WKIZEILCQAMAQE-SNVBAGLBSA-N 1 2 376.194 2.810 20 5 GFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)cn1 ZINC000560576390 564968232 /nfs/dbraw/zinc/96/82/32/564968232.db2.gz WCUYTCRKAYARDX-UHFFFAOYSA-N 1 2 393.241 2.780 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587062663 565120601 /nfs/dbraw/zinc/12/06/01/565120601.db2.gz WHAFBEGQMFBYJB-NSHDSACASA-N 1 2 379.214 2.607 20 5 GFBDLO C[C@@H]1COCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256884 565157091 /nfs/dbraw/zinc/15/70/91/565157091.db2.gz UUEBIBYUEYQNJG-SNVBAGLBSA-N 1 2 376.194 2.810 20 5 GFBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256884 565157088 /nfs/dbraw/zinc/15/70/88/565157088.db2.gz UUEBIBYUEYQNJG-SNVBAGLBSA-N 1 2 376.194 2.810 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599708623 565697524 /nfs/dbraw/zinc/69/75/24/565697524.db2.gz HFGQZZIVRLACSX-LLVKDONJSA-N 1 2 391.225 2.761 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599724838 565698441 /nfs/dbraw/zinc/69/84/41/565698441.db2.gz YREHSEIHOWYZEJ-SNVBAGLBSA-N 1 2 379.214 2.721 20 5 GFBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430164 565847258 /nfs/dbraw/zinc/84/72/58/565847258.db2.gz IUCOVDWYOVERKK-JTQLQIEISA-N 1 2 376.276 2.767 20 5 GFBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430164 565847261 /nfs/dbraw/zinc/84/72/61/565847261.db2.gz IUCOVDWYOVERKK-JTQLQIEISA-N 1 2 376.276 2.767 20 5 GFBDLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821690547 606159803 /nfs/dbraw/zinc/15/98/03/606159803.db2.gz POGOHZHIAXHMNU-UHFFFAOYSA-N 1 2 386.387 2.563 20 5 GFBDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821690547 606159805 /nfs/dbraw/zinc/15/98/05/606159805.db2.gz POGOHZHIAXHMNU-UHFFFAOYSA-N 1 2 386.387 2.563 20 5 GFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770442 608069418 /nfs/dbraw/zinc/06/94/18/608069418.db2.gz KMSOZZCDCCGXMA-SCLBCKFNSA-N 1 2 380.408 2.909 20 5 GFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770442 608069419 /nfs/dbraw/zinc/06/94/19/608069419.db2.gz KMSOZZCDCCGXMA-SCLBCKFNSA-N 1 2 380.408 2.909 20 5 GFBDLO Cc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000826271295 609563818 /nfs/dbraw/zinc/56/38/18/609563818.db2.gz LTWFMIWNRDRPHS-LBPRGKRZSA-N 1 2 395.427 2.996 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272464941 655113866 /nfs/dbraw/zinc/11/38/66/655113866.db2.gz MECBTMIQWBCMBU-NSHDSACASA-N 1 2 384.845 2.848 20 5 GFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000769901650 656299186 /nfs/dbraw/zinc/29/91/86/656299186.db2.gz QELAOWZBERPTMM-LBPRGKRZSA-N 1 2 384.845 2.779 20 5 GFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789766153 657888666 /nfs/dbraw/zinc/88/86/66/657888666.db2.gz WCBJXVUZLNZAFD-UHFFFAOYSA-N 1 2 386.290 2.900 20 5 GFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789766153 657888671 /nfs/dbraw/zinc/88/86/71/657888671.db2.gz WCBJXVUZLNZAFD-UHFFFAOYSA-N 1 2 386.290 2.900 20 5 GFBDLO COC[C@@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427348 658816961 /nfs/dbraw/zinc/81/69/61/658816961.db2.gz JWPIKQIEQGYJEE-LLVKDONJSA-N 1 2 398.257 2.629 20 5 GFBDLO COC[C@@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427348 658816965 /nfs/dbraw/zinc/81/69/65/658816965.db2.gz JWPIKQIEQGYJEE-LLVKDONJSA-N 1 2 398.257 2.629 20 5 GFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701191 659936465 /nfs/dbraw/zinc/93/64/65/659936465.db2.gz VHTNSRLHDPUHFS-STQMWFEESA-N 1 2 384.274 2.652 20 5 GFBDLO CC(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000812857984 660035738 /nfs/dbraw/zinc/03/57/38/660035738.db2.gz WFYYRHLIRZEGGK-CQSZACIVSA-N 1 2 390.267 2.988 20 5 GFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000848052780 661622600 /nfs/dbraw/zinc/62/26/00/661622600.db2.gz JFKHRXXJLUFMJX-SNVBAGLBSA-N 1 2 393.241 2.844 20 5 GFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000848052780 661622603 /nfs/dbraw/zinc/62/26/03/661622603.db2.gz JFKHRXXJLUFMJX-SNVBAGLBSA-N 1 2 393.241 2.844 20 5 GFBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874708038 662835624 /nfs/dbraw/zinc/83/56/24/662835624.db2.gz IRQOIEMMROIKKE-NSHDSACASA-N 1 2 376.240 2.742 20 5 GFBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874708038 662835625 /nfs/dbraw/zinc/83/56/25/662835625.db2.gz IRQOIEMMROIKKE-NSHDSACASA-N 1 2 376.240 2.742 20 5 GFBDLO C[C@H]([NH2+]Cc1cn(C)nc1I)c1cccc([N+](=O)[O-])c1 ZINC000894193892 663447843 /nfs/dbraw/zinc/44/78/43/663447843.db2.gz VSAYBDQCOABAQI-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO O=C1N[C@H](C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)CO1 ZINC000932772994 664836805 /nfs/dbraw/zinc/83/68/05/664836805.db2.gz JRDFYGVKFQLTIO-ZDUSSCGKSA-N 1 2 384.230 2.678 20 5 GFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001165008114 721708800 /nfs/dbraw/zinc/70/88/00/721708800.db2.gz AVCRTOFCQSUPDW-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001165008114 721708803 /nfs/dbraw/zinc/70/88/03/721708803.db2.gz AVCRTOFCQSUPDW-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001164917312 721814420 /nfs/dbraw/zinc/81/44/20/721814420.db2.gz KWBZBTSKOGCFLQ-UHFFFAOYSA-N 1 2 390.875 2.898 20 5 GFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758667 551662773 /nfs/dbraw/zinc/66/27/73/551662773.db2.gz NLQJLEKOMDGOHY-HNNXBMFYSA-N 1 2 394.225 2.682 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000173472994 552086081 /nfs/dbraw/zinc/08/60/81/552086081.db2.gz CKUFOCVJLCBFDX-ZDUSSCGKSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000173472994 552086083 /nfs/dbraw/zinc/08/60/83/552086083.db2.gz CKUFOCVJLCBFDX-ZDUSSCGKSA-N 1 2 378.230 2.834 20 5 GFBDLO O=c1c(Br)cn(Cc2[nH+]ccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000434650721 563633643 /nfs/dbraw/zinc/63/36/43/563633643.db2.gz QCTVMDUKPGBAFH-UHFFFAOYSA-N 1 2 375.182 2.753 20 5 GFBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000291606267 563749932 /nfs/dbraw/zinc/74/99/32/563749932.db2.gz XSPSERHFSXZHRD-ZJUUUORDSA-N 1 2 376.240 2.741 20 5 GFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292211097 563778711 /nfs/dbraw/zinc/77/87/11/563778711.db2.gz HYXDZCUHVBIDFT-ZYHUDNBSSA-N 1 2 388.251 2.837 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000365788460 563793673 /nfs/dbraw/zinc/79/36/73/563793673.db2.gz LFEMYEBFZHNOJI-QMMMGPOBSA-N 1 2 385.243 2.782 20 5 GFBDLO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)s1 ZINC000443516678 563808194 /nfs/dbraw/zinc/80/81/94/563808194.db2.gz GSODQCHJNUYSKA-UHFFFAOYSA-N 1 2 381.889 2.751 20 5 GFBDLO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445598338 563850911 /nfs/dbraw/zinc/85/09/11/563850911.db2.gz YETOYRAAJGWERQ-UHFFFAOYSA-N 1 2 389.209 2.812 20 5 GFBDLO Cc1c(Br)c(N2CC[NH+](CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000543436108 564350244 /nfs/dbraw/zinc/35/02/44/564350244.db2.gz GNLCZWQAPPCULC-UHFFFAOYSA-N 1 2 387.278 2.608 20 5 GFBDLO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1C ZINC000544078022 564373456 /nfs/dbraw/zinc/37/34/56/564373456.db2.gz VKFBJKVEAKGCLP-UHFFFAOYSA-N 1 2 382.214 2.896 20 5 GFBDLO C[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000583593022 564898683 /nfs/dbraw/zinc/89/86/83/564898683.db2.gz IBZRQJZBWSKJME-IINYFYTJSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000583593022 564898684 /nfs/dbraw/zinc/89/86/84/564898684.db2.gz IBZRQJZBWSKJME-IINYFYTJSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057539 565187617 /nfs/dbraw/zinc/18/76/17/565187617.db2.gz NCWDFCIRKGMIEB-CJNGLKHVSA-N 1 2 384.274 2.701 20 5 GFBDLO COc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000596086767 565513057 /nfs/dbraw/zinc/51/30/57/565513057.db2.gz BIFSGKOVPRDLFR-MRXNPFEDSA-N 1 2 387.889 2.877 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597013752 565545671 /nfs/dbraw/zinc/54/56/71/565545671.db2.gz LGLCQDOLRYOHSP-SNVBAGLBSA-N 1 2 396.220 2.973 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597013752 565545675 /nfs/dbraw/zinc/54/56/75/565545675.db2.gz LGLCQDOLRYOHSP-SNVBAGLBSA-N 1 2 396.220 2.973 20 5 GFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1Br ZINC000602494348 565853071 /nfs/dbraw/zinc/85/30/71/565853071.db2.gz NQKAOHACSYCXRA-UHFFFAOYSA-N 1 2 386.275 2.923 20 5 GFBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000832525503 660784385 /nfs/dbraw/zinc/78/43/85/660784385.db2.gz ZNDOYMRVSKFZTG-LBPRGKRZSA-N 1 2 375.878 2.661 20 5 GFBDLO Cc1c(Br)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000176738342 655254352 /nfs/dbraw/zinc/25/43/52/655254352.db2.gz FSKNRCKQORSKOT-UHFFFAOYSA-N 1 2 398.238 2.812 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC000739384474 655693521 /nfs/dbraw/zinc/69/35/21/655693521.db2.gz GRXSDONGMWGROJ-UHFFFAOYSA-N 1 2 397.210 2.806 20 5 GFBDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000801538102 659402618 /nfs/dbraw/zinc/40/26/18/659402618.db2.gz ADFXOMNRERWJBE-UHFFFAOYSA-N 1 2 380.246 2.845 20 5 GFBDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000801538102 659402622 /nfs/dbraw/zinc/40/26/22/659402622.db2.gz ADFXOMNRERWJBE-UHFFFAOYSA-N 1 2 380.246 2.845 20 5 GFBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@@H+]1C1CC1 ZINC000809395116 659926559 /nfs/dbraw/zinc/92/65/59/659926559.db2.gz HXRQFQJKDGUNQU-RKDXNWHRSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC000809395116 659926566 /nfs/dbraw/zinc/92/65/66/659926566.db2.gz HXRQFQJKDGUNQU-RKDXNWHRSA-N 1 2 394.280 2.805 20 5 GFBDLO CON(C)C(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000812780011 660034515 /nfs/dbraw/zinc/03/45/15/660034515.db2.gz PMGMHPLEJXCXPE-UHFFFAOYSA-N 1 2 386.246 2.589 20 5 GFBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013713 660101424 /nfs/dbraw/zinc/10/14/24/660101424.db2.gz XVBLVQLMEZGRNY-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013713 660101426 /nfs/dbraw/zinc/10/14/26/660101426.db2.gz XVBLVQLMEZGRNY-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1[N+](=O)[O-] ZINC000894370925 663458720 /nfs/dbraw/zinc/45/87/20/663458720.db2.gz RUCRHRUWGNBCFI-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])c1=O ZINC000931326068 664791880 /nfs/dbraw/zinc/79/18/80/664791880.db2.gz LOKQOMHRNANPHU-UHFFFAOYSA-N 1 2 396.241 2.995 20 5 GFBDLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])c1=O ZINC000931326068 664791881 /nfs/dbraw/zinc/79/18/81/664791881.db2.gz LOKQOMHRNANPHU-UHFFFAOYSA-N 1 2 396.241 2.995 20 5 GFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164916584 721813430 /nfs/dbraw/zinc/81/34/30/721813430.db2.gz IGQFEJHAOFULOK-UHFFFAOYSA-N 1 2 376.848 2.589 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000045809565 551148244 /nfs/dbraw/zinc/14/82/44/551148244.db2.gz GWISUUAITFWPQF-CYBMUJFWSA-N 1 2 389.886 2.891 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000066327393 551186218 /nfs/dbraw/zinc/18/62/18/551186218.db2.gz DERDDXCOPJLMNS-GFCCVEGCSA-N 1 2 389.886 2.891 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000161364192 551593459 /nfs/dbraw/zinc/59/34/59/551593459.db2.gz TYLBZDISMVRWHW-NSHDSACASA-N 1 2 391.225 2.761 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247693129 553124949 /nfs/dbraw/zinc/12/49/49/553124949.db2.gz SVMZQRZIKRTTSH-SMDDNHRTSA-N 1 2 384.845 2.717 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374375929 563370566 /nfs/dbraw/zinc/37/05/66/563370566.db2.gz UWKVVNOVFZRTKY-OAHLLOKOSA-N 1 2 391.225 2.539 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cccc([N+](=O)[O-])c1Br ZINC000377440869 563475397 /nfs/dbraw/zinc/47/53/97/563475397.db2.gz CKRLORSDJXYJAM-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO C[C@]12CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000284888847 563493973 /nfs/dbraw/zinc/49/39/73/563493973.db2.gz UEVXQOXGWYPIIR-KGLIPLIRSA-N 1 2 393.292 2.884 20 5 GFBDLO C[C@]12CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000284888847 563493977 /nfs/dbraw/zinc/49/39/77/563493977.db2.gz UEVXQOXGWYPIIR-KGLIPLIRSA-N 1 2 393.292 2.884 20 5 GFBDLO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000443986621 563817665 /nfs/dbraw/zinc/81/76/65/563817665.db2.gz ZXGABDXDLKSRNF-UHFFFAOYSA-N 1 2 375.878 2.649 20 5 GFBDLO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000443986621 563817668 /nfs/dbraw/zinc/81/76/68/563817668.db2.gz ZXGABDXDLKSRNF-UHFFFAOYSA-N 1 2 375.878 2.649 20 5 GFBDLO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450599582 564240274 /nfs/dbraw/zinc/24/02/74/564240274.db2.gz STYJRFVJSSGGRE-LBPRGKRZSA-N 1 2 375.516 2.982 20 5 GFBDLO O=C(Nc1ccncc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000543853225 564366847 /nfs/dbraw/zinc/36/68/47/564366847.db2.gz IAUZLJFTZAKRNX-UHFFFAOYSA-N 1 2 388.181 2.612 20 5 GFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456346505 564601403 /nfs/dbraw/zinc/60/14/03/564601403.db2.gz HGPNZSQXQZTPGO-SNVBAGLBSA-N 1 2 381.230 2.994 20 5 GFBDLO CCCN(CC[NH+]1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000520860408 564615035 /nfs/dbraw/zinc/61/50/35/564615035.db2.gz YPLPMHYRDLDPRT-UHFFFAOYSA-N 1 2 375.516 2.762 20 5 GFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000561123233 564984961 /nfs/dbraw/zinc/98/49/61/564984961.db2.gz GNWFBECYMHNGPV-HNNXBMFYSA-N 1 2 393.241 2.901 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000602822493 565868896 /nfs/dbraw/zinc/86/88/96/565868896.db2.gz QZLRBFOJXJQVJK-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000602822493 565868900 /nfs/dbraw/zinc/86/89/00/565868900.db2.gz QZLRBFOJXJQVJK-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCS(=O)CC1 ZINC000610952735 566108123 /nfs/dbraw/zinc/10/81/23/566108123.db2.gz QEWXJZUNNRSQGP-UHFFFAOYSA-N 1 2 379.404 2.868 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000611185860 566119533 /nfs/dbraw/zinc/11/95/33/566119533.db2.gz UECCTDQWZWSBBY-UHFFFAOYSA-N 1 2 384.255 2.639 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000611185860 566119540 /nfs/dbraw/zinc/11/95/40/566119540.db2.gz UECCTDQWZWSBBY-UHFFFAOYSA-N 1 2 384.255 2.639 20 5 GFBDLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236224 608069031 /nfs/dbraw/zinc/06/90/31/608069031.db2.gz CTVITVRXCKWHBO-SFHVURJKSA-N 1 2 380.408 2.657 20 5 GFBDLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236224 608069032 /nfs/dbraw/zinc/06/90/32/608069032.db2.gz CTVITVRXCKWHBO-SFHVURJKSA-N 1 2 380.408 2.657 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826694652 660461673 /nfs/dbraw/zinc/46/16/73/660461673.db2.gz ASZWNURWICLIFB-CQSZACIVSA-N 1 2 391.225 2.669 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826694652 660461674 /nfs/dbraw/zinc/46/16/74/660461674.db2.gz ASZWNURWICLIFB-CQSZACIVSA-N 1 2 391.225 2.669 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000830593551 660666541 /nfs/dbraw/zinc/66/65/41/660666541.db2.gz BQNICTFXMUHTAH-SNVBAGLBSA-N 1 2 394.229 2.506 20 5 GFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608324 654539357 /nfs/dbraw/zinc/53/93/57/654539357.db2.gz YYWGBINIRIODAQ-SNVBAGLBSA-N 1 2 378.479 2.580 20 5 GFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608324 654539364 /nfs/dbraw/zinc/53/93/64/654539364.db2.gz YYWGBINIRIODAQ-SNVBAGLBSA-N 1 2 378.479 2.580 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268019734 654956152 /nfs/dbraw/zinc/95/61/52/654956152.db2.gz BIZJMLJGSAIOQW-NSHDSACASA-N 1 2 384.845 2.848 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769378454 656272932 /nfs/dbraw/zinc/27/29/32/656272932.db2.gz CHEFSQXULZKWEE-LBPRGKRZSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769378454 656272934 /nfs/dbraw/zinc/27/29/34/656272934.db2.gz CHEFSQXULZKWEE-LBPRGKRZSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000779214372 656906719 /nfs/dbraw/zinc/90/67/19/656906719.db2.gz CVCNGMPBCUQXEL-SECBINFHSA-N 1 2 399.632 2.952 20 5 GFBDLO C[C@]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000788021871 657635342 /nfs/dbraw/zinc/63/53/42/657635342.db2.gz VCAITDJBSDBCQJ-MRXNPFEDSA-N 1 2 378.226 2.848 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788805983 657786845 /nfs/dbraw/zinc/78/68/45/657786845.db2.gz MPSIDPULGZGEKI-RFAUZJTJSA-N 1 2 393.241 2.817 20 5 GFBDLO C[C@]1(Br)C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000892101582 663361678 /nfs/dbraw/zinc/36/16/78/663361678.db2.gz OIERJFZWSJFPIB-BBRMVZONSA-N 1 2 382.258 2.526 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000906198413 663930941 /nfs/dbraw/zinc/93/09/41/663930941.db2.gz BRSQFUGEJVXYQD-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000918736295 664503717 /nfs/dbraw/zinc/50/37/17/664503717.db2.gz XCKBABVZHXESOM-JTQLQIEISA-N 1 2 381.376 2.785 20 5 GFBDLO CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000918736295 664503721 /nfs/dbraw/zinc/50/37/21/664503721.db2.gz XCKBABVZHXESOM-JTQLQIEISA-N 1 2 381.376 2.785 20 5 GFBDLO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043820 721954919 /nfs/dbraw/zinc/95/49/19/721954919.db2.gz DBTMOPCNYXLAQF-UHFFFAOYSA-N 1 2 398.250 2.893 20 5 GFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758670 551662936 /nfs/dbraw/zinc/66/29/36/551662936.db2.gz NLQJLEKOMDGOHY-OAHLLOKOSA-N 1 2 394.225 2.682 20 5 GFBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000175505096 552123424 /nfs/dbraw/zinc/12/34/24/552123424.db2.gz RGYPMVFSSJVFMX-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1sccc1Cl ZINC000420971718 563292507 /nfs/dbraw/zinc/29/25/07/563292507.db2.gz JAKPKYVVFAZQEZ-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1sccc1Cl ZINC000420971718 563292509 /nfs/dbraw/zinc/29/25/09/563292509.db2.gz JAKPKYVVFAZQEZ-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374358063 563369463 /nfs/dbraw/zinc/36/94/63/563369463.db2.gz AGZDPGFPSRRGAW-SNVBAGLBSA-N 1 2 397.254 2.601 20 5 GFBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000301676880 563409537 /nfs/dbraw/zinc/40/95/37/563409537.db2.gz HUKLUHRXAQOSDY-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000302064680 563419542 /nfs/dbraw/zinc/41/95/42/563419542.db2.gz DOZKTBMMGGZDOD-UHFFFAOYSA-N 1 2 378.435 2.858 20 5 GFBDLO CCn1cc(C[N@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425471823 563423994 /nfs/dbraw/zinc/42/39/94/563423994.db2.gz HKMAHCUTBWYUMD-UHFFFAOYSA-N 1 2 383.246 2.568 20 5 GFBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425471823 563423996 /nfs/dbraw/zinc/42/39/96/563423996.db2.gz HKMAHCUTBWYUMD-UHFFFAOYSA-N 1 2 383.246 2.568 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000302711657 563428561 /nfs/dbraw/zinc/42/85/61/563428561.db2.gz LKEDFXKASPKFMZ-UHFFFAOYSA-N 1 2 380.813 2.912 20 5 GFBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378255385 563500701 /nfs/dbraw/zinc/50/07/01/563500701.db2.gz WLJNNKKRCFCYCK-NSHDSACASA-N 1 2 384.845 2.609 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000431077114 563553141 /nfs/dbraw/zinc/55/31/41/563553141.db2.gz NDMMUPQOSJGBSV-VHSXEESVSA-N 1 2 394.229 2.825 20 5 GFBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289824494 563688109 /nfs/dbraw/zinc/68/81/09/563688109.db2.gz OHAUIYPQWXOZLH-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289824494 563688111 /nfs/dbraw/zinc/68/81/11/563688111.db2.gz OHAUIYPQWXOZLH-IUODEOHRSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000291606255 563750175 /nfs/dbraw/zinc/75/01/75/563750175.db2.gz XSPSERHFSXZHRD-UWVGGRQHSA-N 1 2 376.240 2.741 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])n3C)[nH+]c12 ZINC000546112497 564445045 /nfs/dbraw/zinc/44/50/45/564445045.db2.gz LXJQAKGSBZPQDH-UHFFFAOYSA-N 1 2 392.213 2.582 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000521865909 564637348 /nfs/dbraw/zinc/63/73/48/564637348.db2.gz MQVQNIMVVFZJBJ-CQSZACIVSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000521865909 564637350 /nfs/dbraw/zinc/63/73/50/564637350.db2.gz MQVQNIMVVFZJBJ-CQSZACIVSA-N 1 2 382.258 2.944 20 5 GFBDLO Cn1cc[nH+]c1[C@H](NCc1n[nH]cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552058711 564675670 /nfs/dbraw/zinc/67/56/70/564675670.db2.gz XMJQWJUFQAZSKX-CQSZACIVSA-N 1 2 391.229 2.693 20 5 GFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632039 565693574 /nfs/dbraw/zinc/69/35/74/565693574.db2.gz RAOFRCITDIVLLT-MRDLRKQPSA-N 1 2 385.873 2.561 20 5 GFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632039 565693583 /nfs/dbraw/zinc/69/35/83/565693583.db2.gz RAOFRCITDIVLLT-MRDLRKQPSA-N 1 2 385.873 2.561 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599684209 565696586 /nfs/dbraw/zinc/69/65/86/565696586.db2.gz WFHHTXVOSUBQMU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599684209 565696589 /nfs/dbraw/zinc/69/65/89/565696589.db2.gz WFHHTXVOSUBQMU-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663212 565861529 /nfs/dbraw/zinc/86/15/29/565861529.db2.gz QUZYYEYJYMLBNY-GHMZBOCLSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663212 565861532 /nfs/dbraw/zinc/86/15/32/565861532.db2.gz QUZYYEYJYMLBNY-GHMZBOCLSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663212 565861534 /nfs/dbraw/zinc/86/15/34/565861534.db2.gz QUZYYEYJYMLBNY-GHMZBOCLSA-N 1 2 390.303 2.714 20 5 GFBDLO COc1ncc(Br)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731137 565866207 /nfs/dbraw/zinc/86/62/07/565866207.db2.gz JMJJVTALFAOMPW-INIZCTEOSA-N 1 2 396.241 2.758 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000602907647 565874582 /nfs/dbraw/zinc/87/45/82/565874582.db2.gz ZLPKFIKXOXHEKK-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000602907647 565874585 /nfs/dbraw/zinc/87/45/85/565874585.db2.gz ZLPKFIKXOXHEKK-UHFFFAOYSA-N 1 2 381.230 2.757 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000824533205 660396095 /nfs/dbraw/zinc/39/60/95/660396095.db2.gz BXSBRJVDVPPDSO-GFCCVEGCSA-N 1 2 384.177 2.631 20 5 GFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269120095 654998397 /nfs/dbraw/zinc/99/83/97/654998397.db2.gz DWOTYDJGPKMVHJ-UHFFFAOYSA-N 1 2 385.193 2.855 20 5 GFBDLO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000768181679 656234317 /nfs/dbraw/zinc/23/43/17/656234317.db2.gz VEMZHDMOSULPQV-LBPRGKRZSA-N 1 2 391.287 2.756 20 5 GFBDLO CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000768181679 656234320 /nfs/dbraw/zinc/23/43/20/656234320.db2.gz VEMZHDMOSULPQV-LBPRGKRZSA-N 1 2 391.287 2.756 20 5 GFBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788805980 657786807 /nfs/dbraw/zinc/78/68/07/657786807.db2.gz MPSIDPULGZGEKI-BJOHPYRUSA-N 1 2 393.241 2.817 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830307 659945991 /nfs/dbraw/zinc/94/59/91/659945991.db2.gz VMJICQMSAUJQJO-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830307 659945992 /nfs/dbraw/zinc/94/59/92/659945992.db2.gz VMJICQMSAUJQJO-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000896963059 663582879 /nfs/dbraw/zinc/58/28/79/663582879.db2.gz CTCGYNYZFAOPEW-SECBINFHSA-N 1 2 392.214 2.587 20 5 GFBDLO Cn1nc(Br)c2c1nc[nH+]c2NCCNc1ccccc1[N+](=O)[O-] ZINC000301190361 563395832 /nfs/dbraw/zinc/39/58/32/563395832.db2.gz RNDWEOXWOFITHL-UHFFFAOYSA-N 1 2 392.217 2.558 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1Br ZINC000377469221 563476074 /nfs/dbraw/zinc/47/60/74/563476074.db2.gz IRPHSRIPVYXVAL-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447655749 563884222 /nfs/dbraw/zinc/88/42/22/563884222.db2.gz FOYNIBUGZWWESD-LBPRGKRZSA-N 1 2 387.889 2.519 20 5 GFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000475719354 564317036 /nfs/dbraw/zinc/31/70/36/564317036.db2.gz HEQRJLDXPRQRKG-UHFFFAOYSA-N 1 2 375.182 2.935 20 5 GFBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933722 564868276 /nfs/dbraw/zinc/86/82/76/564868276.db2.gz SLZXWYADTIWLGD-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933722 564868280 /nfs/dbraw/zinc/86/82/80/564868280.db2.gz SLZXWYADTIWLGD-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000530931657 564897700 /nfs/dbraw/zinc/89/77/00/564897700.db2.gz HRMYISNRKMAILF-UHFFFAOYSA-N 1 2 390.204 2.884 20 5 GFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000531656909 564917365 /nfs/dbraw/zinc/91/73/65/564917365.db2.gz RNFKPWCEDHAWDA-ZIAGYGMSSA-N 1 2 385.262 2.808 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595639444 565485935 /nfs/dbraw/zinc/48/59/35/565485935.db2.gz YEXGSRRVENQKPA-SWHYSGLUSA-N 1 2 380.388 2.872 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595639444 565485938 /nfs/dbraw/zinc/48/59/38/565485938.db2.gz YEXGSRRVENQKPA-SWHYSGLUSA-N 1 2 380.388 2.872 20 5 GFBDLO COc1ccc(Br)cc1C1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602851479 565870444 /nfs/dbraw/zinc/87/04/44/565870444.db2.gz KITDSGKPJVZTOV-UHFFFAOYSA-N 1 2 381.230 2.878 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610263245 566074513 /nfs/dbraw/zinc/07/45/13/566074513.db2.gz HPICELZFPGOTJN-LLVKDONJSA-N 1 2 394.280 2.664 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000610263245 566074519 /nfs/dbraw/zinc/07/45/19/566074519.db2.gz HPICELZFPGOTJN-LLVKDONJSA-N 1 2 394.280 2.664 20 5 GFBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736817459 598754428 /nfs/dbraw/zinc/75/44/28/598754428.db2.gz AQVPERDELMKONZ-UHFFFAOYSA-N 1 2 390.407 2.728 20 5 GFBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736817459 598754430 /nfs/dbraw/zinc/75/44/30/598754430.db2.gz AQVPERDELMKONZ-UHFFFAOYSA-N 1 2 390.407 2.728 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269876354 655025706 /nfs/dbraw/zinc/02/57/06/655025706.db2.gz VHOMSZZSFLRXIZ-LBPRGKRZSA-N 1 2 391.225 2.761 20 5 GFBDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000839148127 661073694 /nfs/dbraw/zinc/07/36/94/661073694.db2.gz FDKGDYZICPRWFK-UHFFFAOYSA-N 1 2 383.857 2.836 20 5 GFBDLO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000271204636 655070432 /nfs/dbraw/zinc/07/04/32/655070432.db2.gz AEJYNXLQATZKMC-NSHDSACASA-N 1 2 375.497 2.836 20 5 GFBDLO CN(C)c1cc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc[nH+]1 ZINC000767584584 656210133 /nfs/dbraw/zinc/21/01/33/656210133.db2.gz IIJXXWIOPQCNFH-UHFFFAOYSA-N 1 2 381.186 2.570 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000795823153 658855359 /nfs/dbraw/zinc/85/53/59/658855359.db2.gz MRADKYNFVULIQT-JTQLQIEISA-N 1 2 388.808 2.610 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccco1 ZINC000798224750 659084077 /nfs/dbraw/zinc/08/40/77/659084077.db2.gz MCPZFWJELXHHFE-NSHDSACASA-N 1 2 391.808 2.562 20 5 GFBDLO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000809829621 659945730 /nfs/dbraw/zinc/94/57/30/659945730.db2.gz JSEBSSFCCBOAQF-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)C[N@H+]1C ZINC000809829621 659945738 /nfs/dbraw/zinc/94/57/38/659945738.db2.gz JSEBSSFCCBOAQF-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571271 662899220 /nfs/dbraw/zinc/89/92/20/662899220.db2.gz PHXLOYUOAHAXKC-SJKOYZFVSA-N 1 2 399.285 2.627 20 5 GFBDLO C[C@@](O)(C[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571271 662899221 /nfs/dbraw/zinc/89/92/21/662899221.db2.gz PHXLOYUOAHAXKC-SJKOYZFVSA-N 1 2 399.285 2.627 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H](O)CCC1(O)CCC1)CC2 ZINC000930365662 664768286 /nfs/dbraw/zinc/76/82/86/664768286.db2.gz ANDMTCHPIAPIIT-LBPRGKRZSA-N 1 2 399.285 2.772 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H](O)CCC1(O)CCC1)CC2 ZINC000930365662 664768287 /nfs/dbraw/zinc/76/82/87/664768287.db2.gz ANDMTCHPIAPIIT-LBPRGKRZSA-N 1 2 399.285 2.772 20 5 GFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001165009528 721701905 /nfs/dbraw/zinc/70/19/05/721701905.db2.gz AIFKCSAWRLSCBW-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001165009528 721701909 /nfs/dbraw/zinc/70/19/09/721701909.db2.gz AIFKCSAWRLSCBW-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165053512 722010998 /nfs/dbraw/zinc/01/09/98/722010998.db2.gz IQIQYLZIHKFNOM-UHFFFAOYSA-N 1 2 397.813 2.948 20 5 GFBDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011676926 551107182 /nfs/dbraw/zinc/10/71/82/551107182.db2.gz GNTOBIMWPQNQHL-UHFFFAOYSA-N 1 2 378.801 2.656 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000044790291 551144545 /nfs/dbraw/zinc/14/45/45/551144545.db2.gz IKCPLAFKARFAGL-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000130106498 551361914 /nfs/dbraw/zinc/36/19/14/551361914.db2.gz KYGULKCBCNDGHK-LBPRGKRZSA-N 1 2 393.241 2.536 20 5 GFBDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151558677 551416473 /nfs/dbraw/zinc/41/64/73/551416473.db2.gz UGVGNBIUIXONNT-UHFFFAOYSA-N 1 2 381.230 2.766 20 5 GFBDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151558677 551416475 /nfs/dbraw/zinc/41/64/75/551416475.db2.gz UGVGNBIUIXONNT-UHFFFAOYSA-N 1 2 381.230 2.766 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192257269 552557702 /nfs/dbraw/zinc/55/77/02/552557702.db2.gz GYFVANAYCXRNPB-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192257269 552557704 /nfs/dbraw/zinc/55/77/04/552557704.db2.gz GYFVANAYCXRNPB-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247644254 553124692 /nfs/dbraw/zinc/12/46/92/553124692.db2.gz ORVURFMOPYPZNJ-SMDDNHRTSA-N 1 2 384.845 2.717 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000295319336 563241702 /nfs/dbraw/zinc/24/17/02/563241702.db2.gz PNIZZMYOACSUOI-CYBMUJFWSA-N 1 2 384.845 2.754 20 5 GFBDLO Cn1nc(Br)c2c1nc[nH+]c2NCCNc1ccc([N+](=O)[O-])cc1 ZINC000301151038 563394465 /nfs/dbraw/zinc/39/44/65/563394465.db2.gz KINKBWCIDLLRPF-UHFFFAOYSA-N 1 2 392.217 2.558 20 5 GFBDLO CC[C@H]1C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000427738871 563473112 /nfs/dbraw/zinc/47/31/12/563473112.db2.gz BFSLSUXWYCVBLR-ZDUSSCGKSA-N 1 2 387.889 2.567 20 5 GFBDLO CC[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000427738871 563473117 /nfs/dbraw/zinc/47/31/17/563473117.db2.gz BFSLSUXWYCVBLR-ZDUSSCGKSA-N 1 2 387.889 2.567 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000284459344 563476215 /nfs/dbraw/zinc/47/62/15/563476215.db2.gz WLAFZJLAKUHSEZ-SNVBAGLBSA-N 1 2 381.230 2.928 20 5 GFBDLO Cc1c(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323102 563647656 /nfs/dbraw/zinc/64/76/56/563647656.db2.gz JOLXGARYKXPSDF-NSHDSACASA-N 1 2 394.229 2.999 20 5 GFBDLO O=c1c(Br)cn(Cc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000445595718 563850850 /nfs/dbraw/zinc/85/08/50/563850850.db2.gz GXLKBMNLPRDKII-UHFFFAOYSA-N 1 2 389.209 2.812 20 5 GFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cn4cc(Br)ccc4[nH+]3)nc2c1 ZINC000447690799 563884678 /nfs/dbraw/zinc/88/46/78/563884678.db2.gz LNLITNBIOHDOIZ-UHFFFAOYSA-N 1 2 387.197 2.915 20 5 GFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2c(cc1Br)OCCO2 ZINC000539281401 564215930 /nfs/dbraw/zinc/21/59/30/564215930.db2.gz RSPBCXAALIWRRH-VIFPVBQESA-N 1 2 397.229 2.713 20 5 GFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000451545037 564324450 /nfs/dbraw/zinc/32/44/50/564324450.db2.gz NPQSNTMBKJUXAQ-QMTHXVAHSA-N 1 2 386.246 2.653 20 5 GFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000451545037 564324451 /nfs/dbraw/zinc/32/44/51/564324451.db2.gz NPQSNTMBKJUXAQ-QMTHXVAHSA-N 1 2 386.246 2.653 20 5 GFBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850077 564491787 /nfs/dbraw/zinc/49/17/87/564491787.db2.gz GUKNIKIBWVSTJB-QPUJVOFHSA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850077 564491791 /nfs/dbraw/zinc/49/17/91/564491791.db2.gz GUKNIKIBWVSTJB-QPUJVOFHSA-N 1 2 394.280 2.663 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000580303362 564754989 /nfs/dbraw/zinc/75/49/89/564754989.db2.gz USFPDENBQBIHEY-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048603 564954372 /nfs/dbraw/zinc/95/43/72/564954372.db2.gz UIXXTPLAXVXPPE-CJNGLKHVSA-N 1 2 381.479 2.688 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048603 564954376 /nfs/dbraw/zinc/95/43/76/564954376.db2.gz UIXXTPLAXVXPPE-CJNGLKHVSA-N 1 2 381.479 2.688 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188875 565318891 /nfs/dbraw/zinc/31/88/91/565318891.db2.gz DQSDBZBNYNGTQN-DJLDLDEBSA-N 1 2 376.276 2.972 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188875 565318896 /nfs/dbraw/zinc/31/88/96/565318896.db2.gz DQSDBZBNYNGTQN-DJLDLDEBSA-N 1 2 376.276 2.972 20 5 GFBDLO Cn1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602820136 565869598 /nfs/dbraw/zinc/86/95/98/565869598.db2.gz GTOWMCDEBGOSTK-LBPRGKRZSA-N 1 2 378.738 2.824 20 5 GFBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000611790718 566143249 /nfs/dbraw/zinc/14/32/49/566143249.db2.gz KXVMATRQTDUOAC-UHFFFAOYSA-N 1 2 391.236 2.611 20 5 GFBDLO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757412 599058137 /nfs/dbraw/zinc/05/81/37/599058137.db2.gz AFQZLLBTZWTOKW-OAHLLOKOSA-N 1 2 389.366 2.768 20 5 GFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770440 608069531 /nfs/dbraw/zinc/06/95/31/608069531.db2.gz KMSOZZCDCCGXMA-ACJLOTCBSA-N 1 2 380.408 2.909 20 5 GFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770440 608069532 /nfs/dbraw/zinc/06/95/32/608069532.db2.gz KMSOZZCDCCGXMA-ACJLOTCBSA-N 1 2 380.408 2.909 20 5 GFBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824632790 608461519 /nfs/dbraw/zinc/46/15/19/608461519.db2.gz FCMUBGMUOOITSO-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176636831 655251571 /nfs/dbraw/zinc/25/15/71/655251571.db2.gz HEDFYYREUJUOIO-UHFFFAOYSA-N 1 2 375.878 2.519 20 5 GFBDLO O=C(CSc1ncccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCC2)cs1 ZINC000120427774 655335634 /nfs/dbraw/zinc/33/56/34/655335634.db2.gz JDPXOELHVWPKRF-UHFFFAOYSA-N 1 2 379.467 2.773 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000765739169 656149787 /nfs/dbraw/zinc/14/97/87/656149787.db2.gz QFMNZQWEUNWDPE-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000765739169 656149790 /nfs/dbraw/zinc/14/97/90/656149790.db2.gz QFMNZQWEUNWDPE-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000779892497 656957673 /nfs/dbraw/zinc/95/76/73/656957673.db2.gz ZLTZPCQZMDWZRB-GFCCVEGCSA-N 1 2 384.845 2.779 20 5 GFBDLO C[C@@]12CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(Cl)Cl ZINC000792905982 658328669 /nfs/dbraw/zinc/32/86/69/658328669.db2.gz NGZNDTPYNZTCAG-GOEBONIOSA-N 1 2 384.263 3.000 20 5 GFBDLO C[C@@]12CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(Cl)Cl ZINC000792905982 658328681 /nfs/dbraw/zinc/32/86/81/658328681.db2.gz NGZNDTPYNZTCAG-GOEBONIOSA-N 1 2 384.263 3.000 20 5 GFBDLO CO[C@@H]1C[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@@H]1C ZINC000795453545 658821413 /nfs/dbraw/zinc/82/14/13/658821413.db2.gz RGNPMFGAUAWNGS-ZUZCIYMTSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@@H]1C[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@@H]1C ZINC000795453545 658821423 /nfs/dbraw/zinc/82/14/23/658821423.db2.gz RGNPMFGAUAWNGS-ZUZCIYMTSA-N 1 2 398.257 2.627 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)C1 ZINC000809843574 659948388 /nfs/dbraw/zinc/94/83/88/659948388.db2.gz OAOVGJXJIOAZMM-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)C1 ZINC000809843574 659948392 /nfs/dbraw/zinc/94/83/92/659948392.db2.gz OAOVGJXJIOAZMM-SECBINFHSA-N 1 2 382.269 2.616 20 5 GFBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989537 660100338 /nfs/dbraw/zinc/10/03/38/660100338.db2.gz OJIYBXIDNFFYLS-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989537 660100339 /nfs/dbraw/zinc/10/03/39/660100339.db2.gz OJIYBXIDNFFYLS-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855408448 661990931 /nfs/dbraw/zinc/99/09/31/661990931.db2.gz UTYYFARDKYAHLY-ZJUUUORDSA-N 1 2 376.240 2.741 20 5 GFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855408448 661990933 /nfs/dbraw/zinc/99/09/33/661990933.db2.gz UTYYFARDKYAHLY-ZJUUUORDSA-N 1 2 376.240 2.741 20 5 GFBDLO O=[N+]([O-])c1c(Br)cccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000856729455 662039354 /nfs/dbraw/zinc/03/93/54/662039354.db2.gz LYFVGUWLDTXLQT-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000866002320 662455649 /nfs/dbraw/zinc/45/56/49/662455649.db2.gz SZZCPCSGNJOPFN-NSHDSACASA-N 1 2 381.230 2.549 20 5 GFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)s1 ZINC000895428736 663513847 /nfs/dbraw/zinc/51/38/47/663513847.db2.gz VLXQHIOQHMQKTB-UHFFFAOYSA-N 1 2 378.475 2.800 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165009669 721700254 /nfs/dbraw/zinc/70/02/54/721700254.db2.gz BWDKXIWOAYAQSI-UHFFFAOYSA-N 1 2 393.879 2.794 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165009669 721700257 /nfs/dbraw/zinc/70/02/57/721700257.db2.gz BWDKXIWOAYAQSI-UHFFFAOYSA-N 1 2 393.879 2.794 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000130305233 551363302 /nfs/dbraw/zinc/36/33/02/551363302.db2.gz LVENQGJWUKNLQY-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)s1 ZINC000153170095 551448111 /nfs/dbraw/zinc/44/81/11/551448111.db2.gz GPNNFOQPVUMJHU-UHFFFAOYSA-N 1 2 378.435 2.595 20 5 GFBDLO O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000160289675 551578906 /nfs/dbraw/zinc/57/89/06/551578906.db2.gz VYIRZCHEZVUMRX-UHFFFAOYSA-N 1 2 379.467 2.773 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000176685745 552144267 /nfs/dbraw/zinc/14/42/67/552144267.db2.gz VMXAXFXZMWTYRO-UHFFFAOYSA-N 1 2 384.845 2.779 20 5 GFBDLO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000301521499 563406114 /nfs/dbraw/zinc/40/61/14/563406114.db2.gz HADUXZCKTXKMLJ-GFCCVEGCSA-N 1 2 387.278 2.911 20 5 GFBDLO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000375713108 563415123 /nfs/dbraw/zinc/41/51/23/563415123.db2.gz WGNPQUATPVEVJH-MRVPVSSYSA-N 1 2 385.243 2.608 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)s1 ZINC000301941376 563416638 /nfs/dbraw/zinc/41/66/38/563416638.db2.gz VVGUVLYSLNKJPP-UHFFFAOYSA-N 1 2 384.414 2.730 20 5 GFBDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350361 563503971 /nfs/dbraw/zinc/50/39/71/563503971.db2.gz RRWQXWXKOOTYQC-ZDUSSCGKSA-N 1 2 382.258 2.848 20 5 GFBDLO O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350361 563503972 /nfs/dbraw/zinc/50/39/72/563503972.db2.gz RRWQXWXKOOTYQC-ZDUSSCGKSA-N 1 2 382.258 2.848 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)cc1Cl ZINC000290817345 563722696 /nfs/dbraw/zinc/72/26/96/563722696.db2.gz SSRVAVFMHSNDDJ-JTQLQIEISA-N 1 2 392.264 2.536 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291319635 563739080 /nfs/dbraw/zinc/73/90/80/563739080.db2.gz SLQPJWAYRVDXLA-CYBMUJFWSA-N 1 2 398.204 2.843 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291319635 563739081 /nfs/dbraw/zinc/73/90/81/563739081.db2.gz SLQPJWAYRVDXLA-CYBMUJFWSA-N 1 2 398.204 2.843 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000369352621 563893051 /nfs/dbraw/zinc/89/30/51/563893051.db2.gz KMSLFBOJXBSLSJ-NSHDSACASA-N 1 2 384.845 2.550 20 5 GFBDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000507952081 564248999 /nfs/dbraw/zinc/24/89/99/564248999.db2.gz SFGGQYAALHNKBA-UHFFFAOYSA-N 1 2 383.495 2.977 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897638 564363202 /nfs/dbraw/zinc/36/32/02/564363202.db2.gz IBWDYAWIXUDKCC-INIZCTEOSA-N 1 2 398.257 2.798 20 5 GFBDLO O=C(C[N@H+]1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897638 564363206 /nfs/dbraw/zinc/36/32/06/564363206.db2.gz IBWDYAWIXUDKCC-INIZCTEOSA-N 1 2 398.257 2.798 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC000479432186 564439785 /nfs/dbraw/zinc/43/97/85/564439785.db2.gz XRCSHAXYHDRFEP-UHFFFAOYSA-N 1 2 379.214 2.903 20 5 GFBDLO C[C@@H](O)C1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000569173436 564452074 /nfs/dbraw/zinc/45/20/74/564452074.db2.gz SNGNQSAXBXVXBJ-SNVBAGLBSA-N 1 2 390.221 2.792 20 5 GFBDLO COC[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255096 565157403 /nfs/dbraw/zinc/15/74/03/565157403.db2.gz GOZKABPUWBNJRQ-GFCCVEGCSA-N 1 2 376.194 2.810 20 5 GFBDLO COC[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255096 565157407 /nfs/dbraw/zinc/15/74/07/565157407.db2.gz GOZKABPUWBNJRQ-GFCCVEGCSA-N 1 2 376.194 2.810 20 5 GFBDLO CC(C)(CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[NH+]1CCS(=O)CC1 ZINC000590578866 565192746 /nfs/dbraw/zinc/19/27/46/565192746.db2.gz VGDCHGVGBZUXKA-UHFFFAOYSA-N 1 2 379.404 2.868 20 5 GFBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000594582624 565402163 /nfs/dbraw/zinc/40/21/63/565402163.db2.gz OSUWCFKAVQNUSR-UHFFFAOYSA-N 1 2 376.485 2.755 20 5 GFBDLO C[C@H]1C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000090 565588539 /nfs/dbraw/zinc/58/85/39/565588539.db2.gz XNSKQWDYPPQQJL-RYUDHWBXSA-N 1 2 387.889 2.566 20 5 GFBDLO C[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000090 565588542 /nfs/dbraw/zinc/58/85/42/565588542.db2.gz XNSKQWDYPPQQJL-RYUDHWBXSA-N 1 2 387.889 2.566 20 5 GFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(Br)cc3F)CC2)n1 ZINC000600155481 565716598 /nfs/dbraw/zinc/71/65/98/565716598.db2.gz DZNYQYAAIBYBEL-UHFFFAOYSA-N 1 2 384.209 2.925 20 5 GFBDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639245 565859835 /nfs/dbraw/zinc/85/98/35/565859835.db2.gz IEBOYOOPQUVDLA-JTQLQIEISA-N 1 2 378.292 2.571 20 5 GFBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639245 565859840 /nfs/dbraw/zinc/85/98/40/565859840.db2.gz IEBOYOOPQUVDLA-JTQLQIEISA-N 1 2 378.292 2.571 20 5 GFBDLO O=C([C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667428 565862856 /nfs/dbraw/zinc/86/28/56/565862856.db2.gz RNJRJWGJADYVEI-SNVBAGLBSA-N 1 2 388.287 2.863 20 5 GFBDLO O=C([C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667428 565862859 /nfs/dbraw/zinc/86/28/59/565862859.db2.gz RNJRJWGJADYVEI-SNVBAGLBSA-N 1 2 388.287 2.863 20 5 GFBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000736758340 599058673 /nfs/dbraw/zinc/05/86/73/599058673.db2.gz GGSZSYWEKQSUJV-OAHLLOKOSA-N 1 2 389.366 2.768 20 5 GFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)ccc1Cl ZINC000823634823 607176692 /nfs/dbraw/zinc/17/66/92/607176692.db2.gz MTGNTIBBLCHOSA-UHFFFAOYSA-N 1 2 399.842 2.751 20 5 GFBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000822788230 660354351 /nfs/dbraw/zinc/35/43/51/660354351.db2.gz DFZPTOPVKPFZKN-GHMZBOCLSA-N 1 2 391.225 2.769 20 5 GFBDLO 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394.229 2.596 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000056039053 551175830 /nfs/dbraw/zinc/17/58/30/551175830.db2.gz VJXYBVMQHYHNLS-ZDUSSCGKSA-N 1 2 389.886 2.891 20 5 GFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000056142872 551177557 /nfs/dbraw/zinc/17/75/57/551177557.db2.gz YAQQJJABYFZBKC-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000301153752 563394453 /nfs/dbraw/zinc/39/44/53/563394453.db2.gz MFTBDQWKNPTPKU-UHFFFAOYSA-N 1 2 393.201 2.655 20 5 GFBDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425451416 563423088 /nfs/dbraw/zinc/42/30/88/563423088.db2.gz BUCIHPLGTABSCT-UHFFFAOYSA-N 1 2 380.246 2.845 20 5 GFBDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425451416 563423091 /nfs/dbraw/zinc/42/30/91/563423091.db2.gz BUCIHPLGTABSCT-UHFFFAOYSA-N 1 2 380.246 2.845 20 5 GFBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)o1 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C[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000583593023 564898402 /nfs/dbraw/zinc/89/84/02/564898402.db2.gz IBZRQJZBWSKJME-QMTHXVAHSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000583593023 564898406 /nfs/dbraw/zinc/89/84/06/564898406.db2.gz IBZRQJZBWSKJME-QMTHXVAHSA-N 1 2 390.221 2.792 20 5 GFBDLO CC[C@@H](C)CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000465050093 564922254 /nfs/dbraw/zinc/92/22/54/564922254.db2.gz GWISDRVHTRBPDW-CYBMUJFWSA-N 1 2 387.527 2.669 20 5 GFBDLO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000589255084 565157570 /nfs/dbraw/zinc/15/75/70/565157570.db2.gz FPLBCZZZYQRLQG-UHFFFAOYSA-N 1 2 384.177 2.621 20 5 GFBDLO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000589255084 565157576 /nfs/dbraw/zinc/15/75/76/565157576.db2.gz FPLBCZZZYQRLQG-UHFFFAOYSA-N 1 2 384.177 2.621 20 5 GFBDLO C[C@@H]1C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595734094 565489428 /nfs/dbraw/zinc/48/94/28/565489428.db2.gz UWSIGWHGUJZOII-NXEZZACHSA-N 1 2 390.221 2.648 20 5 GFBDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595765542 565491260 /nfs/dbraw/zinc/49/12/60/565491260.db2.gz JDHYFXQVORDEEM-TVQRCGJNSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595765542 565491265 /nfs/dbraw/zinc/49/12/65/565491265.db2.gz JDHYFXQVORDEEM-TVQRCGJNSA-N 1 2 376.194 2.545 20 5 GFBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000610572231 566089174 /nfs/dbraw/zinc/08/91/74/566089174.db2.gz HIBHNDQWLYPWLI-UHFFFAOYSA-N 1 2 378.182 2.656 20 5 GFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000824673402 660398996 /nfs/dbraw/zinc/39/89/96/660398996.db2.gz SGAPHUGRMQANGZ-AWEZNQCLSA-N 1 2 397.273 2.940 20 5 GFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCCO1 ZINC000126213286 654810065 /nfs/dbraw/zinc/81/00/65/654810065.db2.gz HWZZXIYAEKKUSM-GFCCVEGCSA-N 1 2 386.246 2.797 20 5 GFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCCO1 ZINC000126213286 654810069 /nfs/dbraw/zinc/81/00/69/654810069.db2.gz HWZZXIYAEKKUSM-GFCCVEGCSA-N 1 2 386.246 2.797 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1Br ZINC000176736837 655254057 /nfs/dbraw/zinc/25/40/57/655254057.db2.gz AVVKJIJYLUTWFA-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840976446 661223871 /nfs/dbraw/zinc/22/38/71/661223871.db2.gz FPBNOYOBRRIBKP-JTQLQIEISA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840976446 661223877 /nfs/dbraw/zinc/22/38/77/661223877.db2.gz FPBNOYOBRRIBKP-JTQLQIEISA-N 1 2 389.271 2.695 20 5 GFBDLO C[C@]12CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(Cl)Cl ZINC000792910941 658328887 /nfs/dbraw/zinc/32/88/87/658328887.db2.gz WHVCXEDQFXRURM-ZBFHGGJFSA-N 1 2 384.263 3.000 20 5 GFBDLO C[C@]12CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(Cl)Cl 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CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000132399982 654936894 /nfs/dbraw/zinc/93/68/94/654936894.db2.gz HCSJHWHBQCSGFO-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000272548365 655116112 /nfs/dbraw/zinc/11/61/12/655116112.db2.gz SRYIZFRVVJONIL-UHFFFAOYSA-N 1 2 384.845 2.848 20 5 GFBDLO CS[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840115844 661134774 /nfs/dbraw/zinc/13/47/74/661134774.db2.gz XFZYJIFPXFFKGB-SNVBAGLBSA-N 1 2 386.271 2.708 20 5 GFBDLO CS[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840115844 661134779 /nfs/dbraw/zinc/13/47/79/661134779.db2.gz XFZYJIFPXFFKGB-SNVBAGLBSA-N 1 2 386.271 2.708 20 5 GFBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCN1 ZINC000769116822 656265639 /nfs/dbraw/zinc/26/56/39/656265639.db2.gz UUDOKQHROFVYMF-UHFFFAOYSA-N 1 2 394.225 2.939 20 5 GFBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCN1 ZINC000769116822 656265641 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C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094571 563647971 /nfs/dbraw/zinc/64/79/71/563647971.db2.gz SGWIRSMHQYEVEC-PWSUYJOCSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094571 563647974 /nfs/dbraw/zinc/64/79/74/563647974.db2.gz SGWIRSMHQYEVEC-PWSUYJOCSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333874 551186374 /nfs/dbraw/zinc/18/63/74/551186374.db2.gz YXKPVNLXNUMVJR-JSGCOSHPSA-N 1 2 381.479 2.770 20 5 GFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333874 551186376 /nfs/dbraw/zinc/18/63/76/551186376.db2.gz YXKPVNLXNUMVJR-JSGCOSHPSA-N 1 2 381.479 2.770 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000128197844 551347289 /nfs/dbraw/zinc/34/72/89/551347289.db2.gz GLIBZRBNLDGKHI-OCCSQVGLSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000128197844 551347291 /nfs/dbraw/zinc/34/72/91/551347291.db2.gz GLIBZRBNLDGKHI-OCCSQVGLSA-N 1 2 381.479 2.598 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)sc2C1 ZINC000171146905 551648432 /nfs/dbraw/zinc/64/84/32/551648432.db2.gz SBSRSCBHSOGNJV-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)sc2C1 ZINC000171146905 551648433 /nfs/dbraw/zinc/64/84/33/551648433.db2.gz SBSRSCBHSOGNJV-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC(C)[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182250275 552279588 /nfs/dbraw/zinc/27/95/88/552279588.db2.gz MEQMALLXFXVYNT-UHFFFAOYSA-N 1 2 383.495 2.778 20 5 GFBDLO CC(C)[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182250275 552279589 /nfs/dbraw/zinc/27/95/89/552279589.db2.gz MEQMALLXFXVYNT-UHFFFAOYSA-N 1 2 383.495 2.778 20 5 GFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261715857 553157357 /nfs/dbraw/zinc/15/73/57/553157357.db2.gz MYPMOOWNNLVATO-HNNXBMFYSA-N 1 2 381.841 2.583 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c12 ZINC000294885511 563219861 /nfs/dbraw/zinc/21/98/61/563219861.db2.gz GIRYSNGXFYXGQJ-UHFFFAOYSA-N 1 2 397.273 2.899 20 5 GFBDLO O=[N+]([O-])c1cncc(I)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000418843693 563227358 /nfs/dbraw/zinc/22/73/58/563227358.db2.gz IPXDSVKDJVXGIN-UHFFFAOYSA-N 1 2 399.192 2.632 20 5 GFBDLO CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000296057313 563272824 /nfs/dbraw/zinc/27/28/24/563272824.db2.gz OXWQMPNZXBKLKW-GFCCVEGCSA-N 1 2 376.797 2.786 20 5 GFBDLO CCN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000425488516 563424488 /nfs/dbraw/zinc/42/44/88/563424488.db2.gz WUEUMPJQAAFJFX-HNNXBMFYSA-N 1 2 394.273 2.959 20 5 GFBDLO Cn1c[nH+]cc1CCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286066921 563547815 /nfs/dbraw/zinc/54/78/15/563547815.db2.gz CZIKEEUJIINTEP-UHFFFAOYSA-N 1 2 393.241 2.608 20 5 GFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433005722 563600457 /nfs/dbraw/zinc/60/04/57/563600457.db2.gz CPOPSCNSOSQTDD-SNVBAGLBSA-N 1 2 394.229 2.745 20 5 GFBDLO COCC1=CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289455103 563674694 /nfs/dbraw/zinc/67/46/94/563674694.db2.gz FKQIHAKUTNNCKU-UHFFFAOYSA-N 1 2 388.205 2.978 20 5 GFBDLO COCC1=CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289455103 563674696 /nfs/dbraw/zinc/67/46/96/563674696.db2.gz FKQIHAKUTNNCKU-UHFFFAOYSA-N 1 2 388.205 2.978 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367093620 563830766 /nfs/dbraw/zinc/83/07/66/563830766.db2.gz UKNPTUYQQAHJPW-OAHLLOKOSA-N 1 2 391.225 2.539 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc([N+](=O)[O-])cn3C)[nH+]c12 ZINC000546114619 564445885 /nfs/dbraw/zinc/44/58/85/564445885.db2.gz FWBPZYXVVKGADD-UHFFFAOYSA-N 1 2 392.213 2.582 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000577106595 564725405 /nfs/dbraw/zinc/72/54/05/564725405.db2.gz PQOSZPIYICXUJH-UHFFFAOYSA-N 1 2 388.205 2.954 20 5 GFBDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000459652317 564754487 /nfs/dbraw/zinc/75/44/87/564754487.db2.gz WLGADUKNHWYEBI-UHFFFAOYSA-N 1 2 383.857 2.836 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000555510639 564796241 /nfs/dbraw/zinc/79/62/41/564796241.db2.gz DGMMYGJSIMBVKZ-OAHLLOKOSA-N 1 2 393.241 2.751 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000555510639 564796244 /nfs/dbraw/zinc/79/62/44/564796244.db2.gz DGMMYGJSIMBVKZ-OAHLLOKOSA-N 1 2 393.241 2.751 20 5 GFBDLO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462173594 564825600 /nfs/dbraw/zinc/82/56/00/564825600.db2.gz CZNHWHOVFMBGHQ-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462173594 564825605 /nfs/dbraw/zinc/82/56/05/564825605.db2.gz CZNHWHOVFMBGHQ-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000462872483 564861550 /nfs/dbraw/zinc/86/15/50/564861550.db2.gz DYDLATLAWXBROQ-LBPRGKRZSA-N 1 2 376.194 2.545 20 5 GFBDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000462872483 564861552 /nfs/dbraw/zinc/86/15/52/564861552.db2.gz DYDLATLAWXBROQ-LBPRGKRZSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1n[nH]cc1Br ZINC000531969666 564925999 /nfs/dbraw/zinc/92/59/99/564925999.db2.gz CNRCCYWRZASUQK-VIFPVBQESA-N 1 2 382.218 2.587 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135118 565030554 /nfs/dbraw/zinc/03/05/54/565030554.db2.gz FYHVNOUBNCOFJW-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135118 565030559 /nfs/dbraw/zinc/03/05/59/565030559.db2.gz FYHVNOUBNCOFJW-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000589017268 565146826 /nfs/dbraw/zinc/14/68/26/565146826.db2.gz PLELAENFSIRJSE-CYBMUJFWSA-N 1 2 379.214 2.972 20 5 GFBDLO Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057538 565187671 /nfs/dbraw/zinc/18/76/71/565187671.db2.gz NCWDFCIRKGMIEB-BBRMVZONSA-N 1 2 384.274 2.701 20 5 GFBDLO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057540 565187724 /nfs/dbraw/zinc/18/77/24/565187724.db2.gz NCWDFCIRKGMIEB-CZUORRHYSA-N 1 2 384.274 2.701 20 5 GFBDLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000594474532 565392426 /nfs/dbraw/zinc/39/24/26/565392426.db2.gz KGAXDNIBJVMHDH-UHFFFAOYSA-N 1 2 375.878 2.743 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1Br ZINC000602702057 565863517 /nfs/dbraw/zinc/86/35/17/565863517.db2.gz NEYALEIMOBVQKR-VIFPVBQESA-N 1 2 384.259 2.895 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1Br ZINC000602702057 565863520 /nfs/dbraw/zinc/86/35/20/565863520.db2.gz NEYALEIMOBVQKR-VIFPVBQESA-N 1 2 384.259 2.895 20 5 GFBDLO Cc1cccn2cc(CCNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c12 ZINC000611281317 566124620 /nfs/dbraw/zinc/12/46/20/566124620.db2.gz GVEMLJKKUDEEHC-UHFFFAOYSA-N 1 2 380.451 2.671 20 5 GFBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633358 608468905 /nfs/dbraw/zinc/46/89/05/608468905.db2.gz LOHRLLDGSKPZQB-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826694650 660461690 /nfs/dbraw/zinc/46/16/90/660461690.db2.gz ASZWNURWICLIFB-AWEZNQCLSA-N 1 2 391.225 2.669 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826694650 660461691 /nfs/dbraw/zinc/46/16/91/660461691.db2.gz ASZWNURWICLIFB-AWEZNQCLSA-N 1 2 391.225 2.669 20 5 GFBDLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC000831001291 660689861 /nfs/dbraw/zinc/68/98/61/660689861.db2.gz QTEQDBDDURQNLV-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC000831001291 660689864 /nfs/dbraw/zinc/68/98/64/660689864.db2.gz QTEQDBDDURQNLV-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000832525502 660784446 /nfs/dbraw/zinc/78/44/46/660784446.db2.gz ZNDOYMRVSKFZTG-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO CCSc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000014740044 654507825 /nfs/dbraw/zinc/50/78/25/654507825.db2.gz FIOLPVMYVISSRB-UHFFFAOYSA-N 1 2 376.423 2.996 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000119603199 655308508 /nfs/dbraw/zinc/30/85/08/655308508.db2.gz VHVXCCMSGLNVPD-UHFFFAOYSA-N 1 2 382.467 2.520 20 5 GFBDLO Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000120022989 655324804 /nfs/dbraw/zinc/32/48/04/655324804.db2.gz SYUCQGXAGIKJLQ-UHFFFAOYSA-N 1 2 385.467 2.706 20 5 GFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574866516 655432404 /nfs/dbraw/zinc/43/24/04/655432404.db2.gz REUPOPGSWUUMJL-UHFFFAOYSA-N 1 2 379.218 2.562 20 5 GFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574866516 655432406 /nfs/dbraw/zinc/43/24/06/655432406.db2.gz REUPOPGSWUUMJL-UHFFFAOYSA-N 1 2 379.218 2.562 20 5 GFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000746321079 655760161 /nfs/dbraw/zinc/76/01/61/655760161.db2.gz NNZZJNUTSDNFJA-UHFFFAOYSA-N 1 2 375.803 2.979 20 5 GFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000746321079 655760162 /nfs/dbraw/zinc/76/01/62/655760162.db2.gz NNZZJNUTSDNFJA-UHFFFAOYSA-N 1 2 375.803 2.979 20 5 GFBDLO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865366 657033991 /nfs/dbraw/zinc/03/39/91/657033991.db2.gz INBYVIFWYLNVOR-VIFPVBQESA-N 1 2 382.269 2.664 20 5 GFBDLO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865366 657033994 /nfs/dbraw/zinc/03/39/94/657033994.db2.gz INBYVIFWYLNVOR-VIFPVBQESA-N 1 2 382.269 2.664 20 5 GFBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791580 658851737 /nfs/dbraw/zinc/85/17/37/658851737.db2.gz KSVKRAZWGFHOAA-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791580 658851745 /nfs/dbraw/zinc/85/17/45/658851745.db2.gz KSVKRAZWGFHOAA-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(Br)cn1)OCCO2 ZINC000865810624 662444985 /nfs/dbraw/zinc/44/49/85/662444985.db2.gz HKXMUWIETLNDCQ-UHFFFAOYSA-N 1 2 380.198 2.813 20 5 GFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccncc3)CC2)c(Br)c1 ZINC000894844253 663484826 /nfs/dbraw/zinc/48/48/26/663484826.db2.gz XUQDGNCYMZQTBH-UHFFFAOYSA-N 1 2 392.257 2.512 20 5 GFBDLO Cc1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010204 721700287 /nfs/dbraw/zinc/70/02/87/721700287.db2.gz FPCPCVZJXVSCDC-UHFFFAOYSA-N 1 2 393.879 2.794 20 5 GFBDLO Cc1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010204 721700288 /nfs/dbraw/zinc/70/02/88/721700288.db2.gz FPCPCVZJXVSCDC-UHFFFAOYSA-N 1 2 393.879 2.794 20 5 GFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000126337438 551328659 /nfs/dbraw/zinc/32/86/59/551328659.db2.gz HELXYYPMWFJHEE-UHFFFAOYSA-N 1 2 379.214 2.984 20 5 GFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159835648 551572064 /nfs/dbraw/zinc/57/20/64/551572064.db2.gz HWBOUSDWOMHQFS-UHFFFAOYSA-N 1 2 379.214 2.748 20 5 GFBDLO CCN(CC)c1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000179569866 552196832 /nfs/dbraw/zinc/19/68/32/552196832.db2.gz MTLBVVRECPTNSE-UHFFFAOYSA-N 1 2 384.483 2.913 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[NH+]1CCCCC1 ZINC000301149978 563394560 /nfs/dbraw/zinc/39/45/60/563394560.db2.gz JIPPSGGRPNNBLS-UHFFFAOYSA-N 1 2 381.376 2.786 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000425434913 563422225 /nfs/dbraw/zinc/42/22/25/563422225.db2.gz RDGDVIZMTRSCQW-UHFFFAOYSA-N 1 2 380.246 2.861 20 5 GFBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000378252283 563500633 /nfs/dbraw/zinc/50/06/33/563500633.db2.gz OCHYWYOCDYIVKM-NSHDSACASA-N 1 2 384.845 2.609 20 5 GFBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000431170339 563556115 /nfs/dbraw/zinc/55/61/15/563556115.db2.gz BSVSQRRWMWRIEB-UHFFFAOYSA-N 1 2 394.225 2.908 20 5 GFBDLO O=C(NCc1c[nH+]c[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000479589911 564444545 /nfs/dbraw/zinc/44/45/45/564444545.db2.gz INOKDFLURCMTDW-UHFFFAOYSA-N 1 2 381.179 2.740 20 5 GFBDLO O=C(NCc1c[nH]c[nH+]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000479589911 564444550 /nfs/dbraw/zinc/44/45/50/564444550.db2.gz INOKDFLURCMTDW-UHFFFAOYSA-N 1 2 381.179 2.740 20 5 GFBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850078 564491812 /nfs/dbraw/zinc/49/18/12/564491812.db2.gz GUKNIKIBWVSTJB-UFBFGSQYSA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850078 564491816 /nfs/dbraw/zinc/49/18/16/564491816.db2.gz GUKNIKIBWVSTJB-UFBFGSQYSA-N 1 2 394.280 2.663 20 5 GFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C ZINC000480939606 564496590 /nfs/dbraw/zinc/49/65/90/564496590.db2.gz SSIHGKWGQZXFCH-OAHLLOKOSA-N 1 2 383.495 2.854 20 5 GFBDLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456377640 564604681 /nfs/dbraw/zinc/60/46/81/564604681.db2.gz LZDIYWIFXZDNSX-SECBINFHSA-N 1 2 376.276 2.975 20 5 GFBDLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456377640 564604687 /nfs/dbraw/zinc/60/46/87/564604687.db2.gz LZDIYWIFXZDNSX-SECBINFHSA-N 1 2 376.276 2.975 20 5 GFBDLO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616052817 565187254 /nfs/dbraw/zinc/18/72/54/565187254.db2.gz OLRXXOCYTYZODC-ZDUSSCGKSA-N 1 2 384.274 2.967 20 5 GFBDLO Cn1ncc(Br)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601143856 565768731 /nfs/dbraw/zinc/76/87/31/565768731.db2.gz LNXQGGAGADWZQU-UHFFFAOYSA-N 1 2 391.172 2.982 20 5 GFBDLO O=[N+]([O-])c1sc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000602431938 565847299 /nfs/dbraw/zinc/84/72/99/565847299.db2.gz GWJJHBLLQDYROP-LLVKDONJSA-N 1 2 390.303 2.715 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)c1 ZINC000826499457 608532966 /nfs/dbraw/zinc/53/29/66/608532966.db2.gz JHDSIKILACWDOH-UHFFFAOYSA-N 1 2 390.407 2.587 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)c1 ZINC000826499457 608532967 /nfs/dbraw/zinc/53/29/67/608532967.db2.gz JHDSIKILACWDOH-UHFFFAOYSA-N 1 2 390.407 2.587 20 5 GFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288122 608854597 /nfs/dbraw/zinc/85/45/97/608854597.db2.gz RWEQGMBPWUZJPY-SFHVURJKSA-N 1 2 380.408 2.657 20 5 GFBDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288122 608854599 /nfs/dbraw/zinc/85/45/99/608854599.db2.gz RWEQGMBPWUZJPY-SFHVURJKSA-N 1 2 380.408 2.657 20 5 GFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608327 654539434 /nfs/dbraw/zinc/53/94/34/654539434.db2.gz YYWGBINIRIODAQ-JTQLQIEISA-N 1 2 378.479 2.580 20 5 GFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608327 654539437 /nfs/dbraw/zinc/53/94/37/654539437.db2.gz YYWGBINIRIODAQ-JTQLQIEISA-N 1 2 378.479 2.580 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000268306738 654966401 /nfs/dbraw/zinc/96/64/01/654966401.db2.gz YGWSLMIPCPOPCO-UHFFFAOYSA-N 1 2 384.845 2.848 20 5 GFBDLO Cc1cccc(CCCNc2c(I)cncc2[N+](=O)[O-])[nH+]1 ZINC000418964637 655405957 /nfs/dbraw/zinc/40/59/57/655405957.db2.gz NJBUTWIOYVHKEW-UHFFFAOYSA-N 1 2 398.204 2.764 20 5 GFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)c[nH+]1 ZINC000747527070 655779985 /nfs/dbraw/zinc/77/99/85/655779985.db2.gz XDCXIPVPRLKBPN-UHFFFAOYSA-N 1 2 397.172 2.885 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000779436411 656926064 /nfs/dbraw/zinc/92/60/64/656926064.db2.gz IRTBTAMIYNRXOI-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000779436411 656926076 /nfs/dbraw/zinc/92/60/76/656926076.db2.gz IRTBTAMIYNRXOI-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO C[N@H+](C[C@H]1CCCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413211 658815302 /nfs/dbraw/zinc/81/53/02/658815302.db2.gz CWHLLMHYDOFFKL-GFCCVEGCSA-N 1 2 398.257 2.772 20 5 GFBDLO C[N@@H+](C[C@H]1CCCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413211 658815305 /nfs/dbraw/zinc/81/53/05/658815305.db2.gz CWHLLMHYDOFFKL-GFCCVEGCSA-N 1 2 398.257 2.772 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831344 659946336 /nfs/dbraw/zinc/94/63/36/659946336.db2.gz CWHLDFCOQRJQTH-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831344 659946337 /nfs/dbraw/zinc/94/63/37/659946337.db2.gz CWHLDFCOQRJQTH-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000815023344 660103218 /nfs/dbraw/zinc/10/32/18/660103218.db2.gz RTRUNTIQMFGMMX-UHFFFAOYSA-N 1 2 388.808 2.679 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848508116 661658400 /nfs/dbraw/zinc/65/84/00/661658400.db2.gz HTQZZODFDTWYBR-CHWSQXEVSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848508116 661658408 /nfs/dbraw/zinc/65/84/08/661658408.db2.gz HTQZZODFDTWYBR-CHWSQXEVSA-N 1 2 391.852 2.683 20 5 GFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000857949759 662095009 /nfs/dbraw/zinc/09/50/09/662095009.db2.gz DHFNUBQRSHABAX-VIFPVBQESA-N 1 2 399.632 2.952 20 5 GFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919104230 664508199 /nfs/dbraw/zinc/50/81/99/664508199.db2.gz NZJMLIKWDBNKRP-UHFFFAOYSA-N 1 2 393.241 2.749 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC000930367960 664768458 /nfs/dbraw/zinc/76/84/58/664768458.db2.gz QOQGZXJBRBMMOM-OHUAYANFSA-N 1 2 383.242 2.519 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC000930367960 664768459 /nfs/dbraw/zinc/76/84/59/664768459.db2.gz QOQGZXJBRBMMOM-OHUAYANFSA-N 1 2 383.242 2.519 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061821 664784382 /nfs/dbraw/zinc/78/43/82/664784382.db2.gz LPDQKZDHHRFQCP-ZDUSSCGKSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061821 664784383 /nfs/dbraw/zinc/78/43/83/664784383.db2.gz LPDQKZDHHRFQCP-ZDUSSCGKSA-N 1 2 385.262 2.545 20 5 GFBDLO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635646 552476340 /nfs/dbraw/zinc/47/63/40/552476340.db2.gz QERYRRFADQMFIB-OAHLLOKOSA-N 1 2 386.246 2.533 20 5 GFBDLO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635646 552476341 /nfs/dbraw/zinc/47/63/41/552476341.db2.gz QERYRRFADQMFIB-OAHLLOKOSA-N 1 2 386.246 2.533 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000236587557 553069122 /nfs/dbraw/zinc/06/91/22/553069122.db2.gz DXEPJQGNTGHVTB-CYBMUJFWSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000236587557 553069124 /nfs/dbraw/zinc/06/91/24/553069124.db2.gz DXEPJQGNTGHVTB-CYBMUJFWSA-N 1 2 378.230 2.834 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462074 563423585 /nfs/dbraw/zinc/42/35/85/563423585.db2.gz VYMIYRTVPOTUSC-DOMZBBRYSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462074 563423587 /nfs/dbraw/zinc/42/35/87/563423587.db2.gz VYMIYRTVPOTUSC-DOMZBBRYSA-N 1 2 384.274 2.652 20 5 GFBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378255383 563500450 /nfs/dbraw/zinc/50/04/50/563500450.db2.gz WLJNNKKRCFCYCK-LLVKDONJSA-N 1 2 384.845 2.609 20 5 GFBDLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000414389846 563732863 /nfs/dbraw/zinc/73/28/63/563732863.db2.gz UADOGFSGFYLXOF-UHFFFAOYSA-N 1 2 389.430 2.537 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C2 ZINC000365670404 563790564 /nfs/dbraw/zinc/79/05/64/563790564.db2.gz SXTNICIXMUMLJY-MRVPVSSYSA-N 1 2 385.243 2.669 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891276 564246837 /nfs/dbraw/zinc/24/68/37/564246837.db2.gz IEBPLBZSARGZIE-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891276 564246843 /nfs/dbraw/zinc/24/68/43/564246843.db2.gz IEBPLBZSARGZIE-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO CC[NH+]1C[C@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000567958475 564397446 /nfs/dbraw/zinc/39/74/46/564397446.db2.gz MQZYVVSAPKMEGJ-IUCAKERBSA-N 1 2 376.276 2.974 20 5 GFBDLO Cc1c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000479464504 564441364 /nfs/dbraw/zinc/44/13/64/564441364.db2.gz PBMUKAVZSXNRJL-HNNXBMFYSA-N 1 2 378.226 2.982 20 5 GFBDLO CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480700928 564483019 /nfs/dbraw/zinc/48/30/19/564483019.db2.gz SAUFPNNNAFFXQN-CQSZACIVSA-N 1 2 380.246 2.964 20 5 GFBDLO Cc1[nH+]ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1Br ZINC000525870746 564712383 /nfs/dbraw/zinc/71/23/83/564712383.db2.gz OZZWGQMLOMKXHO-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000557498047 564865190 /nfs/dbraw/zinc/86/51/90/564865190.db2.gz QPBKVIKJQGFCEZ-CYBMUJFWSA-N 1 2 379.214 2.972 20 5 GFBDLO COc1cc(CNc2cc(OC)c(Br)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000561301592 564989997 /nfs/dbraw/zinc/98/99/97/564989997.db2.gz HBPHFZVGFMAGGG-UHFFFAOYSA-N 1 2 384.186 2.509 20 5 GFBDLO O=[N+]([O-])c1cncc(I)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591364604 565226800 /nfs/dbraw/zinc/22/68/00/565226800.db2.gz CMRCBDSEDAYSQY-SNVBAGLBSA-N 1 2 399.192 2.632 20 5 GFBDLO C[C@](CO)([NH2+]Cc1ncc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150329 565768677 /nfs/dbraw/zinc/76/86/77/565768677.db2.gz VNSMWSSZACVFDS-OAHLLOKOSA-N 1 2 384.205 2.889 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000602763621 565868292 /nfs/dbraw/zinc/86/82/92/565868292.db2.gz MYBQMNGIGYZUNF-HNNXBMFYSA-N 1 2 395.257 2.936 20 5 GFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000602763621 565868296 /nfs/dbraw/zinc/86/82/96/565868296.db2.gz MYBQMNGIGYZUNF-HNNXBMFYSA-N 1 2 395.257 2.936 20 5 GFBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627451 608465568 /nfs/dbraw/zinc/46/55/68/608465568.db2.gz XIHOEEAPZFMZIA-NSHDSACASA-N 1 2 392.379 2.676 20 5 GFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Br ZINC000840130061 661137389 /nfs/dbraw/zinc/13/73/89/661137389.db2.gz JADBANKZEMINQE-YPMHNXCESA-N 1 2 385.262 2.792 20 5 GFBDLO O=[N+]([O-])c1nn(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Br ZINC000840130061 661137395 /nfs/dbraw/zinc/13/73/95/661137395.db2.gz JADBANKZEMINQE-YPMHNXCESA-N 1 2 385.262 2.792 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C2 ZINC000121052107 551226073 /nfs/dbraw/zinc/22/60/73/551226073.db2.gz NJWOVZLNFUCMEN-LBPRGKRZSA-N 1 2 393.241 2.915 20 5 GFBDLO Cc1c(Br)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000130011694 551360958 /nfs/dbraw/zinc/36/09/58/551360958.db2.gz COMWFQHSFSVIRI-SNVBAGLBSA-N 1 2 381.230 2.928 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000175869112 552130765 /nfs/dbraw/zinc/13/07/65/552130765.db2.gz LWXRYXPFXZXSMZ-UHFFFAOYSA-N 1 2 384.845 2.843 20 5 GFBDLO CC(C)(C)c1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000279188611 563287065 /nfs/dbraw/zinc/28/70/65/563287065.db2.gz SUAWHXGTMUGXNK-UHFFFAOYSA-N 1 2 383.495 2.912 20 5 GFBDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931858 563291534 /nfs/dbraw/zinc/29/15/34/563291534.db2.gz DORWDALZNRHGLM-ZYHUDNBSSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931858 563291535 /nfs/dbraw/zinc/29/15/35/563291535.db2.gz DORWDALZNRHGLM-ZYHUDNBSSA-N 1 2 390.221 2.650 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374470437 563373703 /nfs/dbraw/zinc/37/37/03/563373703.db2.gz JATOIOMYFACPNA-ZDUSSCGKSA-N 1 2 379.214 2.987 20 5 GFBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Sc3cccs3)c([N+](=O)[O-])c2)CC1 ZINC000301214956 563396607 /nfs/dbraw/zinc/39/66/07/563396607.db2.gz ZCEKYAVPXRETDI-UHFFFAOYSA-N 1 2 399.519 2.744 20 5 GFBDLO O=C1NCCCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425422716 563421666 /nfs/dbraw/zinc/42/16/66/563421666.db2.gz PPGJXILQAPNJJH-UHFFFAOYSA-N 1 2 397.273 2.737 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cc([N+](=O)[O-])ccc1Br ZINC000377437536 563475347 /nfs/dbraw/zinc/47/53/47/563475347.db2.gz DQZWERQJAJXVLB-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000378266057 563500486 /nfs/dbraw/zinc/50/04/86/563500486.db2.gz PVEYVYVFCRVVPK-SNVBAGLBSA-N 1 2 379.214 2.721 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000431123675 563554178 /nfs/dbraw/zinc/55/41/78/563554178.db2.gz DMDZQXGLKGIHFI-VHSXEESVSA-N 1 2 394.229 2.825 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431163053 563555343 /nfs/dbraw/zinc/55/53/43/563555343.db2.gz WAKBWGLXEJFLQI-UHFFFAOYSA-N 1 2 393.241 2.863 20 5 GFBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1csnn1 ZINC000412032296 563644789 /nfs/dbraw/zinc/64/47/89/563644789.db2.gz DGUNVNDSQIRYHV-ZETCQYMHSA-N 1 2 390.206 2.902 20 5 GFBDLO Cc1c(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000437237066 563691252 /nfs/dbraw/zinc/69/12/52/563691252.db2.gz BOHTZGPAUUMTCM-UHFFFAOYSA-N 1 2 377.344 2.777 20 5 GFBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)cc1Br ZINC000449486134 564189035 /nfs/dbraw/zinc/18/90/35/564189035.db2.gz STOZKXXKTZNHFT-JTQLQIEISA-N 1 2 396.245 2.598 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516341577 564499848 /nfs/dbraw/zinc/49/98/48/564499848.db2.gz IWVNFHRJBMQYAX-HNNXBMFYSA-N 1 2 383.857 2.829 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048602 564954733 /nfs/dbraw/zinc/95/47/33/564954733.db2.gz UIXXTPLAXVXPPE-BBRMVZONSA-N 1 2 381.479 2.688 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048602 564954736 /nfs/dbraw/zinc/95/47/36/564954736.db2.gz UIXXTPLAXVXPPE-BBRMVZONSA-N 1 2 381.479 2.688 20 5 GFBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000536135107 565030729 /nfs/dbraw/zinc/03/07/29/565030729.db2.gz FYHVNOUBNCOFJW-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000536135107 565030732 /nfs/dbraw/zinc/03/07/32/565030732.db2.gz FYHVNOUBNCOFJW-BDAKNGLRSA-N 1 2 382.269 2.615 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000589514154 565164844 /nfs/dbraw/zinc/16/48/44/565164844.db2.gz DXUNWZVJWVBEQI-LLVKDONJSA-N 1 2 388.205 2.668 20 5 GFBDLO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602455342 565848704 /nfs/dbraw/zinc/84/87/04/565848704.db2.gz WIZMXJMFUCYBQQ-SECBINFHSA-N 1 2 376.276 2.896 20 5 GFBDLO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602455342 565848707 /nfs/dbraw/zinc/84/87/07/565848707.db2.gz WIZMXJMFUCYBQQ-SECBINFHSA-N 1 2 376.276 2.896 20 5 GFBDLO CN(CCO)c1ccc(NCc2cc(Br)c([N+](=O)[O-])s2)[nH+]c1 ZINC000602569216 565855189 /nfs/dbraw/zinc/85/51/89/565855189.db2.gz PIGDSCBXCJJFRK-UHFFFAOYSA-N 1 2 387.259 2.854 20 5 GFBDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602669550 565861966 /nfs/dbraw/zinc/86/19/66/565861966.db2.gz JKSRNOCTRJXVGE-NSHDSACASA-N 1 2 380.388 2.870 20 5 GFBDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602669550 565861972 /nfs/dbraw/zinc/86/19/72/565861972.db2.gz JKSRNOCTRJXVGE-NSHDSACASA-N 1 2 380.388 2.870 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000602678043 565862046 /nfs/dbraw/zinc/86/20/46/565862046.db2.gz ARAARZLYJMGEKJ-BREBYQMCSA-N 1 2 391.287 2.781 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000602678043 565862052 /nfs/dbraw/zinc/86/20/52/565862052.db2.gz ARAARZLYJMGEKJ-BREBYQMCSA-N 1 2 391.287 2.781 20 5 GFBDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1Cl ZINC000613344438 566195370 /nfs/dbraw/zinc/19/53/70/566195370.db2.gz SPAZPSMSOKRPJD-UHFFFAOYSA-N 1 2 378.797 2.723 20 5 GFBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000736758338 599058927 /nfs/dbraw/zinc/05/89/27/599058927.db2.gz GGSZSYWEKQSUJV-HNNXBMFYSA-N 1 2 389.366 2.768 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000752247403 655841381 /nfs/dbraw/zinc/84/13/81/655841381.db2.gz PYBDDXIHQHGASQ-GFCCVEGCSA-N 1 2 384.845 2.779 20 5 GFBDLO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768193691 656234597 /nfs/dbraw/zinc/23/45/97/656234597.db2.gz JHLVOEYYIIBCOH-UHFFFAOYSA-N 1 2 382.214 2.699 20 5 GFBDLO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768193691 656234602 /nfs/dbraw/zinc/23/46/02/656234602.db2.gz JHLVOEYYIIBCOH-UHFFFAOYSA-N 1 2 382.214 2.699 20 5 GFBDLO COCC1CC[NH+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795429751 658817989 /nfs/dbraw/zinc/81/79/89/658817989.db2.gz VBFAMOZPXRKOOV-UHFFFAOYSA-N 1 2 398.257 2.629 20 5 GFBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829624 659945568 /nfs/dbraw/zinc/94/55/68/659945568.db2.gz JSEBSSFCCBOAQF-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829624 659945569 /nfs/dbraw/zinc/94/55/69/659945569.db2.gz JSEBSSFCCBOAQF-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000814977629 660099699 /nfs/dbraw/zinc/09/96/99/660099699.db2.gz VYWIPPVGAOZXPL-GFCCVEGCSA-N 1 2 391.808 2.562 20 5 GFBDLO CNC(=S)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000916023138 664447553 /nfs/dbraw/zinc/44/75/53/664447553.db2.gz RRMZHTBCFOARIF-UHFFFAOYSA-N 1 2 376.507 2.945 20 5 GFBDLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)O1 ZINC000923930228 664640257 /nfs/dbraw/zinc/64/02/57/664640257.db2.gz BDOUIKCSQPWUKV-ZANVPECISA-N 1 2 397.229 2.723 20 5 GFBDLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)O1 ZINC000923930228 664640258 /nfs/dbraw/zinc/64/02/58/664640258.db2.gz BDOUIKCSQPWUKV-ZANVPECISA-N 1 2 397.229 2.723 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000056035450 551176108 /nfs/dbraw/zinc/17/61/08/551176108.db2.gz OHVCVEFTZXJJPI-UHFFFAOYSA-N 1 2 384.776 2.514 20 5 GFBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000160467286 551580922 /nfs/dbraw/zinc/58/09/22/551580922.db2.gz JINVPWGTJRCTFY-UPJWGTAASA-N 1 2 399.289 2.830 20 5 GFBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174819602 552111048 /nfs/dbraw/zinc/11/10/48/552111048.db2.gz XFEFMDPTFLPNRT-UHFFFAOYSA-N 1 2 375.878 2.542 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000190492063 552497920 /nfs/dbraw/zinc/49/79/20/552497920.db2.gz UNFHOAORFKIXSE-LLVKDONJSA-N 1 2 391.225 2.761 20 5 GFBDLO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1sccc1Br ZINC000191432266 552528145 /nfs/dbraw/zinc/52/81/45/552528145.db2.gz YLCLQDRNABKCRZ-UHFFFAOYSA-N 1 2 389.275 2.764 20 5 GFBDLO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1sccc1Br ZINC000191432266 552528146 /nfs/dbraw/zinc/52/81/46/552528146.db2.gz YLCLQDRNABKCRZ-UHFFFAOYSA-N 1 2 389.275 2.764 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000373076828 563327753 /nfs/dbraw/zinc/32/77/53/563327753.db2.gz BBINYTCMYYPLPW-VIFPVBQESA-N 1 2 385.243 2.920 20 5 GFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)S1 ZINC000301683042 563410189 /nfs/dbraw/zinc/41/01/89/563410189.db2.gz SRIUSIBKLSUBGD-SNVBAGLBSA-N 1 2 385.287 2.971 20 5 GFBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000428428318 563492384 /nfs/dbraw/zinc/49/23/84/563492384.db2.gz WYCJCEMSTGJNNK-UHFFFAOYSA-N 1 2 386.499 2.825 20 5 GFBDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000431077111 563552852 /nfs/dbraw/zinc/55/28/52/563552852.db2.gz NDMMUPQOSJGBSV-NXEZZACHSA-N 1 2 394.229 2.825 20 5 GFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000511872626 564385127 /nfs/dbraw/zinc/38/51/27/564385127.db2.gz CGRPXCRRAHNNQG-UHFFFAOYSA-N 1 2 397.172 2.831 20 5 GFBDLO Cc1cc(=O)n(Cc2[nH+]c3ccc(Br)cc3n2C)cc1[N+](=O)[O-] ZINC000486028422 564636306 /nfs/dbraw/zinc/63/63/06/564636306.db2.gz MVOHULYSPRYWAJ-UHFFFAOYSA-N 1 2 377.198 2.762 20 5 GFBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459751066 564759939 /nfs/dbraw/zinc/75/99/39/564759939.db2.gz LSQHNCZVMSKHRJ-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000556568368 564831129 /nfs/dbraw/zinc/83/11/29/564831129.db2.gz HYPVNGCGMFHHOK-SNVBAGLBSA-N 1 2 379.214 2.607 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048604 564954496 /nfs/dbraw/zinc/95/44/96/564954496.db2.gz UIXXTPLAXVXPPE-CZUORRHYSA-N 1 2 381.479 2.688 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048604 564954502 /nfs/dbraw/zinc/95/45/02/564954502.db2.gz UIXXTPLAXVXPPE-CZUORRHYSA-N 1 2 381.479 2.688 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000596357663 565520927 /nfs/dbraw/zinc/52/09/27/565520927.db2.gz PHFOHXOMOOJPGA-UHFFFAOYSA-N 1 2 382.467 2.667 20 5 GFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632038 565694075 /nfs/dbraw/zinc/69/40/75/565694075.db2.gz RAOFRCITDIVLLT-RTHSOTIFSA-N 1 2 385.873 2.561 20 5 GFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632038 565694078 /nfs/dbraw/zinc/69/40/78/565694078.db2.gz RAOFRCITDIVLLT-RTHSOTIFSA-N 1 2 385.873 2.561 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599708625 565697438 /nfs/dbraw/zinc/69/74/38/565697438.db2.gz HFGQZZIVRLACSX-NSHDSACASA-N 1 2 391.225 2.761 20 5 GFBDLO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581736 607162819 /nfs/dbraw/zinc/16/28/19/607162819.db2.gz UHKOYCMSHPMJOV-ZDUSSCGKSA-N 1 2 388.819 2.538 20 5 GFBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824634730 608482230 /nfs/dbraw/zinc/48/22/30/608482230.db2.gz XMXAYQTVTMBCFC-NSHDSACASA-N 1 2 392.379 2.676 20 5 GFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824770032 608864248 /nfs/dbraw/zinc/86/42/48/608864248.db2.gz CRSXADPZRUQLQY-CYBMUJFWSA-N 1 2 397.414 2.797 20 5 GFBDLO O=[N+]([O-])c1ccnn1CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000129073146 654855791 /nfs/dbraw/zinc/85/57/91/654855791.db2.gz SQJIUSDKTUGADN-UHFFFAOYSA-N 1 2 384.267 2.916 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000129132793 654857495 /nfs/dbraw/zinc/85/74/95/654857495.db2.gz ZJKMVKOPJITXCW-UHFFFAOYSA-N 1 2 382.467 2.536 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839493694 661087222 /nfs/dbraw/zinc/08/72/22/661087222.db2.gz ZWHHCLLPZPBITF-CYBMUJFWSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839493694 661087223 /nfs/dbraw/zinc/08/72/23/661087223.db2.gz ZWHHCLLPZPBITF-CYBMUJFWSA-N 1 2 382.258 2.944 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000765739168 656149866 /nfs/dbraw/zinc/14/98/66/656149866.db2.gz QFMNZQWEUNWDPE-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000765739168 656149867 /nfs/dbraw/zinc/14/98/67/656149867.db2.gz QFMNZQWEUNWDPE-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000768936354 656261304 /nfs/dbraw/zinc/26/13/04/656261304.db2.gz CAEHTTXQTLHCQQ-ZDUSSCGKSA-N 1 2 384.274 2.654 20 5 GFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000804334098 659635072 /nfs/dbraw/zinc/63/50/72/659635072.db2.gz YNKNISSWNYGRRS-VIFPVBQESA-N 1 2 399.632 2.952 20 5 GFBDLO 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662878807 /nfs/dbraw/zinc/87/88/07/662878807.db2.gz SRVLAODJVVBPJV-VIFPVBQESA-N 1 2 390.259 2.693 20 5 GFBDLO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877555068 662878809 /nfs/dbraw/zinc/87/88/09/662878809.db2.gz SRVLAODJVVBPJV-VIFPVBQESA-N 1 2 390.259 2.693 20 5 GFBDLO C[C@@](O)(C[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571272 662899206 /nfs/dbraw/zinc/89/92/06/662899206.db2.gz PHXLOYUOAHAXKC-YVEFUNNKSA-N 1 2 399.285 2.627 20 5 GFBDLO C[C@@](O)(C[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000878571272 662899207 /nfs/dbraw/zinc/89/92/07/662899207.db2.gz PHXLOYUOAHAXKC-YVEFUNNKSA-N 1 2 399.285 2.627 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580261 662962863 /nfs/dbraw/zinc/96/28/63/662962863.db2.gz FRHICNIVVCGTQE-AWEZNQCLSA-N 1 2 385.258 2.721 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580261 662962864 /nfs/dbraw/zinc/96/28/64/662962864.db2.gz 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ZINC000158048936 551546215 /nfs/dbraw/zinc/54/62/15/551546215.db2.gz RLFWUFAUPKZQCL-UHFFFAOYSA-N 1 2 379.214 2.823 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374373266 563369845 /nfs/dbraw/zinc/36/98/45/563369845.db2.gz HGMGNCBMKRAQOJ-JTQLQIEISA-N 1 2 397.254 2.601 20 5 GFBDLO CC1(C)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000289656541 563682281 /nfs/dbraw/zinc/68/22/81/563682281.db2.gz XQVAYVKORXYTGF-ZDUSSCGKSA-N 1 2 390.221 2.792 20 5 GFBDLO CC1(C)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000289656541 563682285 /nfs/dbraw/zinc/68/22/85/563682285.db2.gz XQVAYVKORXYTGF-ZDUSSCGKSA-N 1 2 390.221 2.792 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000290788686 563721370 /nfs/dbraw/zinc/72/13/70/563721370.db2.gz QDQVNRYJHABZTA-SECBINFHSA-N 1 2 388.808 2.679 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCn2c[nH+]cc2C1 ZINC000365741867 563792120 /nfs/dbraw/zinc/79/21/20/563792120.db2.gz ILWZKQXUAMYHRD-UHFFFAOYSA-N 1 2 385.605 2.863 20 5 GFBDLO Cc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450395369 564230657 /nfs/dbraw/zinc/23/06/57/564230657.db2.gz SUJHQEZGJQSKTH-UHFFFAOYSA-N 1 2 392.257 2.778 20 5 GFBDLO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301515 564273505 /nfs/dbraw/zinc/27/35/05/564273505.db2.gz CXDPKTSMPWBRHH-CQSZACIVSA-N 1 2 381.479 2.551 20 5 GFBDLO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301515 564273509 /nfs/dbraw/zinc/27/35/09/564273509.db2.gz CXDPKTSMPWBRHH-CQSZACIVSA-N 1 2 381.479 2.551 20 5 GFBDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475448140 564308617 /nfs/dbraw/zinc/30/86/17/564308617.db2.gz VEFCYLHGUGBGTM-OAHLLOKOSA-N 1 2 378.226 2.982 20 5 GFBDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000567512446 564375182 /nfs/dbraw/zinc/37/51/82/564375182.db2.gz UQIXJHOMAVVHGK-GXTWGEPZSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000567512446 564375186 /nfs/dbraw/zinc/37/51/86/564375186.db2.gz UQIXJHOMAVVHGK-GXTWGEPZSA-N 1 2 381.479 2.598 20 5 GFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000570354021 564501559 /nfs/dbraw/zinc/50/15/59/564501559.db2.gz GKOXGYJVLASJFQ-UHFFFAOYSA-N 1 2 380.198 2.999 20 5 GFBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548697152 564571049 /nfs/dbraw/zinc/57/10/49/564571049.db2.gz LWACDUQIROECSV-SECBINFHSA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000486460545 564653308 /nfs/dbraw/zinc/65/33/08/564653308.db2.gz XMBAFTJIYRVFBK-DTWKUNHWSA-N 1 2 376.276 2.974 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000486460545 564653312 /nfs/dbraw/zinc/65/33/12/564653312.db2.gz XMBAFTJIYRVFBK-DTWKUNHWSA-N 1 2 376.276 2.974 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486644816 564661193 /nfs/dbraw/zinc/66/11/93/564661193.db2.gz JCCOOBKFLLXCHE-HNNXBMFYSA-N 1 2 375.878 2.517 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486644816 564661197 /nfs/dbraw/zinc/66/11/97/564661197.db2.gz JCCOOBKFLLXCHE-HNNXBMFYSA-N 1 2 375.878 2.517 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000582385127 564843909 /nfs/dbraw/zinc/84/39/09/564843909.db2.gz OUNAZWMGFDNLAR-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000462535596 564846540 /nfs/dbraw/zinc/84/65/40/564846540.db2.gz INYXQTICSJRZFU-UHFFFAOYSA-N 1 2 394.280 2.618 20 5 GFBDLO CS(=O)(=O)c1cccc(NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000497558351 564870886 /nfs/dbraw/zinc/87/08/86/564870886.db2.gz OKANIMLWRKJUEY-UHFFFAOYSA-N 1 2 380.813 2.912 20 5 GFBDLO Cc1sc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000467073299 564954883 /nfs/dbraw/zinc/95/48/83/564954883.db2.gz FTGSTJWGVXAFCX-UHFFFAOYSA-N 1 2 378.435 2.833 20 5 GFBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000469246625 565010683 /nfs/dbraw/zinc/01/06/83/565010683.db2.gz WFOGZCPZYPNMEQ-UHFFFAOYSA-N 1 2 392.405 2.951 20 5 GFBDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584747826 565094469 /nfs/dbraw/zinc/09/44/69/565094469.db2.gz BMHKRLXEPRJRSR-NXEZZACHSA-N 1 2 390.221 2.933 20 5 GFBDLO Cc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601335671 565777350 /nfs/dbraw/zinc/77/73/50/565777350.db2.gz PUJZLKHDPDNGSM-UHFFFAOYSA-N 1 2 398.388 2.544 20 5 GFBDLO Cn1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602820133 565869539 /nfs/dbraw/zinc/86/95/39/565869539.db2.gz GTOWMCDEBGOSTK-GFCCVEGCSA-N 1 2 378.738 2.824 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603239600 565890698 /nfs/dbraw/zinc/89/06/98/565890698.db2.gz HNAOFMRKKPKVML-UHFFFAOYSA-N 1 2 398.286 2.546 20 5 GFBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627264 608467071 /nfs/dbraw/zinc/46/70/71/608467071.db2.gz VOELUECRPSYHNH-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO Cc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000826271294 609563699 /nfs/dbraw/zinc/56/36/99/609563699.db2.gz LTWFMIWNRDRPHS-GFCCVEGCSA-N 1 2 395.427 2.996 20 5 GFBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854928 660683446 /nfs/dbraw/zinc/68/34/46/660683446.db2.gz JJUFOSGDRCYKPP-GZMMTYOYSA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854928 660683449 /nfs/dbraw/zinc/68/34/49/660683449.db2.gz JJUFOSGDRCYKPP-GZMMTYOYSA-N 1 2 394.280 2.663 20 5 GFBDLO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000129079437 654856110 /nfs/dbraw/zinc/85/61/10/654856110.db2.gz OWYFNJKUYIAYTJ-SNVBAGLBSA-N 1 2 375.497 2.836 20 5 GFBDLO 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C[C@@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000567512448 564375367 /nfs/dbraw/zinc/37/53/67/564375367.db2.gz UQIXJHOMAVVHGK-OCCSQVGLSA-N 1 2 381.479 2.598 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000521107352 564619028 /nfs/dbraw/zinc/61/90/28/564619028.db2.gz PEIUTHXCTYEKDH-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000521107352 564619032 /nfs/dbraw/zinc/61/90/32/564619032.db2.gz PEIUTHXCTYEKDH-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000488490798 564712305 /nfs/dbraw/zinc/71/23/05/564712305.db2.gz FBQSPJWHLXEULY-LBPRGKRZSA-N 1 2 394.273 2.974 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000462132144 564822313 /nfs/dbraw/zinc/82/23/13/564822313.db2.gz CXBBVRQGRBJZGA-UHFFFAOYSA-N 1 2 394.280 2.760 20 5 GFBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462471734 564842910 /nfs/dbraw/zinc/84/29/10/564842910.db2.gz GMLXXZZEDLBFGV-UHFFFAOYSA-N 1 2 396.296 2.864 20 5 GFBDLO CC(C)CCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000462948562 564863823 /nfs/dbraw/zinc/86/38/23/564863823.db2.gz WFSGYZIYVZXEBY-UHFFFAOYSA-N 1 2 387.527 2.669 20 5 GFBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352012 564935787 /nfs/dbraw/zinc/93/57/87/564935787.db2.gz QVLNKOKYHGGJKD-NSHDSACASA-N 1 2 378.397 2.505 20 5 GFBDLO COc1cc(C[N@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352012 564935791 /nfs/dbraw/zinc/93/57/91/564935791.db2.gz QVLNKOKYHGGJKD-NSHDSACASA-N 1 2 378.397 2.505 20 5 GFBDLO Nc1c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000468695712 564990542 /nfs/dbraw/zinc/99/05/42/564990542.db2.gz UCBNIIFEXAAKBM-UHFFFAOYSA-N 1 2 390.197 2.517 20 5 GFBDLO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616052816 565187313 /nfs/dbraw/zinc/18/73/13/565187313.db2.gz OLRXXOCYTYZODC-CYBMUJFWSA-N 1 2 384.274 2.967 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597013751 565545649 /nfs/dbraw/zinc/54/56/49/565545649.db2.gz LGLCQDOLRYOHSP-JTQLQIEISA-N 1 2 396.220 2.973 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597013751 565545653 /nfs/dbraw/zinc/54/56/53/565545653.db2.gz LGLCQDOLRYOHSP-JTQLQIEISA-N 1 2 396.220 2.973 20 5 GFBDLO C[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646857 565631419 /nfs/dbraw/zinc/63/14/19/565631419.db2.gz LTHKFAIRVOHERQ-JQWIXIFHSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646857 565631422 /nfs/dbraw/zinc/63/14/22/565631422.db2.gz LTHKFAIRVOHERQ-JQWIXIFHSA-N 1 2 390.221 2.650 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccncc3Br)C2)nc1 ZINC000599325231 565670051 /nfs/dbraw/zinc/67/00/51/565670051.db2.gz AGLZFHIOCVPOBG-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccncc3Br)C2)nc1 ZINC000599325231 565670054 /nfs/dbraw/zinc/67/00/54/565670054.db2.gz AGLZFHIOCVPOBG-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000604126862 565924428 /nfs/dbraw/zinc/92/44/28/565924428.db2.gz NEUXSRQBMFPZSP-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO Cc1cc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000609673486 566049553 /nfs/dbraw/zinc/04/95/53/566049553.db2.gz DDXWJOQCSRNWEB-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO COc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]cc1Br ZINC000611194162 566120557 /nfs/dbraw/zinc/12/05/57/566120557.db2.gz CJWPZOWSSIJFOU-UHFFFAOYSA-N 1 2 396.197 2.566 20 5 GFBDLO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757409 599058547 /nfs/dbraw/zinc/05/85/47/599058547.db2.gz AFQZLLBTZWTOKW-HNNXBMFYSA-N 1 2 389.366 2.768 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000271267472 655073677 /nfs/dbraw/zinc/07/36/77/655073677.db2.gz LSZXEBIRWJNPJY-UHFFFAOYSA-N 1 2 382.467 2.667 20 5 GFBDLO COC[C@@]1(C)CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840103960 661133192 /nfs/dbraw/zinc/13/31/92/661133192.db2.gz IQIMJKSRRRJOGL-INIZCTEOSA-N 1 2 398.257 2.629 20 5 GFBDLO COC[C@@]1(C)CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840103960 661133198 /nfs/dbraw/zinc/13/31/98/661133198.db2.gz IQIMJKSRRRJOGL-INIZCTEOSA-N 1 2 398.257 2.629 20 5 GFBDLO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788805986 657786471 /nfs/dbraw/zinc/78/64/71/657786471.db2.gz MPSIDPULGZGEKI-VFZGTOFNSA-N 1 2 393.241 2.817 20 5 GFBDLO Nc1cc(COC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000791841241 658191349 /nfs/dbraw/zinc/19/13/49/658191349.db2.gz VCSHPBNLLODACT-UHFFFAOYSA-N 1 2 399.144 2.534 20 5 GFBDLO CC(C)COC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792891524 658325811 /nfs/dbraw/zinc/32/58/11/658325811.db2.gz FKBBTSLRRQJPJG-LBPRGKRZSA-N 1 2 387.274 2.749 20 5 GFBDLO CC(C)COC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792891524 658325818 /nfs/dbraw/zinc/32/58/18/658325818.db2.gz FKBBTSLRRQJPJG-LBPRGKRZSA-N 1 2 387.274 2.749 20 5 GFBDLO CO[C@H]1C[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@H]1C ZINC000795453533 658821503 /nfs/dbraw/zinc/82/15/03/658821503.db2.gz RGNPMFGAUAWNGS-BMIGLBTASA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@H]1C[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@H]1C ZINC000795453533 658821510 /nfs/dbraw/zinc/82/15/10/658821510.db2.gz RGNPMFGAUAWNGS-BMIGLBTASA-N 1 2 398.257 2.627 20 5 GFBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412568 661718839 /nfs/dbraw/zinc/71/88/39/661718839.db2.gz RTMVXZCPOXYWNC-VIFPVBQESA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412568 661718841 /nfs/dbraw/zinc/71/88/41/661718841.db2.gz RTMVXZCPOXYWNC-VIFPVBQESA-N 1 2 379.841 2.538 20 5 GFBDLO Cc1cn(C(C)(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000899214360 663679902 /nfs/dbraw/zinc/67/99/02/663679902.db2.gz XMIMDNQLKNWMIU-UHFFFAOYSA-N 1 2 381.230 2.914 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929622989 664755006 /nfs/dbraw/zinc/75/50/06/664755006.db2.gz UBNOSUBWHMYPLZ-AWEZNQCLSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929622989 664755008 /nfs/dbraw/zinc/75/50/08/664755008.db2.gz UBNOSUBWHMYPLZ-AWEZNQCLSA-N 1 2 382.258 2.944 20 5 GFBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163339342 551619128 /nfs/dbraw/zinc/61/91/28/551619128.db2.gz NRNXLQCSGYPDMY-GFCCVEGCSA-N 1 2 375.878 2.542 20 5 GFBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163339342 551619129 /nfs/dbraw/zinc/61/91/29/551619129.db2.gz NRNXLQCSGYPDMY-GFCCVEGCSA-N 1 2 375.878 2.542 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000369416830 563213917 /nfs/dbraw/zinc/21/39/17/563213917.db2.gz JARXHBSMLKHLIN-LBPRGKRZSA-N 1 2 380.857 2.976 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1Cl ZINC000295260660 563239065 /nfs/dbraw/zinc/23/90/65/563239065.db2.gz RINZPOBTPPAUDB-SNVBAGLBSA-N 1 2 392.264 2.536 20 5 GFBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000420971714 563292337 /nfs/dbraw/zinc/29/23/37/563292337.db2.gz IYOHVDXAXUYBMI-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000420971714 563292339 /nfs/dbraw/zinc/29/23/39/563292339.db2.gz IYOHVDXAXUYBMI-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)CC2 ZINC000374667159 563379665 /nfs/dbraw/zinc/37/96/65/563379665.db2.gz YVGOYOJHRHTMGJ-UHFFFAOYSA-N 1 2 379.214 2.827 20 5 GFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)CC2 ZINC000375290778 563398381 /nfs/dbraw/zinc/39/83/81/563398381.db2.gz CGCKGWPPPYADLL-UHFFFAOYSA-N 1 2 379.214 2.827 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428004657 563480286 /nfs/dbraw/zinc/48/02/86/563480286.db2.gz HUDPCKNMOODNSG-LLVKDONJSA-N 1 2 379.214 2.607 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000431079766 563553015 /nfs/dbraw/zinc/55/30/15/563553015.db2.gz ZRZAJFDWTMFKLL-VHSXEESVSA-N 1 2 394.229 2.825 20 5 GFBDLO COCC(COC)[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000413483708 563693914 /nfs/dbraw/zinc/69/39/14/563693914.db2.gz XWDIEJSQVZTYJO-UHFFFAOYSA-N 1 2 378.256 2.685 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000362320727 563706165 /nfs/dbraw/zinc/70/61/65/563706165.db2.gz QNWQHPXKDOACRB-NSHDSACASA-N 1 2 382.467 2.536 20 5 GFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000362320726 563706293 /nfs/dbraw/zinc/70/62/93/563706293.db2.gz QNWQHPXKDOACRB-LLVKDONJSA-N 1 2 382.467 2.536 20 5 GFBDLO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642822 563762762 /nfs/dbraw/zinc/76/27/62/563762762.db2.gz COAXVRRMOHNTDF-NEPJUHHUSA-N 1 2 398.257 2.654 20 5 GFBDLO O=C(C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642822 563762763 /nfs/dbraw/zinc/76/27/63/563762763.db2.gz COAXVRRMOHNTDF-NEPJUHHUSA-N 1 2 398.257 2.654 20 5 GFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000366327225 563805657 /nfs/dbraw/zinc/80/56/57/563805657.db2.gz YIZSOXRYWCPLSP-SSDOTTSWSA-N 1 2 383.177 2.507 20 5 GFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000366327225 563805659 /nfs/dbraw/zinc/80/56/59/563805659.db2.gz YIZSOXRYWCPLSP-SSDOTTSWSA-N 1 2 383.177 2.507 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571233169 564541773 /nfs/dbraw/zinc/54/17/73/564541773.db2.gz FTZHGPOADNLKBA-UHFFFAOYSA-N 1 2 386.239 2.596 20 5 GFBDLO Cn1cnc([N+](=O)[O-])c1N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000575346242 564696851 /nfs/dbraw/zinc/69/68/51/564696851.db2.gz WVIYORFFUMNLNY-UHFFFAOYSA-N 1 2 395.217 2.587 20 5 GFBDLO NC(=O)c1cccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000553251749 564713666 /nfs/dbraw/zinc/71/36/66/564713666.db2.gz HMOCZWWLVHHXDV-UHFFFAOYSA-N 1 2 380.857 2.731 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2nccs2)c1 ZINC000583663323 564901317 /nfs/dbraw/zinc/90/13/17/564901317.db2.gz ZLOZJCKDLVLKQE-UHFFFAOYSA-N 1 2 375.191 2.946 20 5 GFBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460081 564901625 /nfs/dbraw/zinc/90/16/25/564901625.db2.gz WZMSWEYWIRDPDM-MFKMUULPSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460081 564901628 /nfs/dbraw/zinc/90/16/28/564901628.db2.gz WZMSWEYWIRDPDM-MFKMUULPSA-N 1 2 390.221 2.935 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464855993 564919514 /nfs/dbraw/zinc/91/95/14/564919514.db2.gz MGOBGNLULDYLSJ-ABAIWWIYSA-N 1 2 398.257 2.797 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464855993 564919518 /nfs/dbraw/zinc/91/95/18/564919518.db2.gz MGOBGNLULDYLSJ-ABAIWWIYSA-N 1 2 398.257 2.797 20 5 GFBDLO CO[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562034033 565016632 /nfs/dbraw/zinc/01/66/32/565016632.db2.gz PAWGMUHCJMLZQG-CYBMUJFWSA-N 1 2 376.194 2.810 20 5 GFBDLO CO[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562034033 565016634 /nfs/dbraw/zinc/01/66/34/565016634.db2.gz PAWGMUHCJMLZQG-CYBMUJFWSA-N 1 2 376.194 2.810 20 5 GFBDLO Cc1cn2c([nH+]1)CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC2 ZINC000589258859 565158714 /nfs/dbraw/zinc/15/87/14/565158714.db2.gz PNSOQLIAVAKSSB-UHFFFAOYSA-N 1 2 398.204 2.720 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000596112318 565514460 /nfs/dbraw/zinc/51/44/60/565514460.db2.gz NMIZRXRJBLKRFM-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO Cc1sc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000601850152 565806815 /nfs/dbraw/zinc/80/68/15/565806815.db2.gz AZXZBNAFQYEEON-UHFFFAOYSA-N 1 2 378.479 2.843 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1Br ZINC000602702056 565863458 /nfs/dbraw/zinc/86/34/58/565863458.db2.gz NEYALEIMOBVQKR-SECBINFHSA-N 1 2 384.259 2.895 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1Br ZINC000602702056 565863463 /nfs/dbraw/zinc/86/34/63/565863463.db2.gz NEYALEIMOBVQKR-SECBINFHSA-N 1 2 384.259 2.895 20 5 GFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1Br ZINC000602700896 565864088 /nfs/dbraw/zinc/86/40/88/565864088.db2.gz XCCOLFHXBVGLRA-UHFFFAOYSA-N 1 2 386.275 2.923 20 5 GFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738369789 598765952 /nfs/dbraw/zinc/76/59/52/598765952.db2.gz OQYFRGDULVBFBH-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627449 608465753 /nfs/dbraw/zinc/46/57/53/608465753.db2.gz XIHOEEAPZFMZIA-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000054220507 654758645 /nfs/dbraw/zinc/75/86/45/654758645.db2.gz YLDRPLNRGZGYKA-UHFFFAOYSA-N 1 2 377.491 2.923 20 5 GFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2sccc2C1 ZINC000054220507 654758650 /nfs/dbraw/zinc/75/86/50/654758650.db2.gz YLDRPLNRGZGYKA-UHFFFAOYSA-N 1 2 377.491 2.923 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000114742464 655228280 /nfs/dbraw/zinc/22/82/80/655228280.db2.gz LEZYAPHRLIMIDG-CQSZACIVSA-N 1 2 381.479 2.599 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000114742464 655228282 /nfs/dbraw/zinc/22/82/82/655228282.db2.gz LEZYAPHRLIMIDG-CQSZACIVSA-N 1 2 381.479 2.599 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176421216 655244828 /nfs/dbraw/zinc/24/48/28/655244828.db2.gz FJCSEYCSZVSMOQ-UHFFFAOYSA-N 1 2 384.845 2.814 20 5 GFBDLO CO[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000840127724 661137732 /nfs/dbraw/zinc/13/77/32/661137732.db2.gz YVTNJWOOGFXDQF-BMIGLBTASA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000840127724 661137737 /nfs/dbraw/zinc/13/77/37/661137737.db2.gz YVTNJWOOGFXDQF-BMIGLBTASA-N 1 2 398.257 2.627 20 5 GFBDLO O=[N+]([O-])c1ccc2nc(NC[C@@]3([NH+]4CCOCC4)CCSC3)sc2c1 ZINC000729634274 655566194 /nfs/dbraw/zinc/56/61/94/655566194.db2.gz QRRWSGZWFPWMPU-INIZCTEOSA-N 1 2 380.495 2.824 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000779917788 656964019 /nfs/dbraw/zinc/96/40/19/656964019.db2.gz NGYUDXIXVAPCSD-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000779917788 656964029 /nfs/dbraw/zinc/96/40/29/656964029.db2.gz NGYUDXIXVAPCSD-NEPJUHHUSA-N 1 2 375.878 2.660 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928311 658873617 /nfs/dbraw/zinc/87/36/17/658873617.db2.gz LNNZMNVFVNZOKC-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928311 658873627 /nfs/dbraw/zinc/87/36/27/658873627.db2.gz LNNZMNVFVNZOKC-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)ccc1Br ZINC000843415290 661380592 /nfs/dbraw/zinc/38/05/92/661380592.db2.gz IQVKGFBHTALMHL-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)ccc1Br ZINC000843415290 661380595 /nfs/dbraw/zinc/38/05/95/661380595.db2.gz IQVKGFBHTALMHL-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=C1OCCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000852719149 661871683 /nfs/dbraw/zinc/87/16/83/661871683.db2.gz GRRFIQVNHOTWOF-UHFFFAOYSA-N 1 2 384.230 2.774 20 5 GFBDLO C[N@@H+](CC1=CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853561977 661892810 /nfs/dbraw/zinc/89/28/10/661892810.db2.gz BGVRXVOMLLFAFQ-UHFFFAOYSA-N 1 2 396.241 2.549 20 5 GFBDLO C[N@H+](CC1=CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853561977 661892812 /nfs/dbraw/zinc/89/28/12/661892812.db2.gz BGVRXVOMLLFAFQ-UHFFFAOYSA-N 1 2 396.241 2.549 20 5 GFBDLO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000894647076 663474369 /nfs/dbraw/zinc/47/43/69/663474369.db2.gz OJVKYTQNDJVFNO-BLLLJJGKSA-N 1 2 382.258 2.526 20 5 GFBDLO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000359938410 206272143 /nfs/dbraw/zinc/27/21/43/206272143.db2.gz UJQSBKCECYDJKE-AWEZNQCLSA-N 1 2 393.407 2.630 20 5 GFBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000128198544 551347533 /nfs/dbraw/zinc/34/75/33/551347533.db2.gz GLIBZRBNLDGKHI-GXTWGEPZSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000128198544 551347536 /nfs/dbraw/zinc/34/75/36/551347536.db2.gz GLIBZRBNLDGKHI-GXTWGEPZSA-N 1 2 381.479 2.598 20 5 GFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178606294 552173012 /nfs/dbraw/zinc/17/30/12/552173012.db2.gz VCSJRZATCGMPKL-UHFFFAOYSA-N 1 2 375.182 2.935 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000182225585 552278880 /nfs/dbraw/zinc/27/88/80/552278880.db2.gz RHYNFMLMWALKNM-CYBMUJFWSA-N 1 2 381.479 2.705 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000182225585 552278883 /nfs/dbraw/zinc/27/88/83/552278883.db2.gz RHYNFMLMWALKNM-CYBMUJFWSA-N 1 2 381.479 2.705 20 5 GFBDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186834809 552398932 /nfs/dbraw/zinc/39/89/32/552398932.db2.gz URAQBDVXXLFXLC-UHFFFAOYSA-N 1 2 385.873 2.785 20 5 GFBDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186834809 552398934 /nfs/dbraw/zinc/39/89/34/552398934.db2.gz URAQBDVXXLFXLC-UHFFFAOYSA-N 1 2 385.873 2.785 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000425423279 563421572 /nfs/dbraw/zinc/42/15/72/563421572.db2.gz UGJWENGHHVXNQT-HNNXBMFYSA-N 1 2 384.274 2.654 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000425423279 563421577 /nfs/dbraw/zinc/42/15/77/563421577.db2.gz UGJWENGHHVXNQT-HNNXBMFYSA-N 1 2 384.274 2.654 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395285 563518717 /nfs/dbraw/zinc/51/87/17/563518717.db2.gz ARQMGEUBHUDAHQ-TZMCWYRMSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395285 563518719 /nfs/dbraw/zinc/51/87/19/563518719.db2.gz ARQMGEUBHUDAHQ-TZMCWYRMSA-N 1 2 384.274 2.652 20 5 GFBDLO Cn1ncc2c1nc[nH+]c2N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286274313 563553987 /nfs/dbraw/zinc/55/39/87/563553987.db2.gz CFMFCADIRRVAMF-UHFFFAOYSA-N 1 2 389.213 2.597 20 5 GFBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C2 ZINC000365662937 563790968 /nfs/dbraw/zinc/79/09/68/563790968.db2.gz KKBXUNFYUFHJFT-UHFFFAOYSA-N 1 2 385.243 2.888 20 5 GFBDLO COc1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c([N+](=O)[O-])cc1O ZINC000472582145 564227249 /nfs/dbraw/zinc/22/72/49/564227249.db2.gz PLZWGXOQINBPGN-UHFFFAOYSA-N 1 2 393.197 2.982 20 5 GFBDLO COc1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c([N+](=O)[O-])cc1O ZINC000472582145 564227252 /nfs/dbraw/zinc/22/72/52/564227252.db2.gz PLZWGXOQINBPGN-UHFFFAOYSA-N 1 2 393.197 2.982 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000544702163 564394440 /nfs/dbraw/zinc/39/44/40/564394440.db2.gz BHIPEEOPBVLATH-UHFFFAOYSA-N 1 2 376.214 2.785 20 5 GFBDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000478965128 564420418 /nfs/dbraw/zinc/42/04/18/564420418.db2.gz XKCKTGMCDBKLTO-HNNXBMFYSA-N 1 2 394.225 2.682 20 5 GFBDLO CCN1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000480691532 564482338 /nfs/dbraw/zinc/48/23/38/564482338.db2.gz VYIMLFHVQDKTPK-LBPRGKRZSA-N 1 2 395.261 2.667 20 5 GFBDLO CC[C@H](C)CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000465050094 564922550 /nfs/dbraw/zinc/92/25/50/564922550.db2.gz GWISDRVHTRBPDW-ZDUSSCGKSA-N 1 2 387.527 2.669 20 5 GFBDLO COc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)[nH+]c1 ZINC000589315625 565161639 /nfs/dbraw/zinc/16/16/39/565161639.db2.gz GGEIZUAOPHAPJT-UHFFFAOYSA-N 1 2 385.161 2.637 20 5 GFBDLO Nc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nc1[N+](=O)[O-] ZINC000590570647 565193176 /nfs/dbraw/zinc/19/31/76/565193176.db2.gz QZNWSVOBXGUIJQ-UHFFFAOYSA-N 1 2 398.286 2.718 20 5 GFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738368404 598765754 /nfs/dbraw/zinc/76/57/54/598765754.db2.gz DCPRQANFLWQTKZ-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827545039 660501621 /nfs/dbraw/zinc/50/16/21/660501621.db2.gz RNBMIKNEOSMXKY-LLVKDONJSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827545039 660501624 /nfs/dbraw/zinc/50/16/24/660501624.db2.gz RNBMIKNEOSMXKY-LLVKDONJSA-N 1 2 385.262 2.545 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)ccc1Br ZINC000093056465 655016955 /nfs/dbraw/zinc/01/69/55/655016955.db2.gz HAYQEMRKAXJDFJ-UHFFFAOYSA-N 1 2 392.257 2.860 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3ncccn3)CC2)ccc1Br ZINC000093056465 655016957 /nfs/dbraw/zinc/01/69/57/655016957.db2.gz HAYQEMRKAXJDFJ-UHFFFAOYSA-N 1 2 392.257 2.860 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839672093 661099543 /nfs/dbraw/zinc/09/95/43/661099543.db2.gz RQJXLFJEZAQHRX-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839672093 661099544 /nfs/dbraw/zinc/09/95/44/661099544.db2.gz RQJXLFJEZAQHRX-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176664247 655251874 /nfs/dbraw/zinc/25/18/74/655251874.db2.gz LVWFLNNNCKEACB-UHFFFAOYSA-N 1 2 387.889 2.806 20 5 GFBDLO Cc1ccc([C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000119689376 655311239 /nfs/dbraw/zinc/31/12/39/655311239.db2.gz NUQMXYZQVGUERK-CYBMUJFWSA-N 1 2 385.467 2.673 20 5 GFBDLO C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120015245 655324903 /nfs/dbraw/zinc/32/49/03/655324903.db2.gz CNAPBQUKXPIROB-UHFFFAOYSA-N 1 2 385.467 2.788 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000754218588 655865201 /nfs/dbraw/zinc/86/52/01/655865201.db2.gz KVEYCYWDWSKWMX-MRXNPFEDSA-N 1 2 378.226 2.844 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000754218588 655865202 /nfs/dbraw/zinc/86/52/02/655865202.db2.gz KVEYCYWDWSKWMX-MRXNPFEDSA-N 1 2 378.226 2.844 20 5 GFBDLO O=[N+]([O-])c1nn(CN2CCC(CCCn3cc[nH+]c3)CC2)cc1Br ZINC000782941627 657195034 /nfs/dbraw/zinc/19/50/34/657195034.db2.gz AOJQQFPPGJHBLM-UHFFFAOYSA-N 1 2 397.277 2.900 20 5 GFBDLO O=C(CCCn1cc[nH+]c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791244918 658071623 /nfs/dbraw/zinc/07/16/23/658071623.db2.gz NBCYRGPLIZSUBB-UHFFFAOYSA-N 1 2 393.241 2.919 20 5 GFBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000128198301 551347483 /nfs/dbraw/zinc/34/74/83/551347483.db2.gz GLIBZRBNLDGKHI-TZMCWYRMSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000128198301 551347484 /nfs/dbraw/zinc/34/74/84/551347484.db2.gz GLIBZRBNLDGKHI-TZMCWYRMSA-N 1 2 381.479 2.598 20 5 GFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000157801850 551542871 /nfs/dbraw/zinc/54/28/71/551542871.db2.gz AWMFEKCAGHYGBJ-HNNXBMFYSA-N 1 2 381.230 2.627 20 5 GFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000157801850 551542872 /nfs/dbraw/zinc/54/28/72/551542872.db2.gz AWMFEKCAGHYGBJ-HNNXBMFYSA-N 1 2 381.230 2.627 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 ZINC000172192623 551672981 /nfs/dbraw/zinc/67/29/81/551672981.db2.gz LGWXWUWXVXMPHP-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 ZINC000172192623 551672984 /nfs/dbraw/zinc/67/29/84/551672984.db2.gz LGWXWUWXVXMPHP-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000179754317 552201795 /nfs/dbraw/zinc/20/17/95/552201795.db2.gz NBFWXHNUPWWNNR-UHFFFAOYSA-N 1 2 394.229 2.596 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247795022 553125874 /nfs/dbraw/zinc/12/58/74/553125874.db2.gz ZNEMZDRAYBDLQK-BXUZGUMPSA-N 1 2 384.845 2.717 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1 ZINC000261621136 553154774 /nfs/dbraw/zinc/15/47/74/553154774.db2.gz DFQLDGBTOUIDRS-INIZCTEOSA-N 1 2 381.841 2.583 20 5 GFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000262174586 553166955 /nfs/dbraw/zinc/16/69/55/553166955.db2.gz AZHOSFREBXGUIO-MRXNPFEDSA-N 1 2 381.841 2.583 20 5 GFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286755949 563573767 /nfs/dbraw/zinc/57/37/67/563573767.db2.gz HEYDMPLWOANHDT-JTQLQIEISA-N 1 2 376.467 2.939 20 5 GFBDLO O=C(C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289865260 563689564 /nfs/dbraw/zinc/68/95/64/563689564.db2.gz LKQBXQHSDNFWRK-LBPRGKRZSA-N 1 2 384.223 2.984 20 5 GFBDLO O=C(C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289865260 563689565 /nfs/dbraw/zinc/68/95/65/563689565.db2.gz LKQBXQHSDNFWRK-LBPRGKRZSA-N 1 2 384.223 2.984 20 5 GFBDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000449470548 564188013 /nfs/dbraw/zinc/18/80/13/564188013.db2.gz KRIGXQLMBQXXEK-UHFFFAOYSA-N 1 2 383.857 2.788 20 5 GFBDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000479464505 564441705 /nfs/dbraw/zinc/44/17/05/564441705.db2.gz PBMUKAVZSXNRJL-OAHLLOKOSA-N 1 2 378.226 2.982 20 5 GFBDLO Cc1ccn(Cc2[nH+]c3ccc(Br)cc3n2C)c(=O)c1[N+](=O)[O-] ZINC000486012668 564635412 /nfs/dbraw/zinc/63/54/12/564635412.db2.gz BVUQZNUKBAHBAK-UHFFFAOYSA-N 1 2 377.198 2.762 20 5 GFBDLO O=C([C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667427 565862746 /nfs/dbraw/zinc/86/27/46/565862746.db2.gz RNJRJWGJADYVEI-JTQLQIEISA-N 1 2 388.287 2.863 20 5 GFBDLO O=C([C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667427 565862751 /nfs/dbraw/zinc/86/27/51/565862751.db2.gz RNJRJWGJADYVEI-JTQLQIEISA-N 1 2 388.287 2.863 20 5 GFBDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000609221832 566033467 /nfs/dbraw/zinc/03/34/67/566033467.db2.gz BZKCDTFYKFERRE-OAHLLOKOSA-N 1 2 394.225 2.682 20 5 GFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770443 608069673 /nfs/dbraw/zinc/06/96/73/608069673.db2.gz KMSOZZCDCCGXMA-UGSOOPFHSA-N 1 2 380.408 2.909 20 5 GFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770443 608069674 /nfs/dbraw/zinc/06/96/74/608069674.db2.gz KMSOZZCDCCGXMA-UGSOOPFHSA-N 1 2 380.408 2.909 20 5 GFBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000832524566 660784185 /nfs/dbraw/zinc/78/41/85/660784185.db2.gz QBIFUMZQVHRGAR-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])cc1F ZINC000574866383 655432413 /nfs/dbraw/zinc/43/24/13/655432413.db2.gz OUEJOGNGOQLAAD-UHFFFAOYSA-N 1 2 387.209 2.834 20 5 GFBDLO COc1cc(C[N@@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])cc1F ZINC000574866383 655432415 /nfs/dbraw/zinc/43/24/15/655432415.db2.gz OUEJOGNGOQLAAD-UHFFFAOYSA-N 1 2 387.209 2.834 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000754218584 655865235 /nfs/dbraw/zinc/86/52/35/655865235.db2.gz KVEYCYWDWSKWMX-INIZCTEOSA-N 1 2 378.226 2.844 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000754218584 655865237 /nfs/dbraw/zinc/86/52/37/655865237.db2.gz KVEYCYWDWSKWMX-INIZCTEOSA-N 1 2 378.226 2.844 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000756130586 655895513 /nfs/dbraw/zinc/89/55/13/655895513.db2.gz MKDDMZMOCREJED-VIFPVBQESA-N 1 2 397.204 2.860 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1C ZINC000765736905 656149490 /nfs/dbraw/zinc/14/94/90/656149490.db2.gz CYBJROKCYSVMDX-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1C ZINC000765736905 656149492 /nfs/dbraw/zinc/14/94/92/656149492.db2.gz CYBJROKCYSVMDX-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768181678 656234423 /nfs/dbraw/zinc/23/44/23/656234423.db2.gz VEMZHDMOSULPQV-GFCCVEGCSA-N 1 2 391.287 2.756 20 5 GFBDLO CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768181678 656234424 /nfs/dbraw/zinc/23/44/24/656234424.db2.gz VEMZHDMOSULPQV-GFCCVEGCSA-N 1 2 391.287 2.756 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000768887366 656259115 /nfs/dbraw/zinc/25/91/15/656259115.db2.gz SCOHMOUQKRKMPF-UHFFFAOYSA-N 1 2 384.483 2.734 20 5 GFBDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770686257 656326731 /nfs/dbraw/zinc/32/67/31/656326731.db2.gz XFZNHXOKWFCKDG-UHFFFAOYSA-N 1 2 385.873 2.785 20 5 GFBDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770686257 656326734 /nfs/dbraw/zinc/32/67/34/656326734.db2.gz XFZNHXOKWFCKDG-UHFFFAOYSA-N 1 2 385.873 2.785 20 5 GFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000779214373 656906089 /nfs/dbraw/zinc/90/60/89/656906089.db2.gz CVCNGMPBCUQXEL-VIFPVBQESA-N 1 2 399.632 2.952 20 5 GFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795645650 658839030 /nfs/dbraw/zinc/83/90/30/658839030.db2.gz VDCFPCOJTZBBCQ-UHFFFAOYSA-N 1 2 384.190 2.594 20 5 GFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795645650 658839033 /nfs/dbraw/zinc/83/90/33/658839033.db2.gz VDCFPCOJTZBBCQ-UHFFFAOYSA-N 1 2 384.190 2.594 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000798224575 659084041 /nfs/dbraw/zinc/08/40/41/659084041.db2.gz KHEUSAXGFZERQD-LBPRGKRZSA-N 1 2 391.808 2.562 20 5 GFBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000798226332 659085096 /nfs/dbraw/zinc/08/50/96/659085096.db2.gz HYPAIGRLCKUTBI-NSHDSACASA-N 1 2 393.868 2.786 20 5 GFBDLO Cc1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804809271 659685823 /nfs/dbraw/zinc/68/58/23/659685823.db2.gz VIYKJRPCTZFFPN-STQMWFEESA-N 1 2 384.274 2.965 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829622 659945611 /nfs/dbraw/zinc/94/56/11/659945611.db2.gz JSEBSSFCCBOAQF-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829622 659945616 /nfs/dbraw/zinc/94/56/16/659945616.db2.gz JSEBSSFCCBOAQF-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000814985652 660099930 /nfs/dbraw/zinc/09/99/30/660099930.db2.gz NQZOGHRLJUREEE-UHFFFAOYSA-N 1 2 391.852 2.636 20 5 GFBDLO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035616 660105350 /nfs/dbraw/zinc/10/53/50/660105350.db2.gz NPWYUPRJILRXHG-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854726867 661951711 /nfs/dbraw/zinc/95/17/11/661951711.db2.gz ROCJVUSGAPGSJK-LBPRGKRZSA-N 1 2 388.251 2.838 20 5 GFBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000860193464 662192201 /nfs/dbraw/zinc/19/22/01/662192201.db2.gz MGFNUOMQBBAKIM-JTQLQIEISA-N 1 2 396.296 2.663 20 5 GFBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000860193464 662192205 /nfs/dbraw/zinc/19/22/05/662192205.db2.gz MGFNUOMQBBAKIM-JTQLQIEISA-N 1 2 396.296 2.663 20 5 GFBDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000866630583 662485638 /nfs/dbraw/zinc/48/56/38/662485638.db2.gz SROUWPZVEKIHMT-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1)C1CC1 ZINC000929268395 664749131 /nfs/dbraw/zinc/74/91/31/664749131.db2.gz FKDSMFYDDWMRPD-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932250128 664815966 /nfs/dbraw/zinc/81/59/66/664815966.db2.gz BHYITRSCSFWTNV-HNNXBMFYSA-N 1 2 393.241 2.751 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932250128 664815968 /nfs/dbraw/zinc/81/59/68/664815968.db2.gz BHYITRSCSFWTNV-HNNXBMFYSA-N 1 2 393.241 2.751 20 5 GFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000033853113 206302860 /nfs/dbraw/zinc/30/28/60/206302860.db2.gz SQLVAEVKNQXAJV-OAHLLOKOSA-N 1 2 391.855 2.810 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000161364316 551593372 /nfs/dbraw/zinc/59/33/72/551593372.db2.gz TYLBZDISMVRWHW-LLVKDONJSA-N 1 2 391.225 2.761 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161529623 551595559 /nfs/dbraw/zinc/59/55/59/551595559.db2.gz YVFCTFSUAIROGN-UHFFFAOYSA-N 1 2 393.241 2.863 20 5 GFBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172175521 551672414 /nfs/dbraw/zinc/67/24/14/551672414.db2.gz ZDUHJKRCTLFJKQ-UHFFFAOYSA-N 1 2 375.878 2.542 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000371754552 563286805 /nfs/dbraw/zinc/28/68/05/563286805.db2.gz UKAXBFASFPYYCK-OAHLLOKOSA-N 1 2 378.226 2.966 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000371754552 563286807 /nfs/dbraw/zinc/28/68/07/563286807.db2.gz UKAXBFASFPYYCK-OAHLLOKOSA-N 1 2 378.226 2.966 20 5 GFBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374358062 563369552 /nfs/dbraw/zinc/36/95/52/563369552.db2.gz AGZDPGFPSRRGAW-JTQLQIEISA-N 1 2 397.254 2.601 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000374381883 563370470 /nfs/dbraw/zinc/37/04/70/563370470.db2.gz YGLMLBKFFMIFDO-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000374435489 563372594 /nfs/dbraw/zinc/37/25/94/563372594.db2.gz JHTLYSREAZJKCQ-NSHDSACASA-N 1 2 384.845 2.609 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301896732 563415633 /nfs/dbraw/zinc/41/56/33/563415633.db2.gz QOZUCCCBGGTXPY-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO O=C(NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1)C1CC1 ZINC000425406651 563421043 /nfs/dbraw/zinc/42/10/43/563421043.db2.gz NBVJMTLVWIGPNT-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO Cn1c[nH+]cc1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000350403783 563671993 /nfs/dbraw/zinc/67/19/93/563671993.db2.gz HUIWXPPQIABQDL-UHFFFAOYSA-N 1 2 378.186 2.655 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000290788689 563721357 /nfs/dbraw/zinc/72/13/57/563721357.db2.gz QDQVNRYJHABZTA-VIFPVBQESA-N 1 2 388.808 2.679 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000365531332 563786189 /nfs/dbraw/zinc/78/61/89/563786189.db2.gz DHKDBAVLHYEJEB-LLVKDONJSA-N 1 2 384.845 2.550 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368674564 563877058 /nfs/dbraw/zinc/87/70/58/563877058.db2.gz AJQKRWVSUASWQM-SECBINFHSA-N 1 2 380.202 2.759 20 5 GFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368674564 563877059 /nfs/dbraw/zinc/87/70/59/563877059.db2.gz AJQKRWVSUASWQM-SECBINFHSA-N 1 2 380.202 2.759 20 5 GFBDLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000549537411 564597492 /nfs/dbraw/zinc/59/74/92/564597492.db2.gz CBYNGLIENPAGRV-DTORHVGOSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000549537411 564597495 /nfs/dbraw/zinc/59/74/95/564597495.db2.gz CBYNGLIENPAGRV-DTORHVGOSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459751064 564759765 /nfs/dbraw/zinc/75/97/65/564759765.db2.gz LSQHNCZVMSKHRJ-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459782883 564761119 /nfs/dbraw/zinc/76/11/19/564761119.db2.gz YKTSSMDKURKALQ-RYUDHWBXSA-N 1 2 376.219 2.889 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459782883 564761121 /nfs/dbraw/zinc/76/11/21/564761121.db2.gz YKTSSMDKURKALQ-RYUDHWBXSA-N 1 2 376.219 2.889 20 5 GFBDLO Cc1noc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000589259683 565159343 /nfs/dbraw/zinc/15/93/43/565159343.db2.gz GPQGCYDOSAUYQD-ZETCQYMHSA-N 1 2 388.165 2.742 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188876 565318870 /nfs/dbraw/zinc/31/88/70/565318870.db2.gz DQSDBZBNYNGTQN-HLTSFMKQSA-N 1 2 376.276 2.972 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188876 565318875 /nfs/dbraw/zinc/31/88/75/565318875.db2.gz DQSDBZBNYNGTQN-HLTSFMKQSA-N 1 2 376.276 2.972 20 5 GFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357209 565520733 /nfs/dbraw/zinc/52/07/33/565520733.db2.gz NVHLKVICWNSQEO-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Br ZINC000602678044 565862347 /nfs/dbraw/zinc/86/23/47/565862347.db2.gz ARAARZLYJMGEKJ-CWSCBRNRSA-N 1 2 391.287 2.781 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Br ZINC000602678044 565862350 /nfs/dbraw/zinc/86/23/50/565862350.db2.gz ARAARZLYJMGEKJ-CWSCBRNRSA-N 1 2 391.287 2.781 20 5 GFBDLO COc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Br)cn1 ZINC000602963312 565877173 /nfs/dbraw/zinc/87/71/73/565877173.db2.gz VDKQWYKVEXYTMM-INIZCTEOSA-N 1 2 396.241 2.758 20 5 GFBDLO O=[N+]([O-])c1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1-c1nn[nH]n1 ZINC000823634202 607345576 /nfs/dbraw/zinc/34/55/76/607345576.db2.gz CQUDBAWEFZISKW-UHFFFAOYSA-N 1 2 399.842 2.751 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1Br ZINC000839550019 661091572 /nfs/dbraw/zinc/09/15/72/661091572.db2.gz GFDSGPAENKNGRC-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC3(CCOCC3)C2)c1Br ZINC000839550019 661091576 /nfs/dbraw/zinc/09/15/76/661091576.db2.gz GFDSGPAENKNGRC-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000779917789 656964213 /nfs/dbraw/zinc/96/42/13/656964213.db2.gz NGYUDXIXVAPCSD-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000779917789 656964222 /nfs/dbraw/zinc/96/42/22/656964222.db2.gz NGYUDXIXVAPCSD-NWDGAFQWSA-N 1 2 375.878 2.660 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928309 658873754 /nfs/dbraw/zinc/87/37/54/658873754.db2.gz LNNZMNVFVNZOKC-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928309 658873758 /nfs/dbraw/zinc/87/37/58/658873758.db2.gz LNNZMNVFVNZOKC-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000798224572 659083984 /nfs/dbraw/zinc/08/39/84/659083984.db2.gz KHEUSAXGFZERQD-GFCCVEGCSA-N 1 2 391.808 2.562 20 5 GFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1Cl ZINC000800537850 659315844 /nfs/dbraw/zinc/31/58/44/659315844.db2.gz JZNQVQWRUXPRBC-UHFFFAOYSA-N 1 2 387.889 2.638 20 5 GFBDLO Cc1c(Br)cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802239886 659460712 /nfs/dbraw/zinc/46/07/12/659460712.db2.gz YAQFQAYSUWXXKX-NSHDSACASA-N 1 2 375.194 2.866 20 5 GFBDLO Cc1c(Br)cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802239886 659460720 /nfs/dbraw/zinc/46/07/20/659460720.db2.gz YAQFQAYSUWXXKX-NSHDSACASA-N 1 2 375.194 2.866 20 5 GFBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000814996339 660100581 /nfs/dbraw/zinc/10/05/81/660100581.db2.gz XCXFNXIAWDCDKH-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033522 660104763 /nfs/dbraw/zinc/10/47/63/660104763.db2.gz JWINBJYGPXEDHT-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033522 660104765 /nfs/dbraw/zinc/10/47/65/660104765.db2.gz JWINBJYGPXEDHT-SNVBAGLBSA-N 1 2 379.841 2.538 20 5 GFBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000865066508 662396955 /nfs/dbraw/zinc/39/69/55/662396955.db2.gz AOJTXRKUGWYBEQ-UHFFFAOYSA-N 1 2 393.241 2.960 20 5 GFBDLO Cn1ncc(I)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866631099 662485940 /nfs/dbraw/zinc/48/59/40/662485940.db2.gz FESSXDPKNRPOPN-LBPRGKRZSA-N 1 2 398.204 2.710 20 5 GFBDLO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000894647080 663474301 /nfs/dbraw/zinc/47/43/01/663474301.db2.gz OJVKYTQNDJVFNO-WBMJQRKESA-N 1 2 382.258 2.526 20 5 GFBDLO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)n1cc[nH+]c1 ZINC000912616158 664294726 /nfs/dbraw/zinc/29/47/26/664294726.db2.gz ZVRBLHADLRPOPC-UHFFFAOYSA-N 1 2 385.193 2.858 20 5 GFBDLO Cc1sc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000119421215 551216146 /nfs/dbraw/zinc/21/61/46/551216146.db2.gz CLEVZVTWNRVXIO-UHFFFAOYSA-N 1 2 385.467 2.706 20 5 GFBDLO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162085957 551602987 /nfs/dbraw/zinc/60/29/87/551602987.db2.gz ZWRWIQHRRYQCDM-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162085957 551602988 /nfs/dbraw/zinc/60/29/88/551602988.db2.gz ZWRWIQHRRYQCDM-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000180245797 552219234 /nfs/dbraw/zinc/21/92/34/552219234.db2.gz ORYXVFUDNXTTKS-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000182533091 552286744 /nfs/dbraw/zinc/28/67/44/552286744.db2.gz FWQNVZWYMUVESV-UHFFFAOYSA-N 1 2 384.845 2.779 20 5 GFBDLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931857 563291106 /nfs/dbraw/zinc/29/11/06/563291106.db2.gz DORWDALZNRHGLM-PWSUYJOCSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931857 563291112 /nfs/dbraw/zinc/29/11/12/563291112.db2.gz DORWDALZNRHGLM-PWSUYJOCSA-N 1 2 390.221 2.650 20 5 GFBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC000374435249 563372768 /nfs/dbraw/zinc/37/27/68/563372768.db2.gz JAAYQINWKQVXJP-NSHDSACASA-N 1 2 384.845 2.609 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000425423282 563421195 /nfs/dbraw/zinc/42/11/95/563421195.db2.gz UGJWENGHHVXNQT-OAHLLOKOSA-N 1 2 384.274 2.654 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000425423282 563421198 /nfs/dbraw/zinc/42/11/98/563421198.db2.gz UGJWENGHHVXNQT-OAHLLOKOSA-N 1 2 384.274 2.654 20 5 GFBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC2 ZINC000377843356 563488743 /nfs/dbraw/zinc/48/87/43/563488743.db2.gz OSNFNYIBRYQECR-UHFFFAOYSA-N 1 2 391.236 2.611 20 5 GFBDLO COc1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc([N+](=O)[O-])c1O ZINC000446947475 563870853 /nfs/dbraw/zinc/87/08/53/563870853.db2.gz GEXQRTUODHSFOZ-UHFFFAOYSA-N 1 2 393.197 2.982 20 5 GFBDLO COc1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc([N+](=O)[O-])c1O ZINC000446947475 563870856 /nfs/dbraw/zinc/87/08/56/563870856.db2.gz GEXQRTUODHSFOZ-UHFFFAOYSA-N 1 2 393.197 2.982 20 5 GFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000475433441 564308846 /nfs/dbraw/zinc/30/88/46/564308846.db2.gz IWRYGBYVTUUAST-HNNXBMFYSA-N 1 2 378.226 2.982 20 5 GFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)CCC2 ZINC000543436896 564350365 /nfs/dbraw/zinc/35/03/65/564350365.db2.gz CBVDOVLREUKPLL-LLVKDONJSA-N 1 2 380.246 2.977 20 5 GFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000546799339 564468764 /nfs/dbraw/zinc/46/87/64/564468764.db2.gz PRBVVFDBGGDPMM-UHFFFAOYSA-N 1 2 380.813 2.516 20 5 GFBDLO CC1(CO)CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000582753368 564859932 /nfs/dbraw/zinc/85/99/32/564859932.db2.gz AGIJPRISKDFPJG-UHFFFAOYSA-N 1 2 390.221 2.794 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464855997 564919836 /nfs/dbraw/zinc/91/98/36/564919836.db2.gz MGOBGNLULDYLSJ-IAQYHMDHSA-N 1 2 398.257 2.797 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464855997 564919840 /nfs/dbraw/zinc/91/98/40/564919840.db2.gz MGOBGNLULDYLSJ-IAQYHMDHSA-N 1 2 398.257 2.797 20 5 GFBDLO CCC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499660368 564933422 /nfs/dbraw/zinc/93/34/22/564933422.db2.gz YCDOHVDAXLVQLZ-GFCCVEGCSA-N 1 2 387.278 2.689 20 5 GFBDLO CCC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499660368 564933425 /nfs/dbraw/zinc/93/34/25/564933425.db2.gz YCDOHVDAXLVQLZ-GFCCVEGCSA-N 1 2 387.278 2.689 20 5 GFBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595751190 565490314 /nfs/dbraw/zinc/49/03/14/565490314.db2.gz WKQDEFWDXGVCMH-CQSZACIVSA-N 1 2 386.235 2.729 20 5 GFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595751190 565490317 /nfs/dbraw/zinc/49/03/17/565490317.db2.gz WKQDEFWDXGVCMH-CQSZACIVSA-N 1 2 386.235 2.729 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598945889 565650239 /nfs/dbraw/zinc/65/02/39/565650239.db2.gz DDDUOEAHFYNQIG-NSHDSACASA-N 1 2 379.214 2.607 20 5 GFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663214 565861234 /nfs/dbraw/zinc/86/12/34/565861234.db2.gz QUZYYEYJYMLBNY-QWRGUYRKSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663214 565861238 /nfs/dbraw/zinc/86/12/38/565861238.db2.gz QUZYYEYJYMLBNY-QWRGUYRKSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663214 565861245 /nfs/dbraw/zinc/86/12/45/565861245.db2.gz QUZYYEYJYMLBNY-QWRGUYRKSA-N 1 2 390.303 2.714 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610913024 566104968 /nfs/dbraw/zinc/10/49/68/566104968.db2.gz VOGAUVMQAQRECU-UHFFFAOYSA-N 1 2 378.182 2.656 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000611185395 566119814 /nfs/dbraw/zinc/11/98/14/566119814.db2.gz XZOCGMMMBHAAHE-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000611185395 566119818 /nfs/dbraw/zinc/11/98/18/566119818.db2.gz XZOCGMMMBHAAHE-UHFFFAOYSA-N 1 2 396.216 2.716 20 5 GFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(-c2nn[nH]n2)c1 ZINC000738373652 598428200 /nfs/dbraw/zinc/42/82/00/598428200.db2.gz FDOBGUROEMGULX-UHFFFAOYSA-N 1 2 395.427 2.557 20 5 GFBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000823630468 607038923 /nfs/dbraw/zinc/03/89/23/607038923.db2.gz XIOIBAMMBQSFPW-UHFFFAOYSA-N 1 2 399.842 2.751 20 5 GFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000826500374 608532895 /nfs/dbraw/zinc/53/28/95/608532895.db2.gz WGSIQWCQFPAGIA-UHFFFAOYSA-N 1 2 390.407 2.587 20 5 GFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000826500374 608532896 /nfs/dbraw/zinc/53/28/96/608532896.db2.gz WGSIQWCQFPAGIA-UHFFFAOYSA-N 1 2 390.407 2.587 20 5 GFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268480723 654973761 /nfs/dbraw/zinc/97/37/61/654973761.db2.gz KVANSIIYZBMPGN-UHFFFAOYSA-N 1 2 396.245 2.679 20 5 GFBDLO O=C1CCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839482947 661086351 /nfs/dbraw/zinc/08/63/51/661086351.db2.gz QFXNTYJVEKPANP-UHFFFAOYSA-N 1 2 382.258 2.944 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000177726957 655287202 /nfs/dbraw/zinc/28/72/02/655287202.db2.gz MLZFYYHLSHRHDU-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO O=[N+]([O-])c1cnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000577491029 655460875 /nfs/dbraw/zinc/46/08/75/655460875.db2.gz UDHCJYUQLBRAHU-UHFFFAOYSA-N 1 2 393.201 2.644 20 5 GFBDLO Cc1nc(N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000758946345 655943772 /nfs/dbraw/zinc/94/37/72/655943772.db2.gz QZGNAVAEPFSLTP-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO C[N@H+](CC(F)F)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000761907785 656024142 /nfs/dbraw/zinc/02/41/42/656024142.db2.gz PATADKBCBQYBGO-UHFFFAOYSA-N 1 2 379.205 2.918 20 5 GFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000761907785 656024144 /nfs/dbraw/zinc/02/41/44/656024144.db2.gz PATADKBCBQYBGO-UHFFFAOYSA-N 1 2 379.205 2.918 20 5 GFBDLO C[C@@]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000788021870 657634977 /nfs/dbraw/zinc/63/49/77/657634977.db2.gz VCAITDJBSDBCQJ-INIZCTEOSA-N 1 2 378.226 2.848 20 5 GFBDLO C[C@@]1(O)CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795457836 658822453 /nfs/dbraw/zinc/82/24/53/658822453.db2.gz UITDQFVLKZDKAQ-MRXNPFEDSA-N 1 2 398.257 2.508 20 5 GFBDLO C[C@@]1(O)CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795457836 658822458 /nfs/dbraw/zinc/82/24/58/658822458.db2.gz UITDQFVLKZDKAQ-MRXNPFEDSA-N 1 2 398.257 2.508 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000795957453 658876886 /nfs/dbraw/zinc/87/68/86/658876886.db2.gz SHHXHVBKNYTLNU-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000795957453 658876888 /nfs/dbraw/zinc/87/68/88/658876888.db2.gz SHHXHVBKNYTLNU-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809965343 659953772 /nfs/dbraw/zinc/95/37/72/659953772.db2.gz HXWZSJCUSRUAQJ-CQSZACIVSA-N 1 2 377.224 2.648 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000859347460 662154910 /nfs/dbraw/zinc/15/49/10/662154910.db2.gz QDRMBFNNSNAHSP-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000859347460 662154914 /nfs/dbraw/zinc/15/49/14/662154914.db2.gz QDRMBFNNSNAHSP-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000865140509 662400863 /nfs/dbraw/zinc/40/08/63/662400863.db2.gz ZLZRZPSTONFNLV-UHFFFAOYSA-N 1 2 392.209 2.585 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1Br ZINC000879342249 662923522 /nfs/dbraw/zinc/92/35/22/662923522.db2.gz OSGFPULSLJMNMC-VHSXEESVSA-N 1 2 383.164 2.960 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1Br ZINC000879342249 662923524 /nfs/dbraw/zinc/92/35/24/662923524.db2.gz OSGFPULSLJMNMC-VHSXEESVSA-N 1 2 383.164 2.960 20 5 GFBDLO Cc1cn2c([nH+]1)CN(c1ccc(I)cc1[N+](=O)[O-])CC2 ZINC000359894453 206266591 /nfs/dbraw/zinc/26/65/91/206266591.db2.gz FGWQMLFDGNIMCJ-UHFFFAOYSA-N 1 2 384.177 2.725 20 5 GFBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1Cl ZINC000296563608 563292753 /nfs/dbraw/zinc/29/27/53/563292753.db2.gz CPPJPOQGFQMDPP-UHFFFAOYSA-N 1 2 394.280 2.760 20 5 GFBDLO Cc1nc(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000302176938 563422693 /nfs/dbraw/zinc/42/26/93/563422693.db2.gz XMJJEAAYGYAKAF-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000431079767 563552675 /nfs/dbraw/zinc/55/26/75/563552675.db2.gz ZRZAJFDWTMFKLL-ZJUUUORDSA-N 1 2 394.229 2.825 20 5 GFBDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000432301225 563580049 /nfs/dbraw/zinc/58/00/49/563580049.db2.gz VYKFXFANFLIHJH-AWEZNQCLSA-N 1 2 378.435 2.790 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCO[C@@H](CF)C2)c1 ZINC000411852350 563637635 /nfs/dbraw/zinc/63/76/35/563637635.db2.gz HMWWHWDQDMTJHD-ZDUSSCGKSA-N 1 2 394.184 2.760 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCO[C@@H](CF)C2)c1 ZINC000411852350 563637638 /nfs/dbraw/zinc/63/76/38/563637638.db2.gz HMWWHWDQDMTJHD-ZDUSSCGKSA-N 1 2 394.184 2.760 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368126672 563864545 /nfs/dbraw/zinc/86/45/45/563864545.db2.gz SNHYXFWVLRTRLQ-QMMMGPOBSA-N 1 2 380.202 2.759 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368126672 563864548 /nfs/dbraw/zinc/86/45/48/563864548.db2.gz SNHYXFWVLRTRLQ-QMMMGPOBSA-N 1 2 380.202 2.759 20 5 GFBDLO Cc1c(Br)c(N2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000543434788 564350403 /nfs/dbraw/zinc/35/04/03/564350403.db2.gz MLCVBMDJUICSBY-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482995245 564555268 /nfs/dbraw/zinc/55/52/68/564555268.db2.gz XEJQWSXFMWAWGP-SECBINFHSA-N 1 2 379.214 2.702 20 5 GFBDLO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456437961 564607201 /nfs/dbraw/zinc/60/72/01/564607201.db2.gz XHLYRDGTXLYABW-NOZJJQNGSA-N 1 2 379.214 2.919 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1[N+](=O)[O-] ZINC000487098699 564675722 /nfs/dbraw/zinc/67/57/22/564675722.db2.gz SKFUVYBGLSHGRB-UHFFFAOYSA-N 1 2 382.829 2.597 20 5 GFBDLO COCC1(C)C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459624848 564753570 /nfs/dbraw/zinc/75/35/70/564753570.db2.gz VJCYMECJSATAAE-UHFFFAOYSA-N 1 2 376.194 2.668 20 5 GFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000557498048 564865230 /nfs/dbraw/zinc/86/52/30/564865230.db2.gz QPBKVIKJQGFCEZ-ZDUSSCGKSA-N 1 2 379.214 2.972 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856005 564919399 /nfs/dbraw/zinc/91/93/99/564919399.db2.gz MGOBGNLULDYLSJ-XHDPSFHLSA-N 1 2 398.257 2.797 20 5 GFBDLO O=C(C[N@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856005 564919404 /nfs/dbraw/zinc/91/94/04/564919404.db2.gz MGOBGNLULDYLSJ-XHDPSFHLSA-N 1 2 398.257 2.797 20 5 GFBDLO Cc1sc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000467403380 564962661 /nfs/dbraw/zinc/96/26/61/564962661.db2.gz HTPFGISEIMGWCR-UHFFFAOYSA-N 1 2 387.527 2.850 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819388 564973508 /nfs/dbraw/zinc/97/35/08/564973508.db2.gz NHLISDVFIFMCFA-HNNXBMFYSA-N 1 2 381.841 2.713 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819388 564973510 /nfs/dbraw/zinc/97/35/10/564973510.db2.gz NHLISDVFIFMCFA-HNNXBMFYSA-N 1 2 381.841 2.713 20 5 GFBDLO CN(CCc1[nH]c2ccccc2[nH+]1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599091566 565656792 /nfs/dbraw/zinc/65/67/92/565656792.db2.gz JOIMIJLMEICXAF-UHFFFAOYSA-N 1 2 380.451 2.615 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000604468612 565929532 /nfs/dbraw/zinc/92/95/32/565929532.db2.gz FHKULCWKLPZRLZ-UHFFFAOYSA-N 1 2 375.878 2.519 20 5 GFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)nc2c1 ZINC000826499537 608531799 /nfs/dbraw/zinc/53/17/99/608531799.db2.gz MNKKVBGKZCFXPL-UHFFFAOYSA-N 1 2 377.364 2.695 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000066000284 654892048 /nfs/dbraw/zinc/89/20/48/654892048.db2.gz FWTFUEUWPGZGPW-AWEZNQCLSA-N 1 2 381.479 2.599 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066000284 654892052 /nfs/dbraw/zinc/89/20/52/654892052.db2.gz FWTFUEUWPGZGPW-AWEZNQCLSA-N 1 2 381.479 2.599 20 5 GFBDLO O=C1CCCN1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769327719 656270571 /nfs/dbraw/zinc/27/05/71/656270571.db2.gz DPAZITAVKHHTPF-UHFFFAOYSA-N 1 2 382.258 2.944 20 5 GFBDLO CC(C)(C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c[nH+]c[nH]1 ZINC000803546005 659588044 /nfs/dbraw/zinc/58/80/44/659588044.db2.gz VREJWYBDGSSIIF-UHFFFAOYSA-N 1 2 393.241 2.943 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000815024436 660103401 /nfs/dbraw/zinc/10/34/01/660103401.db2.gz BWBQVJBWPJFEGM-UHFFFAOYSA-N 1 2 384.776 2.514 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843416853 661380867 /nfs/dbraw/zinc/38/08/67/661380867.db2.gz YJGXTUYKQXBSCQ-NSHDSACASA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843416853 661380873 /nfs/dbraw/zinc/38/08/73/661380873.db2.gz YJGXTUYKQXBSCQ-NSHDSACASA-N 1 2 378.230 2.834 20 5 GFBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000860193465 662192280 /nfs/dbraw/zinc/19/22/80/662192280.db2.gz MGFNUOMQBBAKIM-SNVBAGLBSA-N 1 2 396.296 2.663 20 5 GFBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000860193465 662192283 /nfs/dbraw/zinc/19/22/83/662192283.db2.gz MGFNUOMQBBAKIM-SNVBAGLBSA-N 1 2 396.296 2.663 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3Br)C2)nc1 ZINC000878251199 662892457 /nfs/dbraw/zinc/89/24/57/662892457.db2.gz HUXUPLRHTWSKQY-NSHDSACASA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncccc3Br)C2)nc1 ZINC000878251199 662892459 /nfs/dbraw/zinc/89/24/59/662892459.db2.gz HUXUPLRHTWSKQY-NSHDSACASA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C4CS(=O)(=O)C4)C3)s2)cc1 ZINC000895427288 663513796 /nfs/dbraw/zinc/51/37/96/663513796.db2.gz IXYNAIBQGGECSA-UHFFFAOYSA-N 1 2 378.475 2.800 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929622991 664754931 /nfs/dbraw/zinc/75/49/31/664754931.db2.gz UBNOSUBWHMYPLZ-CQSZACIVSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929622991 664754934 /nfs/dbraw/zinc/75/49/34/664754934.db2.gz UBNOSUBWHMYPLZ-CQSZACIVSA-N 1 2 382.258 2.944 20 5 GFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000033853112 206302935 /nfs/dbraw/zinc/30/29/35/206302935.db2.gz SQLVAEVKNQXAJV-HNNXBMFYSA-N 1 2 391.855 2.810 20 5 GFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000056035478 551175781 /nfs/dbraw/zinc/17/57/81/551175781.db2.gz LKDVXZNYSZIQJT-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703007 551438688 /nfs/dbraw/zinc/43/86/88/551438688.db2.gz FYJAVSUGFJQHES-QWRGUYRKSA-N 1 2 386.246 2.531 20 5 GFBDLO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152703007 551438689 /nfs/dbraw/zinc/43/86/89/551438689.db2.gz FYJAVSUGFJQHES-QWRGUYRKSA-N 1 2 386.246 2.531 20 5 GFBDLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000157797190 551542868 /nfs/dbraw/zinc/54/28/68/551542868.db2.gz MCGPPFGUVGZQDE-UHFFFAOYSA-N 1 2 399.270 2.927 20 5 GFBDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000157797190 551542869 /nfs/dbraw/zinc/54/28/69/551542869.db2.gz MCGPPFGUVGZQDE-UHFFFAOYSA-N 1 2 399.270 2.927 20 5 GFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000176217724 552136325 /nfs/dbraw/zinc/13/63/25/552136325.db2.gz JHTCKLAYUCHNIA-AWEZNQCLSA-N 1 2 381.230 2.627 20 5 GFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000176217724 552136326 /nfs/dbraw/zinc/13/63/26/552136326.db2.gz JHTCKLAYUCHNIA-AWEZNQCLSA-N 1 2 381.230 2.627 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000182225566 552278833 /nfs/dbraw/zinc/27/88/33/552278833.db2.gz RHYNFMLMWALKNM-ZDUSSCGKSA-N 1 2 381.479 2.705 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000182225566 552278835 /nfs/dbraw/zinc/27/88/35/552278835.db2.gz RHYNFMLMWALKNM-ZDUSSCGKSA-N 1 2 381.479 2.705 20 5 GFBDLO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000182641036 552289325 /nfs/dbraw/zinc/28/93/25/552289325.db2.gz AOZVSNKQUCRJHR-VXGBXAGGSA-N 1 2 387.889 2.566 20 5 GFBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370438693 563244404 /nfs/dbraw/zinc/24/44/04/563244404.db2.gz ONBIIROLFHSJNY-UHFFFAOYSA-N 1 2 384.845 2.602 20 5 GFBDLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931846 563291482 /nfs/dbraw/zinc/29/14/82/563291482.db2.gz DORWDALZNRHGLM-CMPLNLGQSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931846 563291483 /nfs/dbraw/zinc/29/14/83/563291483.db2.gz DORWDALZNRHGLM-CMPLNLGQSA-N 1 2 390.221 2.650 20 5 GFBDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)no1 ZINC000374549744 563375796 /nfs/dbraw/zinc/37/57/96/563375796.db2.gz PTAAELHPHRBMFT-LBPRGKRZSA-N 1 2 396.245 2.759 20 5 GFBDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)no1 ZINC000374549744 563375798 /nfs/dbraw/zinc/37/57/98/563375798.db2.gz PTAAELHPHRBMFT-LBPRGKRZSA-N 1 2 396.245 2.759 20 5 GFBDLO C[C@H]1CCC[N@@H+](C(C)(C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302190345 563422805 /nfs/dbraw/zinc/42/28/05/563422805.db2.gz QSDPBNNPCUBEOC-NSHDSACASA-N 1 2 375.516 2.982 20 5 GFBDLO C[C@H]1CCC[N@H+](C(C)(C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302190345 563422809 /nfs/dbraw/zinc/42/28/09/563422809.db2.gz QSDPBNNPCUBEOC-NSHDSACASA-N 1 2 375.516 2.982 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432989102 563599548 /nfs/dbraw/zinc/59/95/48/563599548.db2.gz NZWQETSDCRXNED-SNVBAGLBSA-N 1 2 394.229 2.745 20 5 GFBDLO COC1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000290067952 563696631 /nfs/dbraw/zinc/69/66/31/563696631.db2.gz TYHAIIAMFXOAFJ-UHFFFAOYSA-N 1 2 376.194 2.810 20 5 GFBDLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290325724 563705380 /nfs/dbraw/zinc/70/53/80/563705380.db2.gz AINATHFMCXJNSR-UHFFFAOYSA-N 1 2 390.824 2.651 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369351622 563893073 /nfs/dbraw/zinc/89/30/73/563893073.db2.gz FPFLYHIANWUTBU-LLVKDONJSA-N 1 2 384.845 2.550 20 5 GFBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509543706 564303380 /nfs/dbraw/zinc/30/33/80/564303380.db2.gz UDHVPVIIRNMSGW-UHFFFAOYSA-N 1 2 397.172 2.885 20 5 GFBDLO NC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000475440928 564308773 /nfs/dbraw/zinc/30/87/73/564308773.db2.gz NZCDBKVZNDQERX-AWEZNQCLSA-N 1 2 382.189 2.813 20 5 GFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000451545038 564324830 /nfs/dbraw/zinc/32/48/30/564324830.db2.gz NPQSNTMBKJUXAQ-YGRLFVJLSA-N 1 2 386.246 2.653 20 5 GFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000451545038 564324835 /nfs/dbraw/zinc/32/48/35/564324835.db2.gz NPQSNTMBKJUXAQ-YGRLFVJLSA-N 1 2 386.246 2.653 20 5 GFBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173412 564451704 /nfs/dbraw/zinc/45/17/04/564451704.db2.gz RSGVBKUUWBEIML-IINYFYTJSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173412 564451708 /nfs/dbraw/zinc/45/17/08/564451708.db2.gz RSGVBKUUWBEIML-IINYFYTJSA-N 1 2 390.221 2.935 20 5 GFBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000576674692 564717384 /nfs/dbraw/zinc/71/73/84/564717384.db2.gz XOBUNDIBACFFDB-LLVKDONJSA-N 1 2 386.246 2.654 20 5 GFBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000576674692 564717389 /nfs/dbraw/zinc/71/73/89/564717389.db2.gz XOBUNDIBACFFDB-LLVKDONJSA-N 1 2 386.246 2.654 20 5 GFBDLO Cc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535748272 565019843 /nfs/dbraw/zinc/01/98/43/565019843.db2.gz DHVXTRIEOGBYCU-UHFFFAOYSA-N 1 2 397.172 2.885 20 5 GFBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584747835 565094579 /nfs/dbraw/zinc/09/45/79/565094579.db2.gz BMHKRLXEPRJRSR-WDAIWFPHSA-N 1 2 390.221 2.933 20 5 GFBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584747835 565094582 /nfs/dbraw/zinc/09/45/82/565094582.db2.gz BMHKRLXEPRJRSR-WDAIWFPHSA-N 1 2 390.221 2.933 20 5 GFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598000088 565588642 /nfs/dbraw/zinc/58/86/42/565588642.db2.gz XNSKQWDYPPQQJL-NEPJUHHUSA-N 1 2 387.889 2.566 20 5 GFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598000088 565588646 /nfs/dbraw/zinc/58/86/46/565588646.db2.gz XNSKQWDYPPQQJL-NEPJUHHUSA-N 1 2 387.889 2.566 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988166 565878217 /nfs/dbraw/zinc/87/82/17/565878217.db2.gz ADHVSUMTORPWPZ-GXSJLCMTSA-N 1 2 383.164 2.960 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988166 565878222 /nfs/dbraw/zinc/87/82/22/565878222.db2.gz ADHVSUMTORPWPZ-GXSJLCMTSA-N 1 2 383.164 2.960 20 5 GFBDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000609221831 566033586 /nfs/dbraw/zinc/03/35/86/566033586.db2.gz BZKCDTFYKFERRE-HNNXBMFYSA-N 1 2 394.225 2.682 20 5 GFBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Br)c1 ZINC000494018805 650800482 /nfs/dbraw/zinc/80/04/82/650800482.db2.gz FMVCTCLNZRLUEB-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCCO1 ZINC000126213060 654810140 /nfs/dbraw/zinc/81/01/40/654810140.db2.gz HWZZXIYAEKKUSM-LBPRGKRZSA-N 1 2 386.246 2.797 20 5 GFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCCO1 ZINC000126213060 654810142 /nfs/dbraw/zinc/81/01/42/654810142.db2.gz HWZZXIYAEKKUSM-LBPRGKRZSA-N 1 2 386.246 2.797 20 5 GFBDLO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000129139583 654858051 /nfs/dbraw/zinc/85/80/51/654858051.db2.gz JMYLEIASJLGESP-ZDUSSCGKSA-N 1 2 387.458 2.914 20 5 GFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000754995555 655878069 /nfs/dbraw/zinc/87/80/69/655878069.db2.gz FMIUPFNQLVCWFX-UHFFFAOYSA-N 1 2 396.172 2.795 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000756130558 655895471 /nfs/dbraw/zinc/89/54/71/655895471.db2.gz MKDDMZMOCREJED-SECBINFHSA-N 1 2 397.204 2.860 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765639706 656146569 /nfs/dbraw/zinc/14/65/69/656146569.db2.gz DUJMDJAAHVZJTO-WDEREUQCSA-N 1 2 377.413 2.510 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765639706 656146571 /nfs/dbraw/zinc/14/65/71/656146571.db2.gz DUJMDJAAHVZJTO-WDEREUQCSA-N 1 2 377.413 2.510 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769378448 656272746 /nfs/dbraw/zinc/27/27/46/656272746.db2.gz CHEFSQXULZKWEE-GFCCVEGCSA-N 1 2 382.258 2.944 20 5 GFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769378448 656272751 /nfs/dbraw/zinc/27/27/51/656272751.db2.gz CHEFSQXULZKWEE-GFCCVEGCSA-N 1 2 382.258 2.944 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000809806825 659939832 /nfs/dbraw/zinc/93/98/32/659939832.db2.gz GBLPONFKTSXJDA-UHFFFAOYSA-N 1 2 391.852 2.636 20 5 GFBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831342 659946461 /nfs/dbraw/zinc/94/64/61/659946461.db2.gz CWHLDFCOQRJQTH-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831342 659946464 /nfs/dbraw/zinc/94/64/64/659946464.db2.gz CWHLDFCOQRJQTH-JTQLQIEISA-N 1 2 379.841 2.538 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000881860367 663006545 /nfs/dbraw/zinc/00/65/45/663006545.db2.gz WRVRIGQBYMPPMO-GFCCVEGCSA-N 1 2 384.845 2.779 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000927769716 664715641 /nfs/dbraw/zinc/71/56/41/664715641.db2.gz XIZUDOJYJIJFOI-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)CC2 ZINC000930367959 664768371 /nfs/dbraw/zinc/76/83/71/664768371.db2.gz QOQGZXJBRBMMOM-MMPTUQATSA-N 1 2 383.242 2.519 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)CC2 ZINC000930367959 664768373 /nfs/dbraw/zinc/76/83/73/664768373.db2.gz QOQGZXJBRBMMOM-MMPTUQATSA-N 1 2 383.242 2.519 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000119500192 551216639 /nfs/dbraw/zinc/21/66/39/551216639.db2.gz CXEKHQNGAXMEHJ-LBPRGKRZSA-N 1 2 389.886 2.891 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000179206043 552186559 /nfs/dbraw/zinc/18/65/59/552186559.db2.gz BERXHHALXBLSSV-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000179206043 552186560 /nfs/dbraw/zinc/18/65/60/552186560.db2.gz BERXHHALXBLSSV-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247795026 553125607 /nfs/dbraw/zinc/12/56/07/553125607.db2.gz ZNEMZDRAYBDLQK-SMDDNHRTSA-N 1 2 384.845 2.717 20 5 GFBDLO Cc1nn(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1Br ZINC000279818058 563311588 /nfs/dbraw/zinc/31/15/88/563311588.db2.gz LUIVQFFQDALKCA-UHFFFAOYSA-N 1 2 379.218 2.565 20 5 GFBDLO O=[N+]([O-])c1cnc(NCc2ccnc(-n3cc[nH+]c3)c2)c(Br)c1 ZINC000301545589 563406793 /nfs/dbraw/zinc/40/67/93/563406793.db2.gz PGZMPEVDAGPCLQ-UHFFFAOYSA-N 1 2 375.186 2.945 20 5 GFBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000302493463 563426232 /nfs/dbraw/zinc/42/62/32/563426232.db2.gz JINVPWGTJRCTFY-FRRDWIJNSA-N 1 2 399.289 2.830 20 5 GFBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000302493463 563426233 /nfs/dbraw/zinc/42/62/33/563426233.db2.gz JINVPWGTJRCTFY-FRRDWIJNSA-N 1 2 399.289 2.830 20 5 GFBDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000431123674 563554329 /nfs/dbraw/zinc/55/43/29/563554329.db2.gz DMDZQXGLKGIHFI-UWVGGRQHSA-N 1 2 394.229 2.825 20 5 GFBDLO Cc1c(NC(=O)N2CCn3c[nH+]cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000290771158 563720264 /nfs/dbraw/zinc/72/02/64/563720264.db2.gz SHSDIYSVUJQKOH-UHFFFAOYSA-N 1 2 380.202 2.910 20 5 GFBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291526412 563746562 /nfs/dbraw/zinc/74/65/62/563746562.db2.gz MUQIOYGESBUGJZ-UHFFFAOYSA-N 1 2 376.240 2.742 20 5 GFBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291526412 563746564 /nfs/dbraw/zinc/74/65/64/563746564.db2.gz MUQIOYGESBUGJZ-UHFFFAOYSA-N 1 2 376.240 2.742 20 5 GFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292211088 563778894 /nfs/dbraw/zinc/77/88/94/563778894.db2.gz HYXDZCUHVBIDFT-JQWIXIFHSA-N 1 2 388.251 2.837 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000292973568 563797983 /nfs/dbraw/zinc/79/79/83/563797983.db2.gz ATVLRDZWGHSTQA-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000292973568 563797980 /nfs/dbraw/zinc/79/79/80/563797980.db2.gz ATVLRDZWGHSTQA-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447655748 563883924 /nfs/dbraw/zinc/88/39/24/563883924.db2.gz FOYNIBUGZWWESD-GFCCVEGCSA-N 1 2 387.889 2.519 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000564154145 564223045 /nfs/dbraw/zinc/22/30/45/564223045.db2.gz YPYOCIPWOOVMTN-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000564154145 564223046 /nfs/dbraw/zinc/22/30/46/564223046.db2.gz YPYOCIPWOOVMTN-GFCCVEGCSA-N 1 2 387.889 2.542 20 5 GFBDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568450620 564419062 /nfs/dbraw/zinc/41/90/62/564419062.db2.gz IYWDWHZYNFVUDA-QWRGUYRKSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568450620 564419067 /nfs/dbraw/zinc/41/90/67/564419067.db2.gz IYWDWHZYNFVUDA-QWRGUYRKSA-N 1 2 390.221 2.792 20 5 GFBDLO CCN1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480691527 564482123 /nfs/dbraw/zinc/48/21/23/564482123.db2.gz VYIMLFHVQDKTPK-GFCCVEGCSA-N 1 2 395.261 2.667 20 5 GFBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000579650266 564750363 /nfs/dbraw/zinc/75/03/63/564750363.db2.gz YNGMQMGXERGNAP-ZETCQYMHSA-N 1 2 388.165 2.742 20 5 GFBDLO COc1cc[nH+]cc1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000554081636 564750572 /nfs/dbraw/zinc/75/05/72/564750572.db2.gz BQUWYBNNGCXQGF-UHFFFAOYSA-N 1 2 380.198 2.999 20 5 GFBDLO CC[N@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491542429 564792739 /nfs/dbraw/zinc/79/27/39/564792739.db2.gz DKUMLXNPELYFDU-UHFFFAOYSA-N 1 2 383.392 2.685 20 5 GFBDLO CC[N@@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491542429 564792744 /nfs/dbraw/zinc/79/27/44/564792744.db2.gz DKUMLXNPELYFDU-UHFFFAOYSA-N 1 2 383.392 2.685 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000555510638 564795822 /nfs/dbraw/zinc/79/58/22/564795822.db2.gz DGMMYGJSIMBVKZ-HNNXBMFYSA-N 1 2 393.241 2.751 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000555510638 564795826 /nfs/dbraw/zinc/79/58/26/564795826.db2.gz DGMMYGJSIMBVKZ-HNNXBMFYSA-N 1 2 393.241 2.751 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048605 564954051 /nfs/dbraw/zinc/95/40/51/564954051.db2.gz UIXXTPLAXVXPPE-XJKSGUPXSA-N 1 2 381.479 2.688 20 5 GFBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048605 564954054 /nfs/dbraw/zinc/95/40/54/564954054.db2.gz UIXXTPLAXVXPPE-XJKSGUPXSA-N 1 2 381.479 2.688 20 5 GFBDLO Cc1sc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000467400812 564962724 /nfs/dbraw/zinc/96/27/24/564962724.db2.gz XHQSLZCIMWQWEZ-UHFFFAOYSA-N 1 2 375.516 2.707 20 5 GFBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000502593139 565001774 /nfs/dbraw/zinc/00/17/74/565001774.db2.gz SAILASHTHULROV-UHFFFAOYSA-N 1 2 387.889 2.638 20 5 GFBDLO CNC(=O)CC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602475146 565850006 /nfs/dbraw/zinc/85/00/06/565850006.db2.gz WXGIMMXYGRBKQK-UHFFFAOYSA-N 1 2 376.276 2.767 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1 ZINC000608908920 566026491 /nfs/dbraw/zinc/02/64/91/566026491.db2.gz BOUKPKSMUODVBJ-UHFFFAOYSA-N 1 2 379.785 2.630 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610667813 566092467 /nfs/dbraw/zinc/09/24/67/566092467.db2.gz ABTHJKQTBDHKQK-AWEZNQCLSA-N 1 2 393.241 2.960 20 5 GFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736201074 598255624 /nfs/dbraw/zinc/25/56/24/598255624.db2.gz GKDHUWCJAWVZME-ZDUSSCGKSA-N 1 2 397.414 2.797 20 5 GFBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826182935 607523812 /nfs/dbraw/zinc/52/38/12/607523812.db2.gz YRUZWPUTZHPLJE-UHFFFAOYSA-N 1 2 380.408 2.948 20 5 GFBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826182935 607523813 /nfs/dbraw/zinc/52/38/13/607523813.db2.gz YRUZWPUTZHPLJE-UHFFFAOYSA-N 1 2 380.408 2.948 20 5 GFBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1n1cc[nH+]c1 ZINC000826902780 660471043 /nfs/dbraw/zinc/47/10/43/660471043.db2.gz LQYKGWFIMAARHS-GXFFZTMASA-N 1 2 394.229 2.672 20 5 GFBDLO COc1c(Br)c([N+](=O)[O-])c(NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000835232741 660846003 /nfs/dbraw/zinc/84/60/03/660846003.db2.gz SWQUTSKMSHUCBF-UHFFFAOYSA-N 1 2 386.162 2.583 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000795879395 658866185 /nfs/dbraw/zinc/86/61/85/658866185.db2.gz LLMVYXZPJCXZOC-UHFFFAOYSA-N 1 2 384.776 2.514 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCNc2cccc[nH+]2)c(Cl)cc1Cl ZINC000809825249 659944422 /nfs/dbraw/zinc/94/44/22/659944422.db2.gz CKLSBUUISMIUKF-UHFFFAOYSA-N 1 2 391.236 2.687 20 5 GFBDLO O=C1OCCN1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000852721276 661871675 /nfs/dbraw/zinc/87/16/75/661871675.db2.gz KPPKMTPRLJTBLP-UHFFFAOYSA-N 1 2 384.230 2.774 20 5 GFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1I)c1ccc([N+](=O)[O-])cc1 ZINC000922539533 664606434 /nfs/dbraw/zinc/60/64/34/664606434.db2.gz BUPCHZAACLTZOR-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000927760550 664715141 /nfs/dbraw/zinc/71/51/41/664715141.db2.gz KVGSRKSZXKSJRR-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000151174998 551408621 /nfs/dbraw/zinc/40/86/21/551408621.db2.gz UYEPFVOLMWYHPS-JTQLQIEISA-N 1 2 379.214 2.607 20 5 GFBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155014283 551488753 /nfs/dbraw/zinc/48/87/53/551488753.db2.gz JFDQBFJGNGKELQ-UHFFFAOYSA-N 1 2 381.230 2.645 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176582912 552141880 /nfs/dbraw/zinc/14/18/80/552141880.db2.gz WPYOPBDWSGJHFW-UHFFFAOYSA-N 1 2 384.845 2.814 20 5 GFBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)s1 ZINC000195511294 553050962 /nfs/dbraw/zinc/05/09/62/553050962.db2.gz PYPUPUOSYLFDPA-UHFFFAOYSA-N 1 2 378.845 2.675 20 5 GFBDLO Cn1cc[nH+]c1-c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000378385574 563505206 /nfs/dbraw/zinc/50/52/06/563505206.db2.gz ROCBIHFVENSZMQ-UHFFFAOYSA-N 1 2 378.435 2.535 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])s3)[nH+]c12 ZINC000409727843 563570092 /nfs/dbraw/zinc/57/00/92/563570092.db2.gz OITWKORSMWFHIH-UHFFFAOYSA-N 1 2 382.243 2.846 20 5 GFBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1csnn1 ZINC000412032281 563644621 /nfs/dbraw/zinc/64/46/21/563644621.db2.gz DGUNVNDSQIRYHV-SSDOTTSWSA-N 1 2 390.206 2.902 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367368469 563842382 /nfs/dbraw/zinc/84/23/82/563842382.db2.gz TZKKZCPKTMEENG-SECBINFHSA-N 1 2 379.214 2.676 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367368469 563842387 /nfs/dbraw/zinc/84/23/87/563842387.db2.gz TZKKZCPKTMEENG-SECBINFHSA-N 1 2 379.214 2.676 20 5 GFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545035 564324321 /nfs/dbraw/zinc/32/43/21/564324321.db2.gz NPQSNTMBKJUXAQ-HZMBPMFUSA-N 1 2 386.246 2.653 20 5 GFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545035 564324325 /nfs/dbraw/zinc/32/43/25/564324325.db2.gz NPQSNTMBKJUXAQ-HZMBPMFUSA-N 1 2 386.246 2.653 20 5 GFBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000478872257 564417060 /nfs/dbraw/zinc/41/70/60/564417060.db2.gz WDLKXTFXBOWPAH-AWEZNQCLSA-N 1 2 383.495 2.854 20 5 GFBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000478872258 564417459 /nfs/dbraw/zinc/41/74/59/564417459.db2.gz WDLKXTFXBOWPAH-CQSZACIVSA-N 1 2 383.495 2.854 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)c(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)c1 ZINC000548116676 564532348 /nfs/dbraw/zinc/53/23/48/564532348.db2.gz NAACLEJSINPGEG-UHFFFAOYSA-N 1 2 386.239 2.596 20 5 GFBDLO Cn1cc[nH+]c1[C@H](NCc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000552058329 564675545 /nfs/dbraw/zinc/67/55/45/564675545.db2.gz BSTANHRPISICNX-CQSZACIVSA-N 1 2 391.229 2.693 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000578820774 564744242 /nfs/dbraw/zinc/74/42/42/564744242.db2.gz NACSNLKFKWJDCC-CYBMUJFWSA-N 1 2 390.221 2.936 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000578820774 564744243 /nfs/dbraw/zinc/74/42/43/564744243.db2.gz NACSNLKFKWJDCC-CYBMUJFWSA-N 1 2 390.221 2.936 20 5 GFBDLO COCC1(O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459632760 564753632 /nfs/dbraw/zinc/75/36/32/564753632.db2.gz FFPZRLKTJPHQRB-UHFFFAOYSA-N 1 2 397.225 2.810 20 5 GFBDLO CC1CC[NH+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462442682 564839702 /nfs/dbraw/zinc/83/97/02/564839702.db2.gz URFOGJGRNOXHIA-UHFFFAOYSA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460079 564901360 /nfs/dbraw/zinc/90/13/60/564901360.db2.gz WZMSWEYWIRDPDM-GWCFXTLKSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460079 564901362 /nfs/dbraw/zinc/90/13/62/564901362.db2.gz WZMSWEYWIRDPDM-GWCFXTLKSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1n[nH]cc1Br ZINC000531969665 564925830 /nfs/dbraw/zinc/92/58/30/564925830.db2.gz CNRCCYWRZASUQK-SECBINFHSA-N 1 2 382.218 2.587 20 5 GFBDLO Cc1sc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000467390923 564961832 /nfs/dbraw/zinc/96/18/32/564961832.db2.gz ABBZTRWMKXSQJR-LBPRGKRZSA-N 1 2 375.497 2.607 20 5 GFBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819389 564973245 /nfs/dbraw/zinc/97/32/45/564973245.db2.gz NHLISDVFIFMCFA-OAHLLOKOSA-N 1 2 381.841 2.713 20 5 GFBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819389 564973250 /nfs/dbraw/zinc/97/32/50/564973250.db2.gz NHLISDVFIFMCFA-OAHLLOKOSA-N 1 2 381.841 2.713 20 5 GFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(F)cncc3Br)CC2)n1 ZINC000597119774 565552771 /nfs/dbraw/zinc/55/27/71/565552771.db2.gz YFFOIKAXJJOVSD-UHFFFAOYSA-N 1 2 384.209 2.925 20 5 GFBDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430166 565847976 /nfs/dbraw/zinc/84/79/76/565847976.db2.gz IUCOVDWYOVERKK-SNVBAGLBSA-N 1 2 376.276 2.767 20 5 GFBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430166 565847981 /nfs/dbraw/zinc/84/79/81/565847981.db2.gz IUCOVDWYOVERKK-SNVBAGLBSA-N 1 2 376.276 2.767 20 5 GFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000823643839 599457487 /nfs/dbraw/zinc/45/74/87/599457487.db2.gz CONDHNXQVKFSKX-UHFFFAOYSA-N 1 2 394.313 2.805 20 5 GFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]c1N1CCCC[C@H]1C ZINC000826271566 609563787 /nfs/dbraw/zinc/56/37/87/609563787.db2.gz XGLMHEIHTARVJS-GFCCVEGCSA-N 1 2 395.427 2.996 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609431798 651619505 /nfs/dbraw/zinc/61/95/05/651619505.db2.gz RWJXEYLNPCXOFD-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832415230 660778689 /nfs/dbraw/zinc/77/86/89/660778689.db2.gz OMIVFZPZCOQQAL-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832415230 660778690 /nfs/dbraw/zinc/77/86/90/660778690.db2.gz OMIVFZPZCOQQAL-GFCCVEGCSA-N 1 2 375.878 2.661 20 5 GFBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000134551998 654996315 /nfs/dbraw/zinc/99/63/15/654996315.db2.gz UWYPVIABVDLCPV-UHFFFAOYSA-N 1 2 393.252 2.809 20 5 GFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779444954 656926803 /nfs/dbraw/zinc/92/68/03/656926803.db2.gz ZLXMBUYCUFGFPV-SNVBAGLBSA-N 1 2 380.202 2.690 20 5 GFBDLO CC(C)OCC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892924 658326072 /nfs/dbraw/zinc/32/60/72/658326072.db2.gz WAKXLQONUGKXEG-LBPRGKRZSA-N 1 2 387.274 2.891 20 5 GFBDLO CC(C)OCC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892924 658326083 /nfs/dbraw/zinc/32/60/83/658326083.db2.gz WAKXLQONUGKXEG-LBPRGKRZSA-N 1 2 387.274 2.891 20 5 GFBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791577 658851767 /nfs/dbraw/zinc/85/17/67/658851767.db2.gz KSVKRAZWGFHOAA-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791577 658851772 /nfs/dbraw/zinc/85/17/72/658851772.db2.gz KSVKRAZWGFHOAA-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO CN(CC(=O)OCc1cc[nH+]c(N)c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803723269 659598503 /nfs/dbraw/zinc/59/85/03/659598503.db2.gz WJWKWUJLYKUVSB-UHFFFAOYSA-N 1 2 395.213 2.514 20 5 GFBDLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018419 660102011 /nfs/dbraw/zinc/10/20/11/660102011.db2.gz PMLFZUCJDJCMBI-UHFFFAOYSA-N 1 2 390.824 2.651 20 5 GFBDLO CC(=O)N1CCC([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000930369149 664768423 /nfs/dbraw/zinc/76/84/23/664768423.db2.gz YXZOVVNHZQXLGQ-UHFFFAOYSA-N 1 2 382.258 2.726 20 5 GFBDLO CC(=O)N1CCC([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000930369149 664768425 /nfs/dbraw/zinc/76/84/25/664768425.db2.gz YXZOVVNHZQXLGQ-UHFFFAOYSA-N 1 2 382.258 2.726 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932250129 664816013 /nfs/dbraw/zinc/81/60/13/664816013.db2.gz BHYITRSCSFWTNV-OAHLLOKOSA-N 1 2 393.241 2.751 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932250129 664816015 /nfs/dbraw/zinc/81/60/15/664816015.db2.gz BHYITRSCSFWTNV-OAHLLOKOSA-N 1 2 393.241 2.751 20 5 GFBDLO CNC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053550602 212057576 /nfs/dbraw/zinc/05/75/76/212057576.db2.gz UHHXVIVMFAGYLX-UHFFFAOYSA-N 1 2 388.855 2.930 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151278720 551410574 /nfs/dbraw/zinc/41/05/74/551410574.db2.gz QCQFARZMRLPFKG-RISCZKNCSA-N 1 2 384.845 2.717 20 5 GFBDLO CCn1cc[nH+]c1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000294992784 563224653 /nfs/dbraw/zinc/22/46/53/563224653.db2.gz NHPZVNWWHOZFOL-UHFFFAOYSA-N 1 2 378.332 2.717 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278719508 563267842 /nfs/dbraw/zinc/26/78/42/563267842.db2.gz SPODHVDRHUUYHG-UHFFFAOYSA-N 1 2 395.384 2.634 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000371456683 563277887 /nfs/dbraw/zinc/27/78/87/563277887.db2.gz HCEPGPMLMDWEMH-AWEZNQCLSA-N 1 2 393.241 2.997 20 5 GFBDLO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000373835303 563352796 /nfs/dbraw/zinc/35/27/96/563352796.db2.gz KLHDGDRXVBYYDG-BMIGLBTASA-N 1 2 388.251 2.694 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374470436 563373865 /nfs/dbraw/zinc/37/38/65/563373865.db2.gz JATOIOMYFACPNA-CYBMUJFWSA-N 1 2 379.214 2.987 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C2 ZINC000375048799 563389048 /nfs/dbraw/zinc/38/90/48/563389048.db2.gz ZXLYBRSOEOGJKD-LLVKDONJSA-N 1 2 393.241 2.915 20 5 GFBDLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000425468807 563423922 /nfs/dbraw/zinc/42/39/22/563423922.db2.gz CQUYRROYLTWZMU-UHFFFAOYSA-N 1 2 382.218 2.561 20 5 GFBDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473510846 564248956 /nfs/dbraw/zinc/24/89/56/564248956.db2.gz VDHCGZAKFNCABF-UHFFFAOYSA-N 1 2 380.246 2.711 20 5 GFBDLO CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480700927 564483055 /nfs/dbraw/zinc/48/30/55/564483055.db2.gz SAUFPNNNAFFXQN-AWEZNQCLSA-N 1 2 380.246 2.964 20 5 GFBDLO Cn1cc[nH+]c1[C@@H](NCc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000552058328 564674987 /nfs/dbraw/zinc/67/49/87/564674987.db2.gz BSTANHRPISICNX-AWEZNQCLSA-N 1 2 391.229 2.693 20 5 GFBDLO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307554 564697978 /nfs/dbraw/zinc/69/79/78/564697978.db2.gz VWMCLNHSPSYPNT-SECBINFHSA-N 1 2 382.269 2.522 20 5 GFBDLO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307554 564697981 /nfs/dbraw/zinc/69/79/81/564697981.db2.gz VWMCLNHSPSYPNT-SECBINFHSA-N 1 2 382.269 2.522 20 5 GFBDLO C[C@]1(O)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933725 564868406 /nfs/dbraw/zinc/86/84/06/564868406.db2.gz SLZXWYADTIWLGD-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO C[C@]1(O)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933725 564868408 /nfs/dbraw/zinc/86/84/08/564868408.db2.gz SLZXWYADTIWLGD-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000497936137 564880099 /nfs/dbraw/zinc/88/00/99/564880099.db2.gz QZAKZMJNNSFICG-QWRGUYRKSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000497936137 564880101 /nfs/dbraw/zinc/88/01/01/564880101.db2.gz QZAKZMJNNSFICG-QWRGUYRKSA-N 1 2 375.878 2.660 20 5 GFBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1n[nH]cc1Br ZINC000531968876 564926012 /nfs/dbraw/zinc/92/60/12/564926012.db2.gz VJFPHKRJWTZNDN-SECBINFHSA-N 1 2 382.218 2.587 20 5 GFBDLO Cc1sc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000467412739 564962899 /nfs/dbraw/zinc/96/28/99/564962899.db2.gz UDHNIKNKQMCVAN-UHFFFAOYSA-N 1 2 378.435 2.629 20 5 GFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c[nH+]1 ZINC000534299903 564985433 /nfs/dbraw/zinc/98/54/33/564985433.db2.gz KIVUNYSMPBKSTN-UHFFFAOYSA-N 1 2 397.172 2.885 20 5 GFBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000594582623 565401335 /nfs/dbraw/zinc/40/13/35/565401335.db2.gz OQGDFXKNOASOKU-UHFFFAOYSA-N 1 2 388.446 2.833 20 5 GFBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957716 565437290 /nfs/dbraw/zinc/43/72/90/565437290.db2.gz ULFCNGGMAWERMJ-PELKAZGASA-N 1 2 399.192 2.587 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595846229 565494044 /nfs/dbraw/zinc/49/40/44/565494044.db2.gz XUICHKXTROACFF-HNNXBMFYSA-N 1 2 378.226 2.966 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595846229 565494048 /nfs/dbraw/zinc/49/40/48/565494048.db2.gz XUICHKXTROACFF-HNNXBMFYSA-N 1 2 378.226 2.966 20 5 GFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000602725237 565865240 /nfs/dbraw/zinc/86/52/40/565865240.db2.gz KKWNWIOZWROECT-OLZOCXBDSA-N 1 2 378.372 2.765 20 5 GFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000602725237 565865245 /nfs/dbraw/zinc/86/52/45/565865245.db2.gz KKWNWIOZWROECT-OLZOCXBDSA-N 1 2 378.372 2.765 20 5 GFBDLO Cc1noc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000602885454 565873189 /nfs/dbraw/zinc/87/31/89/565873189.db2.gz DYSIZTVOWPHUDZ-NSHDSACASA-N 1 2 383.202 2.702 20 5 GFBDLO Cc1noc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000602885454 565873193 /nfs/dbraw/zinc/87/31/93/565873193.db2.gz DYSIZTVOWPHUDZ-NSHDSACASA-N 1 2 383.202 2.702 20 5 GFBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854931 660683406 /nfs/dbraw/zinc/68/34/06/660683406.db2.gz JJUFOSGDRCYKPP-LDYMZIIASA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854931 660683409 /nfs/dbraw/zinc/68/34/09/660683409.db2.gz JJUFOSGDRCYKPP-LDYMZIIASA-N 1 2 394.280 2.663 20 5 GFBDLO Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[nH+]1 ZINC000022089044 654531203 /nfs/dbraw/zinc/53/12/03/654531203.db2.gz PJJUXKMSGPRTSO-UHFFFAOYSA-N 1 2 398.242 2.769 20 5 GFBDLO O=C(NC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1)C1CC1 ZINC000271051319 655065025 /nfs/dbraw/zinc/06/50/25/655065025.db2.gz VZRHVONQRKKHRT-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839670132 661099097 /nfs/dbraw/zinc/09/90/97/661099097.db2.gz FHPWXZHGZIVZCL-NSHDSACASA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839670132 661099099 /nfs/dbraw/zinc/09/90/99/661099099.db2.gz FHPWXZHGZIVZCL-NSHDSACASA-N 1 2 389.271 2.695 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000176737141 655254262 /nfs/dbraw/zinc/25/42/62/655254262.db2.gz FKRCLEYRYQNHLM-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950155 661216455 /nfs/dbraw/zinc/21/64/55/661216455.db2.gz FOJFDCXHAHWGRZ-SECBINFHSA-N 1 2 390.824 2.507 20 5 GFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000769901649 656299198 /nfs/dbraw/zinc/29/91/98/656299198.db2.gz QELAOWZBERPTMM-GFCCVEGCSA-N 1 2 384.845 2.779 20 5 GFBDLO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865358 657033680 /nfs/dbraw/zinc/03/36/80/657033680.db2.gz INBYVIFWYLNVOR-SECBINFHSA-N 1 2 382.269 2.664 20 5 GFBDLO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865358 657033690 /nfs/dbraw/zinc/03/36/90/657033690.db2.gz INBYVIFWYLNVOR-SECBINFHSA-N 1 2 382.269 2.664 20 5 GFBDLO C[N@H+](CCOCC1CC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440974 658819439 /nfs/dbraw/zinc/81/94/39/658819439.db2.gz URHMVPLYODTJGS-UHFFFAOYSA-N 1 2 398.257 2.629 20 5 GFBDLO C[N@@H+](CCOCC1CC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440974 658819444 /nfs/dbraw/zinc/81/94/44/658819444.db2.gz URHMVPLYODTJGS-UHFFFAOYSA-N 1 2 398.257 2.629 20 5 GFBDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835009 /nfs/dbraw/zinc/83/50/09/661835009.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N 1 2 382.269 2.664 20 5 GFBDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835013 /nfs/dbraw/zinc/83/50/13/661835013.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N 1 2 382.269 2.664 20 5 GFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000906832900 663974493 /nfs/dbraw/zinc/97/44/93/663974493.db2.gz JVPBJVSEWADUNF-UHFFFAOYSA-N 1 2 376.791 2.632 20 5 GFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000906832900 663974497 /nfs/dbraw/zinc/97/44/97/663974497.db2.gz JVPBJVSEWADUNF-UHFFFAOYSA-N 1 2 376.791 2.632 20 5 GFBDLO C[C@H]1C[N@H+](C)C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)O1 ZINC000923930226 664640263 /nfs/dbraw/zinc/64/02/63/664640263.db2.gz BDOUIKCSQPWUKV-TVQRCGJNSA-N 1 2 397.229 2.723 20 5 GFBDLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)O1 ZINC000923930226 664640264 /nfs/dbraw/zinc/64/02/64/664640264.db2.gz BDOUIKCSQPWUKV-TVQRCGJNSA-N 1 2 397.229 2.723 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000153511786 551454367 /nfs/dbraw/zinc/45/43/67/551454367.db2.gz VTFMBKKNPXSXSY-GFCCVEGCSA-N 1 2 379.214 2.607 20 5 GFBDLO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000176325088 552139017 /nfs/dbraw/zinc/13/90/17/552139017.db2.gz RVUPOIJKKTXLQU-LLVKDONJSA-N 1 2 386.246 2.654 20 5 GFBDLO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000176325088 552139020 /nfs/dbraw/zinc/13/90/20/552139020.db2.gz RVUPOIJKKTXLQU-LLVKDONJSA-N 1 2 386.246 2.654 20 5 GFBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377294030 563469935 /nfs/dbraw/zinc/46/99/35/563469935.db2.gz PPCFFWKMKADFOL-UHFFFAOYSA-N 1 2 384.845 2.602 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000365378039 563781798 /nfs/dbraw/zinc/78/17/98/563781798.db2.gz JMDYDPXBODTNFV-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000365531334 563785709 /nfs/dbraw/zinc/78/57/09/563785709.db2.gz DHKDBAVLHYEJEB-NSHDSACASA-N 1 2 384.845 2.550 20 5 GFBDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000567512447 564375245 /nfs/dbraw/zinc/37/52/45/564375245.db2.gz UQIXJHOMAVVHGK-JSGCOSHPSA-N 1 2 381.479 2.598 20 5 GFBDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000567512447 564375252 /nfs/dbraw/zinc/37/52/52/564375252.db2.gz UQIXJHOMAVVHGK-JSGCOSHPSA-N 1 2 381.479 2.598 20 5 GFBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545830869 564433314 /nfs/dbraw/zinc/43/33/14/564433314.db2.gz IYSSSBZFOQMWIZ-UHFFFAOYSA-N 1 2 394.280 2.832 20 5 GFBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545830869 564433320 /nfs/dbraw/zinc/43/33/20/564433320.db2.gz IYSSSBZFOQMWIZ-UHFFFAOYSA-N 1 2 394.280 2.832 20 5 GFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483260977 564561967 /nfs/dbraw/zinc/56/19/67/564561967.db2.gz QYEAIUXFYWRLBL-LLVKDONJSA-N 1 2 378.738 2.824 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](Cc2ccco2)CC1 ZINC000523527104 564668567 /nfs/dbraw/zinc/66/85/67/564668567.db2.gz OIMPFFWDNHQEAW-UHFFFAOYSA-N 1 2 394.225 2.908 20 5 GFBDLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410075 564890445 /nfs/dbraw/zinc/89/04/45/564890445.db2.gz SBCMVKUOVSNVNU-PWSUYJOCSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410075 564890449 /nfs/dbraw/zinc/89/04/49/564890449.db2.gz SBCMVKUOVSNVNU-PWSUYJOCSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1c(NC(=O)NCc2ccc(N)[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000558815924 564915831 /nfs/dbraw/zinc/91/58/31/564915831.db2.gz JFJFHENJUPAMLA-UHFFFAOYSA-N 1 2 380.202 2.795 20 5 GFBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1n[nH]cc1Br ZINC000531968877 564925969 /nfs/dbraw/zinc/92/59/69/564925969.db2.gz VJFPHKRJWTZNDN-VIFPVBQESA-N 1 2 382.218 2.587 20 5 GFBDLO Cc1ccc2c(c1Br)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595873410 565494827 /nfs/dbraw/zinc/49/48/27/565494827.db2.gz HJNNPGSAMMDQHP-UHFFFAOYSA-N 1 2 378.226 2.843 20 5 GFBDLO Cc1ccc2c(c1Br)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595873410 565494833 /nfs/dbraw/zinc/49/48/33/565494833.db2.gz HJNNPGSAMMDQHP-UHFFFAOYSA-N 1 2 378.226 2.843 20 5 GFBDLO C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646861 565631670 /nfs/dbraw/zinc/63/16/70/565631670.db2.gz LTHKFAIRVOHERQ-PWSUYJOCSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646861 565631671 /nfs/dbraw/zinc/63/16/71/565631671.db2.gz LTHKFAIRVOHERQ-PWSUYJOCSA-N 1 2 390.221 2.650 20 5 GFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(CCO)(CCO)CC2)cc1Br ZINC000602733790 565866772 /nfs/dbraw/zinc/86/67/72/565866772.db2.gz WFBIMXSHFOUXHU-UHFFFAOYSA-N 1 2 393.303 2.766 20 5 GFBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825962210 609314389 /nfs/dbraw/zinc/31/43/89/609314389.db2.gz UAEODEXNPVGNKM-UHFFFAOYSA-N 1 2 390.407 2.728 20 5 GFBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825962210 609314390 /nfs/dbraw/zinc/31/43/90/609314390.db2.gz UAEODEXNPVGNKM-UHFFFAOYSA-N 1 2 390.407 2.728 20 5 GFBDLO O=C1OCCN1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000827741584 660511484 /nfs/dbraw/zinc/51/14/84/660511484.db2.gz VVTXYHSXDBEAMT-UHFFFAOYSA-N 1 2 384.230 2.774 20 5 GFBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854929 660683311 /nfs/dbraw/zinc/68/33/11/660683311.db2.gz JJUFOSGDRCYKPP-KCJUWKMLSA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854929 660683315 /nfs/dbraw/zinc/68/33/15/660683315.db2.gz JJUFOSGDRCYKPP-KCJUWKMLSA-N 1 2 394.280 2.663 20 5 GFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132373146 654935761 /nfs/dbraw/zinc/93/57/61/654935761.db2.gz UFIUYUNODSRNDU-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000760817465 655992539 /nfs/dbraw/zinc/99/25/39/655992539.db2.gz ZCICGAJQGYMEPC-UHFFFAOYSA-N 1 2 378.182 2.656 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000765639696 656146581 /nfs/dbraw/zinc/14/65/81/656146581.db2.gz DUJMDJAAHVZJTO-GHMZBOCLSA-N 1 2 377.413 2.510 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000765639696 656146583 /nfs/dbraw/zinc/14/65/83/656146583.db2.gz DUJMDJAAHVZJTO-GHMZBOCLSA-N 1 2 377.413 2.510 20 5 GFBDLO O=C1CCCN1CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896947 658326867 /nfs/dbraw/zinc/32/68/67/658326867.db2.gz IGYUNVGNARQRMF-UHFFFAOYSA-N 1 2 382.258 2.728 20 5 GFBDLO O=C1CCCN1CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896947 658326877 /nfs/dbraw/zinc/32/68/77/658326877.db2.gz IGYUNVGNARQRMF-UHFFFAOYSA-N 1 2 382.258 2.728 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800537063 659315919 /nfs/dbraw/zinc/31/59/19/659315919.db2.gz LACOCZHSBDOCPS-AWEZNQCLSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800537063 659315926 /nfs/dbraw/zinc/31/59/26/659315926.db2.gz LACOCZHSBDOCPS-AWEZNQCLSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000809785164 659939349 /nfs/dbraw/zinc/93/93/49/659939349.db2.gz RODFERKUKRKQAI-ZDUSSCGKSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000809785164 659939350 /nfs/dbraw/zinc/93/93/50/659939350.db2.gz RODFERKUKRKQAI-ZDUSSCGKSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000815007718 660100809 /nfs/dbraw/zinc/10/08/09/660100809.db2.gz XHXQWGRIOSSNFI-UHFFFAOYSA-N 1 2 388.808 2.610 20 5 GFBDLO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000892101585 663361653 /nfs/dbraw/zinc/36/16/53/663361653.db2.gz OIERJFZWSJFPIB-CJNGLKHVSA-N 1 2 382.258 2.526 20 5 GFBDLO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)n1cc[nH+]c1 ZINC000898903873 663668964 /nfs/dbraw/zinc/66/89/64/663668964.db2.gz MGJLJVBUKVTKTK-UHFFFAOYSA-N 1 2 381.230 2.648 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000900314807 663712214 /nfs/dbraw/zinc/71/22/14/663712214.db2.gz MTFRSEYRDDXOIP-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC000930367349 664768176 /nfs/dbraw/zinc/76/81/76/664768176.db2.gz MRRMLSWJNGCFOZ-NSHDSACASA-N 1 2 383.242 2.663 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC000930367349 664768180 /nfs/dbraw/zinc/76/81/80/664768180.db2.gz MRRMLSWJNGCFOZ-NSHDSACASA-N 1 2 383.242 2.663 20 5 GFBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000045806620 551148182 /nfs/dbraw/zinc/14/81/82/551148182.db2.gz SIXGVTSTTKNNDB-UHFFFAOYSA-N 1 2 380.813 2.516 20 5 GFBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000124305775 551313127 /nfs/dbraw/zinc/31/31/27/551313127.db2.gz NVLGSVMKBWMXMA-UHFFFAOYSA-N 1 2 396.296 2.823 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000129701628 551358763 /nfs/dbraw/zinc/35/87/63/551358763.db2.gz PHHOYGXZXPSEMS-UHFFFAOYSA-N 1 2 387.889 2.806 20 5 GFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152422201 551432753 /nfs/dbraw/zinc/43/27/53/551432753.db2.gz HTIGPBQUPWYWEU-CYBMUJFWSA-N 1 2 391.225 2.761 20 5 GFBDLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464773 552497434 /nfs/dbraw/zinc/49/74/34/552497434.db2.gz YJDGSQXLPIMXCH-JTQLQIEISA-N 1 2 388.287 2.981 20 5 GFBDLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464773 552497436 /nfs/dbraw/zinc/49/74/36/552497436.db2.gz YJDGSQXLPIMXCH-JTQLQIEISA-N 1 2 388.287 2.981 20 5 GFBDLO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247644250 553124721 /nfs/dbraw/zinc/12/47/21/553124721.db2.gz ORVURFMOPYPZNJ-BXUZGUMPSA-N 1 2 384.845 2.717 20 5 GFBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000373840007 563353389 /nfs/dbraw/zinc/35/33/89/563353389.db2.gz UYADOPIHUYIJHR-NSHDSACASA-N 1 2 380.202 2.843 20 5 GFBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000377452336 563475212 /nfs/dbraw/zinc/47/52/12/563475212.db2.gz LZUJFORMIOTPMM-UHFFFAOYSA-N 1 2 389.169 2.585 20 5 GFBDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000432301226 563579637 /nfs/dbraw/zinc/57/96/37/563579637.db2.gz VYKFXFANFLIHJH-CQSZACIVSA-N 1 2 378.435 2.790 20 5 GFBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290655224 563716876 /nfs/dbraw/zinc/71/68/76/563716876.db2.gz FGJKPUUREHDUPD-UHFFFAOYSA-N 1 2 393.252 2.809 20 5 GFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291564688 563747948 /nfs/dbraw/zinc/74/79/48/563747948.db2.gz JCVYTZKZCQDGQA-QMTHXVAHSA-N 1 2 388.251 2.837 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])o3)[nH+]c12 ZINC000544775214 564398154 /nfs/dbraw/zinc/39/81/54/564398154.db2.gz OSKAAANYRNJQJI-UHFFFAOYSA-N 1 2 393.197 2.879 20 5 GFBDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000478965130 564420620 /nfs/dbraw/zinc/42/06/20/564420620.db2.gz XKCKTGMCDBKLTO-OAHLLOKOSA-N 1 2 394.225 2.682 20 5 GFBDLO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)ccc1[N+](=O)[O-] ZINC000527112584 564731029 /nfs/dbraw/zinc/73/10/29/564731029.db2.gz IWPXQQKUBCGUTK-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCCn1cc[nH+]c1 ZINC000530792491 564895295 /nfs/dbraw/zinc/89/52/95/564895295.db2.gz LNCPYZSCIWHFSK-UHFFFAOYSA-N 1 2 381.230 2.693 20 5 GFBDLO CO[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562034034 565016513 /nfs/dbraw/zinc/01/65/13/565016513.db2.gz PAWGMUHCJMLZQG-ZDUSSCGKSA-N 1 2 376.194 2.810 20 5 GFBDLO CO[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562034034 565016518 /nfs/dbraw/zinc/01/65/18/565016518.db2.gz PAWGMUHCJMLZQG-ZDUSSCGKSA-N 1 2 376.194 2.810 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051760 565120709 /nfs/dbraw/zinc/12/07/09/565120709.db2.gz TVYIBYQRJHIZMN-JTQLQIEISA-N 1 2 379.214 2.607 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000589514157 565165459 /nfs/dbraw/zinc/16/54/59/565165459.db2.gz DXUNWZVJWVBEQI-NSHDSACASA-N 1 2 388.205 2.668 20 5 GFBDLO Cc1c(Br)c(NCC2CC[NH+](CC(F)F)CC2)ncc1[N+](=O)[O-] ZINC000596238339 565516267 /nfs/dbraw/zinc/51/62/67/565516267.db2.gz HMUYBGNCRZDAIU-UHFFFAOYSA-N 1 2 393.232 2.872 20 5 GFBDLO O=[N+]([O-])c1sc(CN2CCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000602447969 565848729 /nfs/dbraw/zinc/84/87/29/565848729.db2.gz IVGDDVRNVPKLFL-LLVKDONJSA-N 1 2 390.303 2.715 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1Br ZINC000602447969 565848731 /nfs/dbraw/zinc/84/87/31/565848731.db2.gz IVGDDVRNVPKLFL-LLVKDONJSA-N 1 2 390.303 2.715 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1Br ZINC000602447969 565848733 /nfs/dbraw/zinc/84/87/33/565848733.db2.gz IVGDDVRNVPKLFL-LLVKDONJSA-N 1 2 390.303 2.715 20 5 GFBDLO NC(=O)CCC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602476174 565850130 /nfs/dbraw/zinc/85/01/30/565850130.db2.gz FGBODBVCHYLLOD-UHFFFAOYSA-N 1 2 376.276 2.896 20 5 GFBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000829736183 660610485 /nfs/dbraw/zinc/61/04/85/660610485.db2.gz DZRQTVYRZVOSKP-UHFFFAOYSA-N 1 2 396.296 2.864 20 5 GFBDLO O=[N+]([O-])c1cnn(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000129061085 654855546 /nfs/dbraw/zinc/85/55/46/654855546.db2.gz KORTWLOTLXVYCY-UHFFFAOYSA-N 1 2 384.267 2.916 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000176736775 655254266 /nfs/dbraw/zinc/25/42/66/655254266.db2.gz XFOBXYKGOQEGJM-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840188177 661145402 /nfs/dbraw/zinc/14/54/02/661145402.db2.gz YBGOOUKUCZZJGK-SNVBAGLBSA-N 1 2 383.451 2.667 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840188177 661145406 /nfs/dbraw/zinc/14/54/06/661145406.db2.gz YBGOOUKUCZZJGK-SNVBAGLBSA-N 1 2 383.451 2.667 20 5 GFBDLO CC(C)COC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792891521 658326222 /nfs/dbraw/zinc/32/62/22/658326222.db2.gz FKBBTSLRRQJPJG-GFCCVEGCSA-N 1 2 387.274 2.749 20 5 GFBDLO CC(C)COC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792891521 658326231 /nfs/dbraw/zinc/32/62/31/658326231.db2.gz FKBBTSLRRQJPJG-GFCCVEGCSA-N 1 2 387.274 2.749 20 5 GFBDLO COC[C@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427351 658816992 /nfs/dbraw/zinc/81/69/92/658816992.db2.gz JWPIKQIEQGYJEE-NSHDSACASA-N 1 2 398.257 2.629 20 5 GFBDLO COC[C@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795427351 658816995 /nfs/dbraw/zinc/81/69/95/658816995.db2.gz JWPIKQIEQGYJEE-NSHDSACASA-N 1 2 398.257 2.629 20 5 GFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000804334097 659635760 /nfs/dbraw/zinc/63/57/60/659635760.db2.gz YNKNISSWNYGRRS-SECBINFHSA-N 1 2 399.632 2.952 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000809840620 659947750 /nfs/dbraw/zinc/94/77/50/659947750.db2.gz XNMZLQMKOPRJQB-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000809840620 659947754 /nfs/dbraw/zinc/94/77/54/659947754.db2.gz XNMZLQMKOPRJQB-NSHDSACASA-N 1 2 391.852 2.683 20 5 GFBDLO CC(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000812857982 660035774 /nfs/dbraw/zinc/03/57/74/660035774.db2.gz WFYYRHLIRZEGGK-AWEZNQCLSA-N 1 2 390.267 2.988 20 5 GFBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000056039054 551175745 /nfs/dbraw/zinc/17/57/45/551175745.db2.gz VJXYBVMQHYHNLS-CYBMUJFWSA-N 1 2 389.886 2.891 20 5 GFBDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000130870628 551370020 /nfs/dbraw/zinc/37/00/20/551370020.db2.gz BUZDRGCMNYBZTL-UHFFFAOYSA-N 1 2 386.246 2.654 20 5 GFBDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000130870628 551370023 /nfs/dbraw/zinc/37/00/23/551370023.db2.gz BUZDRGCMNYBZTL-UHFFFAOYSA-N 1 2 386.246 2.654 20 5 GFBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)cs1 ZINC000421396731 563309789 /nfs/dbraw/zinc/30/97/89/563309789.db2.gz ZNKGXJYPHWGJMP-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)cs1 ZINC000421396731 563309791 /nfs/dbraw/zinc/30/97/91/563309791.db2.gz ZNKGXJYPHWGJMP-UHFFFAOYSA-N 1 2 389.886 2.720 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481491 563424704 /nfs/dbraw/zinc/42/47/04/563424704.db2.gz RVKKUZGJFSJODU-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481491 563424708 /nfs/dbraw/zinc/42/47/08/563424708.db2.gz RVKKUZGJFSJODU-LLVKDONJSA-N 1 2 389.271 2.695 20 5 GFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428004660 563480225 /nfs/dbraw/zinc/48/02/25/563480225.db2.gz HUDPCKNMOODNSG-NSHDSACASA-N 1 2 379.214 2.607 20 5 GFBDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1sc(Br)cc1[N+](=O)[O-] ZINC000365771233 563792991 /nfs/dbraw/zinc/79/29/91/563792991.db2.gz XCKMPUXVCLWDIF-QMMMGPOBSA-N 1 2 385.243 2.923 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000365788459 563793822 /nfs/dbraw/zinc/79/38/22/563793822.db2.gz LFEMYEBFZHNOJI-MRVPVSSYSA-N 1 2 385.243 2.782 20 5 GFBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367093619 563831220 /nfs/dbraw/zinc/83/12/20/563831220.db2.gz UKNPTUYQQAHJPW-HNNXBMFYSA-N 1 2 391.225 2.539 20 5 GFBDLO CCC(CC)Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000507026124 564216446 /nfs/dbraw/zinc/21/64/46/564216446.db2.gz CEUTXSWYLUQBKN-UHFFFAOYSA-N 1 2 387.527 2.812 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451686268 564339987 /nfs/dbraw/zinc/33/99/87/564339987.db2.gz FDTOZJSJUVYWBZ-CYBMUJFWSA-N 1 2 384.845 2.754 20 5 GFBDLO Cc1c(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000479491608 564442838 /nfs/dbraw/zinc/44/28/38/564442838.db2.gz UCJLOWHGENRCBQ-HNNXBMFYSA-N 1 2 378.226 2.982 20 5 GFBDLO O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302536 564631817 /nfs/dbraw/zinc/63/18/17/564631817.db2.gz ADFXVIDTXOCRSR-AWEZNQCLSA-N 1 2 398.257 2.675 20 5 GFBDLO O=C(C[N@@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302536 564631821 /nfs/dbraw/zinc/63/18/21/564631821.db2.gz ADFXVIDTXOCRSR-AWEZNQCLSA-N 1 2 398.257 2.675 20 5 GFBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)cc1[N+](=O)[O-] ZINC000527112333 564730444 /nfs/dbraw/zinc/73/04/44/564730444.db2.gz NVAPTKOVRFGXSL-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO CC[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491594493 564793814 /nfs/dbraw/zinc/79/38/14/564793814.db2.gz QPGXKPKHJSQLBQ-UHFFFAOYSA-N 1 2 389.421 2.746 20 5 GFBDLO CC[N@@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491594493 564793816 /nfs/dbraw/zinc/79/38/16/564793816.db2.gz QPGXKPKHJSQLBQ-UHFFFAOYSA-N 1 2 389.421 2.746 20 5 GFBDLO CC1(O)CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589255226 565157152 /nfs/dbraw/zinc/15/71/52/565157152.db2.gz VGRKWUBRCPAORV-UHFFFAOYSA-N 1 2 376.194 2.546 20 5 GFBDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590588172 565193103 /nfs/dbraw/zinc/19/31/03/565193103.db2.gz FQVFIXYFERFYLD-AWEZNQCLSA-N 1 2 387.458 2.685 20 5 GFBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957718 565438378 /nfs/dbraw/zinc/43/83/78/565438378.db2.gz ULFCNGGMAWERMJ-PRHODGIISA-N 1 2 399.192 2.587 20 5 GFBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC000601342206 565777321 /nfs/dbraw/zinc/77/73/21/565777321.db2.gz TYVZVANOQQUURT-SECBINFHSA-N 1 2 385.442 2.791 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610063108 566063839 /nfs/dbraw/zinc/06/38/39/566063839.db2.gz BSSSNNGBDLSVJL-UHFFFAOYSA-N 1 2 378.182 2.656 20 5 GFBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824634729 608482286 /nfs/dbraw/zinc/48/22/86/608482286.db2.gz XMXAYQTVTMBCFC-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO CON(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000823162894 660363507 /nfs/dbraw/zinc/36/35/07/660363507.db2.gz CSGIINXQSWMGBG-UHFFFAOYSA-N 1 2 386.246 2.589 20 5 GFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000132367327 654935449 /nfs/dbraw/zinc/93/54/49/654935449.db2.gz BRZVDUOAZFVIDR-UHFFFAOYSA-N 1 2 386.227 2.968 20 5 GFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCS(=O)(=O)CC3CC3)cs2)c1 ZINC000765277722 656139340 /nfs/dbraw/zinc/13/93/40/656139340.db2.gz UZEHICNYTZCWLI-UHFFFAOYSA-N 1 2 381.479 2.633 20 5 GFBDLO O=C(NC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1)C1CC1 ZINC000768234236 656235376 /nfs/dbraw/zinc/23/53/76/656235376.db2.gz YFLKJZDFEUPKPU-UHFFFAOYSA-N 1 2 382.258 2.848 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155993 659169138 /nfs/dbraw/zinc/16/91/38/659169138.db2.gz JZQIJWSPGLVDLX-WVWOOGAGSA-N 1 2 387.278 2.773 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155993 659169143 /nfs/dbraw/zinc/16/91/43/659169143.db2.gz JZQIJWSPGLVDLX-WVWOOGAGSA-N 1 2 387.278 2.773 20 5 GFBDLO CCOC1CC([N@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808213865 659882109 /nfs/dbraw/zinc/88/21/09/659882109.db2.gz RQJNDPHRSXDTOR-UHFFFAOYSA-N 1 2 398.257 2.770 20 5 GFBDLO CCOC1CC([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000808213865 659882112 /nfs/dbraw/zinc/88/21/12/659882112.db2.gz RQJNDPHRSXDTOR-UHFFFAOYSA-N 1 2 398.257 2.770 20 5 GFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000813369327 660052161 /nfs/dbraw/zinc/05/21/61/660052161.db2.gz ZDKCQXCRIKVIRS-GFCCVEGCSA-N 1 2 388.251 2.838 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843416852 661380946 /nfs/dbraw/zinc/38/09/46/661380946.db2.gz YJGXTUYKQXBSCQ-LLVKDONJSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843416852 661380952 /nfs/dbraw/zinc/38/09/52/661380952.db2.gz YJGXTUYKQXBSCQ-LLVKDONJSA-N 1 2 378.230 2.834 20 5 GFBDLO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000894647079 663474343 /nfs/dbraw/zinc/47/43/43/663474343.db2.gz OJVKYTQNDJVFNO-MLGOLLRUSA-N 1 2 382.258 2.526 20 5 GFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773329 664715757 /nfs/dbraw/zinc/71/57/57/664715757.db2.gz IMMFUKVXHBRUDO-NSHDSACASA-N 1 2 380.495 2.910 20 5 GFBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000082156420 211163483 /nfs/dbraw/zinc/16/34/83/211163483.db2.gz PVPQAHDBEVRECV-UHFFFAOYSA-N 1 2 391.431 2.865 20 5 GFBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 ZINC000121496546 551235749 /nfs/dbraw/zinc/23/57/49/551235749.db2.gz ZFDLCURAKRAPBW-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 ZINC000121496546 551235753 /nfs/dbraw/zinc/23/57/53/551235753.db2.gz ZFDLCURAKRAPBW-UHFFFAOYSA-N 1 2 382.467 2.539 20 5 GFBDLO CC1(C)COCC[N@@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182626714 552288836 /nfs/dbraw/zinc/28/88/36/552288836.db2.gz RLONWUMPEXGRRE-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO CC1(C)COCC[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182626714 552288838 /nfs/dbraw/zinc/28/88/38/552288838.db2.gz RLONWUMPEXGRRE-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185088825 552353442 /nfs/dbraw/zinc/35/34/42/552353442.db2.gz JIZOBIYVDLJYLC-ZDUSSCGKSA-N 1 2 398.213 2.602 20 5 GFBDLO CN(CCC[N@H+](C)Cc1ccco1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286210064 563552309 /nfs/dbraw/zinc/55/23/09/563552309.db2.gz BEEPSBPHVPVCAK-UHFFFAOYSA-N 1 2 387.483 2.611 20 5 GFBDLO CN(CCC[N@@H+](C)Cc1ccco1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286210064 563552312 /nfs/dbraw/zinc/55/23/12/563552312.db2.gz BEEPSBPHVPVCAK-UHFFFAOYSA-N 1 2 387.483 2.611 20 5 GFBDLO CN(C)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000431646460 563566139 /nfs/dbraw/zinc/56/61/39/563566139.db2.gz CHZZEFZBCUXLER-UHFFFAOYSA-N 1 2 379.214 2.748 20 5 GFBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CC(F)F)CC1 ZINC000288450916 563643593 /nfs/dbraw/zinc/64/35/93/563643593.db2.gz IISFFFZNDUGQOS-UHFFFAOYSA-N 1 2 375.803 2.884 20 5 GFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288935525 563662100 /nfs/dbraw/zinc/66/21/00/563662100.db2.gz WHVMYHRRUPEQHQ-UHFFFAOYSA-N 1 2 384.190 2.594 20 5 GFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288935525 563662102 /nfs/dbraw/zinc/66/21/02/563662102.db2.gz WHVMYHRRUPEQHQ-UHFFFAOYSA-N 1 2 384.190 2.594 20 5 GFBDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000367793554 563855372 /nfs/dbraw/zinc/85/53/72/563855372.db2.gz QRBBLDJETJGZQT-UHFFFAOYSA-N 1 2 380.202 2.910 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451686269 564340408 /nfs/dbraw/zinc/34/04/08/564340408.db2.gz FDTOZJSJUVYWBZ-ZDUSSCGKSA-N 1 2 384.845 2.754 20 5 GFBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1Br ZINC000485031110 564605060 /nfs/dbraw/zinc/60/50/60/564605060.db2.gz UIQFBNDMJFOISK-UHFFFAOYSA-N 1 2 384.205 2.790 20 5 GFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1Br ZINC000485031110 564605062 /nfs/dbraw/zinc/60/50/62/564605062.db2.gz UIQFBNDMJFOISK-UHFFFAOYSA-N 1 2 384.205 2.790 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000573276991 564631337 /nfs/dbraw/zinc/63/13/37/564631337.db2.gz JFTGAFIYBWQBQP-UHFFFAOYSA-N 1 2 393.252 2.857 20 5 GFBDLO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]c3ccc(Br)cc3n2C)c1=O ZINC000486049814 564637102 /nfs/dbraw/zinc/63/71/02/564637102.db2.gz BPIQMCOXYUTULF-UHFFFAOYSA-N 1 2 377.198 2.762 20 5 GFBDLO C[C@@H]1[C@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593188878 565318113 /nfs/dbraw/zinc/31/81/13/565318113.db2.gz DQSDBZBNYNGTQN-YIZRAAEISA-N 1 2 376.276 2.972 20 5 GFBDLO C[C@@H]1[C@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593188878 565318108 /nfs/dbraw/zinc/31/81/08/565318108.db2.gz DQSDBZBNYNGTQN-YIZRAAEISA-N 1 2 376.276 2.972 20 5 GFBDLO CS(=O)(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602672534 565862898 /nfs/dbraw/zinc/86/28/98/565862898.db2.gz MGWUGVWSLLMPJA-UHFFFAOYSA-N 1 2 380.388 2.870 20 5 GFBDLO Cn1cc(C[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602728411 565865279 /nfs/dbraw/zinc/86/52/79/565865279.db2.gz LTSAGVZGOKMQIY-CYBMUJFWSA-N 1 2 389.239 2.507 20 5 GFBDLO Cn1cc(C[N@@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602728411 565865281 /nfs/dbraw/zinc/86/52/81/565865281.db2.gz LTSAGVZGOKMQIY-CYBMUJFWSA-N 1 2 389.239 2.507 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000610263246 566073944 /nfs/dbraw/zinc/07/39/44/566073944.db2.gz HPICELZFPGOTJN-NSHDSACASA-N 1 2 394.280 2.664 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000610263246 566073952 /nfs/dbraw/zinc/07/39/52/566073952.db2.gz HPICELZFPGOTJN-NSHDSACASA-N 1 2 394.280 2.664 20 5 GFBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854930 660683327 /nfs/dbraw/zinc/68/33/27/660683327.db2.gz JJUFOSGDRCYKPP-KWQFWETISA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854930 660683329 /nfs/dbraw/zinc/68/33/29/660683329.db2.gz JJUFOSGDRCYKPP-KWQFWETISA-N 1 2 394.280 2.663 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000578682283 655484736 /nfs/dbraw/zinc/48/47/36/655484736.db2.gz IRMHGJCOYGRZMX-GFCCVEGCSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000578682283 655484737 /nfs/dbraw/zinc/48/47/37/655484737.db2.gz IRMHGJCOYGRZMX-GFCCVEGCSA-N 1 2 376.194 2.546 20 5 GFBDLO CN(C)c1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)[nH+]c1 ZINC000578924024 655489187 /nfs/dbraw/zinc/48/91/87/655489187.db2.gz JMVCQZCHMPHIHP-UHFFFAOYSA-N 1 2 398.204 2.694 20 5 GFBDLO O=[N+]([O-])c1ccc2nc(NC[C@]3([NH+]4CCOCC4)CCSC3)sc2c1 ZINC000729634275 655566157 /nfs/dbraw/zinc/56/61/57/655566157.db2.gz QRRWSGZWFPWMPU-MRXNPFEDSA-N 1 2 380.495 2.824 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000765739171 656149858 /nfs/dbraw/zinc/14/98/58/656149858.db2.gz QFMNZQWEUNWDPE-VXGBXAGGSA-N 1 2 375.878 2.660 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000765739171 656149859 /nfs/dbraw/zinc/14/98/59/656149859.db2.gz QFMNZQWEUNWDPE-VXGBXAGGSA-N 1 2 375.878 2.660 20 5 GFBDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000793265161 658379188 /nfs/dbraw/zinc/37/91/88/658379188.db2.gz GSFIQZFSXPTLDF-OAHLLOKOSA-N 1 2 378.226 2.982 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000802654655 659492936 /nfs/dbraw/zinc/49/29/36/659492936.db2.gz LACOCZHSBDOCPS-CQSZACIVSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000802654655 659492940 /nfs/dbraw/zinc/49/29/40/659492940.db2.gz LACOCZHSBDOCPS-CQSZACIVSA-N 1 2 398.301 2.902 20 5 GFBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@@H+]1C1CC1 ZINC000809395114 659926762 /nfs/dbraw/zinc/92/67/62/659926762.db2.gz HXRQFQJKDGUNQU-DTWKUNHWSA-N 1 2 394.280 2.805 20 5 GFBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC000809395114 659926764 /nfs/dbraw/zinc/92/67/64/659926764.db2.gz HXRQFQJKDGUNQU-DTWKUNHWSA-N 1 2 394.280 2.805 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000815038469 660105716 /nfs/dbraw/zinc/10/57/16/660105716.db2.gz JLIKWNFPBAOQJC-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000815038469 660105719 /nfs/dbraw/zinc/10/57/19/660105719.db2.gz JLIKWNFPBAOQJC-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866981474 662514351 /nfs/dbraw/zinc/51/43/51/662514351.db2.gz BWFGIHQTYNEFNP-LBPRGKRZSA-N 1 2 393.241 2.649 20 5 GFBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3ncccn3)CCOCC2)ccc1Br ZINC000923008075 664620924 /nfs/dbraw/zinc/62/09/24/664620924.db2.gz AYJBLCJSVZFKND-UHFFFAOYSA-N 1 2 393.241 2.943 20 5 GFBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc1Cl ZINC001165054271 722010474 /nfs/dbraw/zinc/01/04/74/722010474.db2.gz VNPXTYVVGHQDRK-UHFFFAOYSA-N 1 2 397.813 2.948 20 5 GFBDLO Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000044790421 551144884 /nfs/dbraw/zinc/14/48/84/551144884.db2.gz KQUIZHLFEZKDPO-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO Cc1c(Br)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000130011870 551360852 /nfs/dbraw/zinc/36/08/52/551360852.db2.gz COMWFQHSFSVIRI-JTQLQIEISA-N 1 2 381.230 2.928 20 5 GFBDLO 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564633858 /nfs/dbraw/zinc/63/38/58/564633858.db2.gz WFJYYCUSYLKXOA-UHFFFAOYSA-N 1 2 398.217 2.512 20 5 GFBDLO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Br)c1 ZINC000492193812 564799761 /nfs/dbraw/zinc/79/97/61/564799761.db2.gz BOCUVHXTZUVJPG-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462173595 564825414 /nfs/dbraw/zinc/82/54/14/564825414.db2.gz CZNHWHOVFMBGHQ-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462173595 564825416 /nfs/dbraw/zinc/82/54/16/564825416.db2.gz CZNHWHOVFMBGHQ-SNVBAGLBSA-N 1 2 382.269 2.664 20 5 GFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534301393 564985479 /nfs/dbraw/zinc/98/54/79/564985479.db2.gz HHKZRFAELXCRQN-UHFFFAOYSA-N 1 2 397.172 2.831 20 5 GFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972834 565146921 /nfs/dbraw/zinc/14/69/21/565146921.db2.gz IAKJKJUZJVHTMQ-LBPRGKRZSA-N 1 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GFBDLO C[C@@H]1C[N@H+](CCN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000789765793 657888530 /nfs/dbraw/zinc/88/85/30/657888530.db2.gz SSRKKTRTDKRYFM-BETUJISGSA-N 1 2 386.290 2.898 20 5 GFBDLO Cc1cc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000802819862 659511579 /nfs/dbraw/zinc/51/15/79/659511579.db2.gz HLXLYVPXCXEORK-UHFFFAOYSA-N 1 2 393.241 2.866 20 5 GFBDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023662 660103180 /nfs/dbraw/zinc/10/31/80/660103180.db2.gz ZTKBNWKQPTUALF-UHFFFAOYSA-N 1 2 388.808 2.673 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)ccc1Br ZINC000843415291 661380721 /nfs/dbraw/zinc/38/07/21/661380721.db2.gz IQVKGFBHTALMHL-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)ccc1Br ZINC000843415291 661380725 /nfs/dbraw/zinc/38/07/25/661380725.db2.gz IQVKGFBHTALMHL-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865159414 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563428462 /nfs/dbraw/zinc/42/84/62/563428462.db2.gz XNDPJULUUNCFRT-UHFFFAOYSA-N 1 2 394.273 2.721 20 5 GFBDLO Cc1c(CNc2[nH+]cnc3c2c(Br)nn3C)cccc1[N+](=O)[O-] ZINC000302739509 563429247 /nfs/dbraw/zinc/42/92/47/563429247.db2.gz YKEOBVCZRYKJOT-UHFFFAOYSA-N 1 2 377.202 2.955 20 5 GFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431123676 563554312 /nfs/dbraw/zinc/55/43/12/563554312.db2.gz DMDZQXGLKGIHFI-ZJUUUORDSA-N 1 2 394.229 2.825 20 5 GFBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094570 563647801 /nfs/dbraw/zinc/64/78/01/563647801.db2.gz SGWIRSMHQYEVEC-JQWIXIFHSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094570 563647803 /nfs/dbraw/zinc/64/78/03/563647803.db2.gz SGWIRSMHQYEVEC-JQWIXIFHSA-N 1 2 390.221 2.792 20 5 GFBDLO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000438303579 563703507 /nfs/dbraw/zinc/70/35/07/563703507.db2.gz KDQGOCDKAWBSMJ-UHFFFAOYSA-N 1 2 389.209 2.812 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000367831817 563857206 /nfs/dbraw/zinc/85/72/06/563857206.db2.gz NRKHTMOIQBPUGQ-UHFFFAOYSA-N 1 2 393.241 2.863 20 5 GFBDLO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301514 564273567 /nfs/dbraw/zinc/27/35/67/564273567.db2.gz CXDPKTSMPWBRHH-AWEZNQCLSA-N 1 2 381.479 2.551 20 5 GFBDLO CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301514 564273570 /nfs/dbraw/zinc/27/35/70/564273570.db2.gz CXDPKTSMPWBRHH-AWEZNQCLSA-N 1 2 381.479 2.551 20 5 GFBDLO Cc1c(Br)c(NCCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000542508698 564316205 /nfs/dbraw/zinc/31/62/05/564316205.db2.gz MRFDPRGOVNEZQB-UHFFFAOYSA-N 1 2 376.214 2.785 20 5 GFBDLO O=C(C[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897639 564363387 /nfs/dbraw/zinc/36/33/87/564363387.db2.gz IBWDYAWIXUDKCC-MRXNPFEDSA-N 1 2 398.257 2.798 20 5 GFBDLO O=C(C[N@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897639 564363388 /nfs/dbraw/zinc/36/33/88/564363388.db2.gz IBWDYAWIXUDKCC-MRXNPFEDSA-N 1 2 398.257 2.798 20 5 GFBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173411 564451491 /nfs/dbraw/zinc/45/14/91/564451491.db2.gz RSGVBKUUWBEIML-HZMBPMFUSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173411 564451493 /nfs/dbraw/zinc/45/14/93/564451493.db2.gz RSGVBKUUWBEIML-HZMBPMFUSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1cccc([N+](=O)[O-])c1 ZINC000453360246 564455265 /nfs/dbraw/zinc/45/52/65/564455265.db2.gz JWSLWSGFGWVESX-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459614055 564753798 /nfs/dbraw/zinc/75/37/98/564753798.db2.gz GVTODYWKFLDSDK-UHFFFAOYSA-N 1 2 388.205 2.812 20 5 GFBDLO Cc1cc[nH+]c(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1Cl ZINC000581743351 564817181 /nfs/dbraw/zinc/81/71/81/564817181.db2.gz QVZRTTDHHYEJRS-UHFFFAOYSA-N 1 2 384.845 2.879 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000462459651 564841559 /nfs/dbraw/zinc/84/15/59/564841559.db2.gz NOOPUGUETFLLOL-UHFFFAOYSA-N 1 2 394.280 2.807 20 5 GFBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460082 564901891 /nfs/dbraw/zinc/90/18/91/564901891.db2.gz WZMSWEYWIRDPDM-ZWNOBZJWSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460082 564901894 /nfs/dbraw/zinc/90/18/94/564901894.db2.gz WZMSWEYWIRDPDM-ZWNOBZJWSA-N 1 2 390.221 2.935 20 5 GFBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135115 565030180 /nfs/dbraw/zinc/03/01/80/565030180.db2.gz FYHVNOUBNCOFJW-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536135115 565030183 /nfs/dbraw/zinc/03/01/83/565030183.db2.gz FYHVNOUBNCOFJW-DTWKUNHWSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595861337 565494682 /nfs/dbraw/zinc/49/46/82/565494682.db2.gz TYPFWNMWVJSNAN-HZMBPMFUSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595861337 565494686 /nfs/dbraw/zinc/49/46/86/565494686.db2.gz TYPFWNMWVJSNAN-HZMBPMFUSA-N 1 2 390.221 2.650 20 5 GFBDLO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000275219342 655223533 /nfs/dbraw/zinc/22/35/33/655223533.db2.gz UDWLYKUSSQMCSS-UHFFFAOYSA-N 1 2 381.479 2.802 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155994 659169160 /nfs/dbraw/zinc/16/91/60/659169160.db2.gz JZQIJWSPGLVDLX-XWUBHJNHSA-N 1 2 387.278 2.773 20 5 GFBDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155994 659169164 /nfs/dbraw/zinc/16/91/64/659169164.db2.gz JZQIJWSPGLVDLX-XWUBHJNHSA-N 1 2 387.278 2.773 20 5 GFBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412169 661718539 /nfs/dbraw/zinc/71/85/39/661718539.db2.gz HFUQTMYGSCZMDY-SECBINFHSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412169 661718541 /nfs/dbraw/zinc/71/85/41/661718541.db2.gz HFUQTMYGSCZMDY-SECBINFHSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412567 661719041 /nfs/dbraw/zinc/71/90/41/661719041.db2.gz RTMVXZCPOXYWNC-SECBINFHSA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412567 661719050 /nfs/dbraw/zinc/71/90/50/661719050.db2.gz RTMVXZCPOXYWNC-SECBINFHSA-N 1 2 379.841 2.538 20 5 GFBDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000866629546 662484989 /nfs/dbraw/zinc/48/49/89/662484989.db2.gz IKFBCHLBHMRVIQ-SECBINFHSA-N 1 2 386.193 2.784 20 5 GFBDLO C[C@H]([NH2+]Cc1cn(C)nc1I)c1ccc([N+](=O)[O-])cc1 ZINC000894867889 663485574 /nfs/dbraw/zinc/48/55/74/663485574.db2.gz BUPCHZAACLTZOR-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO O=C(CNc1cccc[nH+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908070380 664081019 /nfs/dbraw/zinc/08/10/19/664081019.db2.gz ALQOMIADBXYJBD-UHFFFAOYSA-N 1 2 391.225 2.749 20 5 GFBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001165010340 721702435 /nfs/dbraw/zinc/70/24/35/721702435.db2.gz HKULDOUIQWPWAE-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001165010340 721702439 /nfs/dbraw/zinc/70/24/39/721702439.db2.gz HKULDOUIQWPWAE-UHFFFAOYSA-N 1 2 395.467 2.985 20 5 GFBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000151175053 551408514 /nfs/dbraw/zinc/40/85/14/551408514.db2.gz UYEPFVOLMWYHPS-SNVBAGLBSA-N 1 2 379.214 2.607 20 5 GFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179218631 552187377 /nfs/dbraw/zinc/18/73/77/552187377.db2.gz 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GFBDLO C[NH+]1CCN(C[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393964 563720935 /nfs/dbraw/zinc/72/09/35/563720935.db2.gz XFSONTKOIMWFIR-AWEZNQCLSA-N 1 2 397.317 2.821 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000292973554 563798041 /nfs/dbraw/zinc/79/80/41/563798041.db2.gz ATVLRDZWGHSTQA-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000292973554 563798043 /nfs/dbraw/zinc/79/80/43/563798043.db2.gz ATVLRDZWGHSTQA-CYBMUJFWSA-N 1 2 376.194 2.546 20 5 GFBDLO Cc1c(Br)cc(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000512680602 564408638 /nfs/dbraw/zinc/40/86/38/564408638.db2.gz OZPZKSIFHWRSLT-UHFFFAOYSA-N 1 2 379.214 2.903 20 5 GFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512780280 564410537 /nfs/dbraw/zinc/41/05/37/564410537.db2.gz YXKPVNLXNUMVJR-TZMCWYRMSA-N 1 2 381.479 2.770 20 5 GFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512780280 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385.262 2.545 20 5 GFBDLO C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646863 565631262 /nfs/dbraw/zinc/63/12/62/565631262.db2.gz LTHKFAIRVOHERQ-ZYHUDNBSSA-N 1 2 390.221 2.650 20 5 GFBDLO C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646863 565631268 /nfs/dbraw/zinc/63/12/68/565631268.db2.gz LTHKFAIRVOHERQ-ZYHUDNBSSA-N 1 2 390.221 2.650 20 5 GFBDLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602718696 565865439 /nfs/dbraw/zinc/86/54/39/565865439.db2.gz QATNRMCIPRCCMC-SNVBAGLBSA-N 1 2 388.287 2.863 20 5 GFBDLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602718696 565865441 /nfs/dbraw/zinc/86/54/41/565865441.db2.gz QATNRMCIPRCCMC-SNVBAGLBSA-N 1 2 388.287 2.863 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000779917791 656963987 /nfs/dbraw/zinc/96/39/87/656963987.db2.gz NGYUDXIXVAPCSD-VXGBXAGGSA-N 1 2 375.878 2.660 20 5 GFBDLO 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O=c1c(Br)cn(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000188081916 552434067 /nfs/dbraw/zinc/43/40/67/552434067.db2.gz KHENPMIBQAOMLY-UHFFFAOYSA-N 1 2 375.182 2.753 20 5 GFBDLO Cc1ccc[nH+]c1CCCNc1c(I)cncc1[N+](=O)[O-] ZINC000419004699 563232227 /nfs/dbraw/zinc/23/22/27/563232227.db2.gz YODRGWWUWFQLLP-UHFFFAOYSA-N 1 2 398.204 2.764 20 5 GFBDLO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000425471845 563423967 /nfs/dbraw/zinc/42/39/67/563423967.db2.gz IISRDZZYUSUANW-UHFFFAOYSA-N 1 2 386.290 2.900 20 5 GFBDLO C[C@H]([C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000291606261 563750089 /nfs/dbraw/zinc/75/00/89/563750089.db2.gz XSPSERHFSXZHRD-VHSXEESVSA-N 1 2 376.240 2.741 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000472342848 564221919 /nfs/dbraw/zinc/22/19/19/564221919.db2.gz CITGNIHHNBDCMW-UHFFFAOYSA-N 1 2 391.236 2.687 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510387453 564332138 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20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000556568367 564830907 /nfs/dbraw/zinc/83/09/07/564830907.db2.gz HYPVNGCGMFHHOK-JTQLQIEISA-N 1 2 379.214 2.607 20 5 GFBDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000462872479 564861617 /nfs/dbraw/zinc/86/16/17/564861617.db2.gz DYDLATLAWXBROQ-GFCCVEGCSA-N 1 2 376.194 2.545 20 5 GFBDLO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000462872479 564861619 /nfs/dbraw/zinc/86/16/19/564861619.db2.gz DYDLATLAWXBROQ-GFCCVEGCSA-N 1 2 376.194 2.545 20 5 GFBDLO C[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593021 564898579 /nfs/dbraw/zinc/89/85/79/564898579.db2.gz IBZRQJZBWSKJME-HZMBPMFUSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593021 564898581 /nfs/dbraw/zinc/89/85/81/564898581.db2.gz IBZRQJZBWSKJME-HZMBPMFUSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057541 565187756 /nfs/dbraw/zinc/18/77/56/565187756.db2.gz NCWDFCIRKGMIEB-XJKSGUPXSA-N 1 2 384.274 2.701 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000591845558 565241495 /nfs/dbraw/zinc/24/14/95/565241495.db2.gz KWONMFUXMKZCMS-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000591845558 565241497 /nfs/dbraw/zinc/24/14/97/565241497.db2.gz KWONMFUXMKZCMS-UHFFFAOYSA-N 1 2 385.258 2.986 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000594016808 565372283 /nfs/dbraw/zinc/37/22/83/565372283.db2.gz IQJNVKMYMVDGRP-ZDUSSCGKSA-N 1 2 390.221 2.936 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000594016808 565372288 /nfs/dbraw/zinc/37/22/88/565372288.db2.gz IQJNVKMYMVDGRP-ZDUSSCGKSA-N 1 2 390.221 2.936 20 5 GFBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595734089 565489666 /nfs/dbraw/zinc/48/96/66/565489666.db2.gz UWSIGWHGUJZOII-MSRIBSCDSA-N 1 2 390.221 2.648 20 5 GFBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595734089 565489672 /nfs/dbraw/zinc/48/96/72/565489672.db2.gz UWSIGWHGUJZOII-MSRIBSCDSA-N 1 2 390.221 2.648 20 5 GFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000602942189 565875482 /nfs/dbraw/zinc/87/54/82/565875482.db2.gz LKPINYOKNOLQOF-UHFFFAOYSA-N 1 2 386.193 2.863 20 5 GFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000602942189 565875487 /nfs/dbraw/zinc/87/54/87/565875487.db2.gz LKPINYOKNOLQOF-UHFFFAOYSA-N 1 2 386.193 2.863 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609134802 566030946 /nfs/dbraw/zinc/03/09/46/566030946.db2.gz ZJCLSCNGHNCMTI-LBPRGKRZSA-N 1 2 384.845 2.779 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC000060499110 654830710 /nfs/dbraw/zinc/83/07/10/654830710.db2.gz WPNWSABLQICSJE-OAHLLOKOSA-N 1 2 383.495 2.854 20 5 GFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269267307 655003659 /nfs/dbraw/zinc/00/36/59/655003659.db2.gz DRCGRTRSGPOPCD-NSHDSACASA-N 1 2 384.845 2.848 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000102775693 655060578 /nfs/dbraw/zinc/06/05/78/655060578.db2.gz PQKZCJFQGBYOGA-LLVKDONJSA-N 1 2 387.508 2.833 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3c[nH+]ccc32)ccc1Br ZINC000121292103 655349120 /nfs/dbraw/zinc/34/91/20/655349120.db2.gz BXLVYDMBFYMEEC-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO CS[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840115841 661134881 /nfs/dbraw/zinc/13/48/81/661134881.db2.gz XFZYJIFPXFFKGB-JTQLQIEISA-N 1 2 386.271 2.708 20 5 GFBDLO CS[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000840115841 661134882 /nfs/dbraw/zinc/13/48/82/661134882.db2.gz XFZYJIFPXFFKGB-JTQLQIEISA-N 1 2 386.271 2.708 20 5 GFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c[nH+]1 ZINC000746601193 655764729 /nfs/dbraw/zinc/76/47/29/655764729.db2.gz WLELJGURRJLHPB-UHFFFAOYSA-N 1 2 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O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000371754551 563286762 /nfs/dbraw/zinc/28/67/62/563286762.db2.gz UKAXBFASFPYYCK-HNNXBMFYSA-N 1 2 378.226 2.966 20 5 GFBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000375249213 563396993 /nfs/dbraw/zinc/39/69/93/563396993.db2.gz NHGDNLKSBFIJTE-IAQYHMDHSA-N 1 2 394.229 2.523 20 5 GFBDLO CC(C)(C)CC[NH+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301941644 563416860 /nfs/dbraw/zinc/41/68/60/563416860.db2.gz WBZKCJSNBXFZLI-UHFFFAOYSA-N 1 2 375.516 2.618 20 5 GFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429948805 563529575 /nfs/dbraw/zinc/52/95/75/563529575.db2.gz USTAGBWULMZAMW-UHFFFAOYSA-N 1 2 389.209 2.978 20 5 GFBDLO Cc1c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323101 563647472 /nfs/dbraw/zinc/64/74/72/563647472.db2.gz JOLXGARYKXPSDF-LLVKDONJSA-N 1 2 394.229 2.999 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000361790947 563701358 /nfs/dbraw/zinc/70/13/58/563701358.db2.gz WSTXDFGRXWBHJP-NSHDSACASA-N 1 2 379.214 2.721 20 5 GFBDLO Cc1cc(Br)cc2c1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000538277676 564186365 /nfs/dbraw/zinc/18/63/65/564186365.db2.gz CPFOODGNARQQDF-UHFFFAOYSA-N 1 2 392.253 2.886 20 5 GFBDLO Cc1cc(Br)cc2c1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000538277676 564186368 /nfs/dbraw/zinc/18/63/68/564186368.db2.gz CPFOODGNARQQDF-UHFFFAOYSA-N 1 2 392.253 2.886 20 5 GFBDLO CCOCC[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544223468 564379404 /nfs/dbraw/zinc/37/94/04/564379404.db2.gz JLBMEWTVBMZLNS-UHFFFAOYSA-N 1 2 387.889 2.521 20 5 GFBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[nH+]c12 ZINC000546824203 564469818 /nfs/dbraw/zinc/46/98/18/564469818.db2.gz WCJILNKTSOARJT-UHFFFAOYSA-N 1 2 378.186 2.572 20 5 GFBDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000571882183 564571028 /nfs/dbraw/zinc/57/10/28/564571028.db2.gz RJBBMKNINLQJMH-UHFFFAOYSA-N 1 2 382.467 2.619 20 5 GFBDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000571882183 564571031 /nfs/dbraw/zinc/57/10/31/564571031.db2.gz RJBBMKNINLQJMH-UHFFFAOYSA-N 1 2 382.467 2.619 20 5 GFBDLO Cc1c(NC(=O)NCCc2cn(C)c[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000459549504 564750602 /nfs/dbraw/zinc/75/06/02/564750602.db2.gz RSSQGKVXDRTTOE-UHFFFAOYSA-N 1 2 382.218 2.763 20 5 GFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000580590267 564765868 /nfs/dbraw/zinc/76/58/68/564765868.db2.gz ZBRLFQAJECHDLF-ZDUSSCGKSA-N 1 2 379.214 2.972 20 5 GFBDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410074 564890529 /nfs/dbraw/zinc/89/05/29/564890529.db2.gz SBCMVKUOVSNVNU-JQWIXIFHSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410074 564890530 /nfs/dbraw/zinc/89/05/30/564890530.db2.gz SBCMVKUOVSNVNU-JQWIXIFHSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000533009335 564951852 /nfs/dbraw/zinc/95/18/52/564951852.db2.gz RJQYCEMMXLEQTD-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO Cc1sc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000467394581 564961705 /nfs/dbraw/zinc/96/17/05/564961705.db2.gz PWQHIDFWRUZDOL-UHFFFAOYSA-N 1 2 387.527 2.851 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000589252198 565157679 /nfs/dbraw/zinc/15/76/79/565157679.db2.gz ILWMXCBAXMATCF-GFCCVEGCSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000589252198 565157685 /nfs/dbraw/zinc/15/76/85/565157685.db2.gz ILWMXCBAXMATCF-GFCCVEGCSA-N 1 2 376.194 2.546 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000589253179 565157730 /nfs/dbraw/zinc/15/77/30/565157730.db2.gz JGSLHBICIUPQTH-NSHDSACASA-N 1 2 390.221 2.794 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000589253179 565157731 /nfs/dbraw/zinc/15/77/31/565157731.db2.gz JGSLHBICIUPQTH-NSHDSACASA-N 1 2 390.221 2.794 20 5 GFBDLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352715 565467304 /nfs/dbraw/zinc/46/73/04/565467304.db2.gz BZFSWTNZKCOPMN-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352715 565467309 /nfs/dbraw/zinc/46/73/09/565467309.db2.gz BZFSWTNZKCOPMN-JTQLQIEISA-N 1 2 382.269 2.664 20 5 GFBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751189 565490324 /nfs/dbraw/zinc/49/03/24/565490324.db2.gz WKQDEFWDXGVCMH-AWEZNQCLSA-N 1 2 386.235 2.729 20 5 GFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751189 565490328 /nfs/dbraw/zinc/49/03/28/565490328.db2.gz WKQDEFWDXGVCMH-AWEZNQCLSA-N 1 2 386.235 2.729 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cn3cc(Br)ccc3n1)CC2 ZINC000612469327 566163802 /nfs/dbraw/zinc/16/38/02/566163802.db2.gz OLXIIJLEZCPNPQ-UHFFFAOYSA-N 1 2 388.225 2.958 20 5 GFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn3cc(Br)ccc3n1)CC2 ZINC000612469327 566163808 /nfs/dbraw/zinc/16/38/08/566163808.db2.gz OLXIIJLEZCPNPQ-UHFFFAOYSA-N 1 2 388.225 2.958 20 5 GFBDLO Cc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1[N+](=O)[O-] ZINC000826288242 608639953 /nfs/dbraw/zinc/63/99/53/608639953.db2.gz XHDHYBWSWHLPMW-UHFFFAOYSA-N 1 2 397.414 2.545 20 5 GFBDLO CC[C@@H](C)[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000829244296 660586233 /nfs/dbraw/zinc/58/62/33/660586233.db2.gz VOKGDMLYRDHMSA-LLVKDONJSA-N 1 2 377.413 2.512 20 5 GFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269298986 655004868 /nfs/dbraw/zinc/00/48/68/655004868.db2.gz QQAZQGZBJPWDRI-UHFFFAOYSA-N 1 2 384.845 2.848 20 5 GFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601222 661094800 /nfs/dbraw/zinc/09/48/00/661094800.db2.gz PLHQLHUUJVPFCY-OCCSQVGLSA-N 1 2 384.274 2.652 20 5 GFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000118956298 655284320 /nfs/dbraw/zinc/28/43/20/655284320.db2.gz SADLWHJWYUQGCA-LBPRGKRZSA-N 1 2 391.225 2.761 20 5 GFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)cc1Br ZINC000840326239 661154908 /nfs/dbraw/zinc/15/49/08/661154908.db2.gz BPZXYBUCWRMJCR-UHFFFAOYSA-N 1 2 397.229 2.922 20 5 GFBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000725823623 655527043 /nfs/dbraw/zinc/52/70/43/655527043.db2.gz ZHATXBOLIQABOG-ZDUSSCGKSA-N 1 2 389.886 2.891 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000779436410 656926277 /nfs/dbraw/zinc/92/62/77/656926277.db2.gz IRTBTAMIYNRXOI-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000779436410 656926284 /nfs/dbraw/zinc/92/62/84/656926284.db2.gz IRTBTAMIYNRXOI-GFCCVEGCSA-N 1 2 378.230 2.834 20 5 GFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CCCSCC1 ZINC000795404287 658814263 /nfs/dbraw/zinc/81/42/63/658814263.db2.gz DTWSKYKXEDZZQE-UHFFFAOYSA-N 1 2 386.271 2.710 20 5 GFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CCCSCC1 ZINC000795404287 658814269 /nfs/dbraw/zinc/81/42/69/658814269.db2.gz DTWSKYKXEDZZQE-UHFFFAOYSA-N 1 2 386.271 2.710 20 5 GFBDLO CC1(C)C[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CCCO1 ZINC000795427694 658817269 /nfs/dbraw/zinc/81/72/69/658817269.db2.gz LQFDYRSPRCHNRH-UHFFFAOYSA-N 1 2 398.257 2.772 20 5 GFBDLO CC1(C)C[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CCCO1 ZINC000795427694 658817271 /nfs/dbraw/zinc/81/72/71/658817271.db2.gz LQFDYRSPRCHNRH-UHFFFAOYSA-N 1 2 398.257 2.772 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000848509160 661658937 /nfs/dbraw/zinc/65/89/37/661658937.db2.gz UQNIDFPSOINVMH-STQMWFEESA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000848509160 661658940 /nfs/dbraw/zinc/65/89/40/661658940.db2.gz UQNIDFPSOINVMH-STQMWFEESA-N 1 2 391.852 2.683 20 5 GFBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865159415 662401683 /nfs/dbraw/zinc/40/16/83/662401683.db2.gz RETKNKPBWOXRFJ-ZDUSSCGKSA-N 1 2 393.241 2.960 20 5 GFBDLO Cc1csc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880010193 662945215 /nfs/dbraw/zinc/94/52/15/662945215.db2.gz VLJJZVHFRZPDIS-ZDUSSCGKSA-N 1 2 381.479 2.623 20 5 GFBDLO Cc1csc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880010193 662945217 /nfs/dbraw/zinc/94/52/17/662945217.db2.gz VLJJZVHFRZPDIS-ZDUSSCGKSA-N 1 2 381.479 2.623 20 5 GFBDLO C[C@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1[N+](=O)[O-] ZINC000894370926 663458789 /nfs/dbraw/zinc/45/87/89/663458789.db2.gz RUCRHRUWGNBCFI-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000927766100 664715416 /nfs/dbraw/zinc/71/54/16/664715416.db2.gz KHFWBPJRLQDOFY-UHFFFAOYSA-N 1 2 399.270 2.805 20 5 GFBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000057020966 222028645 /nfs/dbraw/zinc/02/86/45/222028645.db2.gz MWSYAQZVYKCDRK-UHFFFAOYSA-N 1 2 392.824 2.912 20 5 GFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000152458680 551433690 /nfs/dbraw/zinc/43/36/90/551433690.db2.gz NMHHFTHKSUFANW-UHFFFAOYSA-N 1 2 394.273 2.721 20 5 GFBDLO CC1(C)C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000182573613 552287707 /nfs/dbraw/zinc/28/77/07/552287707.db2.gz OCDODWHGCNBIIW-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO CC1(C)C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000182573613 552287709 /nfs/dbraw/zinc/28/77/09/552287709.db2.gz OCDODWHGCNBIIW-UHFFFAOYSA-N 1 2 387.889 2.567 20 5 GFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261715861 553157448 /nfs/dbraw/zinc/15/74/48/553157448.db2.gz MYPMOOWNNLVATO-OAHLLOKOSA-N 1 2 381.841 2.583 20 5 GFBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000295319339 563242019 /nfs/dbraw/zinc/24/20/19/563242019.db2.gz PNIZZMYOACSUOI-ZDUSSCGKSA-N 1 2 384.845 2.754 20 5 GFBDLO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000278542950 563260804 /nfs/dbraw/zinc/26/08/04/563260804.db2.gz SHNSOHJPENQVBH-JTQLQIEISA-N 1 2 377.388 2.667 20 5 GFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)cc[nH+]1 ZINC000302140500 563422016 /nfs/dbraw/zinc/42/20/16/563422016.db2.gz DQGROGHGOIAXLZ-UHFFFAOYSA-N 1 2 378.230 2.782 20 5 GFBDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350360 563503562 /nfs/dbraw/zinc/50/35/62/563503562.db2.gz RRWQXWXKOOTYQC-CYBMUJFWSA-N 1 2 382.258 2.848 20 5 GFBDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350360 563503565 /nfs/dbraw/zinc/50/35/65/563503565.db2.gz RRWQXWXKOOTYQC-CYBMUJFWSA-N 1 2 382.258 2.848 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)cc1 ZINC000477094432 564364637 /nfs/dbraw/zinc/36/46/37/564364637.db2.gz XQUVNJLBBJZYCB-UHFFFAOYSA-N 1 2 396.222 2.979 20 5 GFBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850075 564491352 /nfs/dbraw/zinc/49/13/52/564491352.db2.gz GUKNIKIBWVSTJB-PELKAZGASA-N 1 2 394.280 2.663 20 5 GFBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850075 564491358 /nfs/dbraw/zinc/49/13/58/564491358.db2.gz GUKNIKIBWVSTJB-PELKAZGASA-N 1 2 394.280 2.663 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000499097151 564918404 /nfs/dbraw/zinc/91/84/04/564918404.db2.gz NPHCEMWTACIJCL-CQSZACIVSA-N 1 2 387.845 2.731 20 5 GFBDLO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCOC ZINC000499643432 564932567 /nfs/dbraw/zinc/93/25/67/564932567.db2.gz YAULBAVYMXDRTF-LBPRGKRZSA-N 1 2 387.278 2.689 20 5 GFBDLO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CCOC ZINC000499643432 564932570 /nfs/dbraw/zinc/93/25/70/564932570.db2.gz YAULBAVYMXDRTF-LBPRGKRZSA-N 1 2 387.278 2.689 20 5 GFBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584747832 565094854 /nfs/dbraw/zinc/09/48/54/565094854.db2.gz BMHKRLXEPRJRSR-UWVGGRQHSA-N 1 2 390.221 2.933 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000589253178 565157315 /nfs/dbraw/zinc/15/73/15/565157315.db2.gz JGSLHBICIUPQTH-LLVKDONJSA-N 1 2 390.221 2.794 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000589253178 565157319 /nfs/dbraw/zinc/15/73/19/565157319.db2.gz JGSLHBICIUPQTH-LLVKDONJSA-N 1 2 390.221 2.794 20 5 GFBDLO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)cn1 ZINC000598613575 565629010 /nfs/dbraw/zinc/62/90/10/565629010.db2.gz JXWOPFVXNKHRRX-UHFFFAOYSA-N 1 2 396.245 2.795 20 5 GFBDLO O=[N+]([O-])c1sc(CN2CCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000602447970 565848684 /nfs/dbraw/zinc/84/86/84/565848684.db2.gz IVGDDVRNVPKLFL-NSHDSACASA-N 1 2 390.303 2.715 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1Br ZINC000602447970 565848685 /nfs/dbraw/zinc/84/86/85/565848685.db2.gz IVGDDVRNVPKLFL-NSHDSACASA-N 1 2 390.303 2.715 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1Br ZINC000602447970 565848689 /nfs/dbraw/zinc/84/86/89/565848689.db2.gz IVGDDVRNVPKLFL-NSHDSACASA-N 1 2 390.303 2.715 20 5 GFBDLO Cc1nc(N2CCN(Cc3cc(Br)c([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000602613057 565857531 /nfs/dbraw/zinc/85/75/31/565857531.db2.gz MNEULOSMQISMSS-UHFFFAOYSA-N 1 2 398.286 2.839 20 5 GFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663215 565860972 /nfs/dbraw/zinc/86/09/72/565860972.db2.gz QUZYYEYJYMLBNY-WDEREUQCSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663215 565860977 /nfs/dbraw/zinc/86/09/77/565860977.db2.gz QUZYYEYJYMLBNY-WDEREUQCSA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663215 565860980 /nfs/dbraw/zinc/86/09/80/565860980.db2.gz QUZYYEYJYMLBNY-WDEREUQCSA-N 1 2 390.303 2.714 20 5 GFBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602669543 565862725 /nfs/dbraw/zinc/86/27/25/565862725.db2.gz JKSRNOCTRJXVGE-LLVKDONJSA-N 1 2 380.388 2.870 20 5 GFBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602669543 565862727 /nfs/dbraw/zinc/86/27/27/565862727.db2.gz JKSRNOCTRJXVGE-LLVKDONJSA-N 1 2 380.388 2.870 20 5 GFBDLO Cc1cccn2cc(CCNc3c(Br)cncc3[N+](=O)[O-])[nH+]c12 ZINC000611153175 566117159 /nfs/dbraw/zinc/11/71/59/566117159.db2.gz SJKJKTFYJYBNGQ-UHFFFAOYSA-N 1 2 376.214 2.785 20 5 GFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000826271567 609563656 /nfs/dbraw/zinc/56/36/56/609563656.db2.gz XGLMHEIHTARVJS-LBPRGKRZSA-N 1 2 395.427 2.996 20 5 GFBDLO O=[N+]([O-])c1c(Br)cccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000820651639 660301587 /nfs/dbraw/zinc/30/15/87/660301587.db2.gz IJPTXHMBWFSIIZ-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GFBDLO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000064126897 654862472 /nfs/dbraw/zinc/86/24/72/654862472.db2.gz LNUSNTRSKZEBPS-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000268101737 654959052 /nfs/dbraw/zinc/95/90/52/654959052.db2.gz BGLIKNYACXYEEU-UHFFFAOYSA-N 1 2 384.845 2.848 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCNc1cccc[nH+]1 ZINC000119292973 655297292 /nfs/dbraw/zinc/29/72/92/655297292.db2.gz POQDUMKORCLIDC-UHFFFAOYSA-N 1 2 393.241 2.913 20 5 GFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCCn2cc[nH+]c2)cc1Br ZINC000758830573 655942198 /nfs/dbraw/zinc/94/21/98/655942198.db2.gz SWLCVUIWFAOHHF-UHFFFAOYSA-N 1 2 383.202 2.843 20 5 GFBDLO CO[C@@H]1C[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@H]1C ZINC000795453540 658821478 /nfs/dbraw/zinc/82/14/78/658821478.db2.gz RGNPMFGAUAWNGS-MEBBXXQBSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@@H]1C[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@H]1C ZINC000795453540 658821482 /nfs/dbraw/zinc/82/14/82/658821482.db2.gz RGNPMFGAUAWNGS-MEBBXXQBSA-N 1 2 398.257 2.627 20 5 GFBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390809 659925786 /nfs/dbraw/zinc/92/57/86/659925786.db2.gz INILBVQIVOPCDO-SNVBAGLBSA-N 1 2 396.296 2.912 20 5 GFBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390809 659925788 /nfs/dbraw/zinc/92/57/88/659925788.db2.gz INILBVQIVOPCDO-SNVBAGLBSA-N 1 2 396.296 2.912 20 5 GFBDLO C[NH+]1CCN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213949 662464615 /nfs/dbraw/zinc/46/46/15/662464615.db2.gz DOKBOIJBCXVHGK-UHFFFAOYSA-N 1 2 383.290 2.574 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061820 664784395 /nfs/dbraw/zinc/78/43/95/664784395.db2.gz LPDQKZDHHRFQCP-CYBMUJFWSA-N 1 2 385.262 2.545 20 5 GFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061820 664784396 /nfs/dbraw/zinc/78/43/96/664784396.db2.gz LPDQKZDHHRFQCP-CYBMUJFWSA-N 1 2 385.262 2.545 20 5 GFBDLO O=C1N[C@@H](C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CO1 ZINC000932771586 664836635 /nfs/dbraw/zinc/83/66/35/664836635.db2.gz VOTUZABZIVNLSK-CYBMUJFWSA-N 1 2 384.230 2.678 20 5 GFBDLO Cc1cc(C[NH+]2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)on1 ZINC000301339967 563400749 /nfs/dbraw/zinc/40/07/49/563400749.db2.gz ICMYFYQXYDBCFX-UHFFFAOYSA-N 1 2 381.230 2.976 20 5 GFBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094568 563647518 /nfs/dbraw/zinc/64/75/18/563647518.db2.gz SGWIRSMHQYEVEC-CMPLNLGQSA-N 1 2 390.221 2.792 20 5 GFBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094568 563647520 /nfs/dbraw/zinc/64/75/20/563647520.db2.gz SGWIRSMHQYEVEC-CMPLNLGQSA-N 1 2 390.221 2.792 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367368470 563842188 /nfs/dbraw/zinc/84/21/88/563842188.db2.gz TZKKZCPKTMEENG-VIFPVBQESA-N 1 2 379.214 2.676 20 5 GFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367368470 563842189 /nfs/dbraw/zinc/84/21/89/563842189.db2.gz TZKKZCPKTMEENG-VIFPVBQESA-N 1 2 379.214 2.676 20 5 GFBDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000542220225 564304651 /nfs/dbraw/zinc/30/46/51/564304651.db2.gz XXIMUGKXGMNWLI-UHFFFAOYSA-N 1 2 388.496 2.680 20 5 GFBDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000542220225 564304653 /nfs/dbraw/zinc/30/46/53/564304653.db2.gz XXIMUGKXGMNWLI-UHFFFAOYSA-N 1 2 388.496 2.680 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510387451 564332037 /nfs/dbraw/zinc/33/20/37/564332037.db2.gz WQTMKMRIABIWPT-AWEZNQCLSA-N 1 2 384.845 2.720 20 5 GFBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482995249 564555457 /nfs/dbraw/zinc/55/54/57/564555457.db2.gz XEJQWSXFMWAWGP-VIFPVBQESA-N 1 2 379.214 2.702 20 5 GFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000531656907 564917042 /nfs/dbraw/zinc/91/70/42/564917042.db2.gz RNFKPWCEDHAWDA-KGLIPLIRSA-N 1 2 385.262 2.808 20 5 GFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000531656901 564917080 /nfs/dbraw/zinc/91/70/80/564917080.db2.gz RNFKPWCEDHAWDA-KBPBESRZSA-N 1 2 385.262 2.808 20 5 GFBDLO O=C(C[N@@H+]1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464814139 564919612 /nfs/dbraw/zinc/91/96/12/564919612.db2.gz OVJPHQLLCPFOCO-UHFFFAOYSA-N 1 2 398.257 2.798 20 5 GFBDLO O=C(C[N@H+]1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464814139 564919617 /nfs/dbraw/zinc/91/96/17/564919617.db2.gz OVJPHQLLCPFOCO-UHFFFAOYSA-N 1 2 398.257 2.798 20 5 GFBDLO Cc1cc(NCc2n[nH]cc2Br)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000535230295 565007891 /nfs/dbraw/zinc/00/78/91/565007891.db2.gz RAECZJVPLAWTRM-UHFFFAOYSA-N 1 2 389.213 2.880 20 5 GFBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000596086765 565513309 /nfs/dbraw/zinc/51/33/09/565513309.db2.gz BIFSGKOVPRDLFR-INIZCTEOSA-N 1 2 387.889 2.877 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599034962 565654158 /nfs/dbraw/zinc/65/41/58/565654158.db2.gz JNSGPCDJAOIGCQ-UHFFFAOYSA-N 1 2 393.241 2.863 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599724837 565698271 /nfs/dbraw/zinc/69/82/71/565698271.db2.gz YREHSEIHOWYZEJ-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCSCC3)c2)nc2sccn21 ZINC000601240929 565772053 /nfs/dbraw/zinc/77/20/53/565772053.db2.gz RHTAVGGLEJYJRT-UHFFFAOYSA-N 1 2 376.467 2.864 20 5 GFBDLO COc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Br)cn1 ZINC000602963313 565877027 /nfs/dbraw/zinc/87/70/27/565877027.db2.gz VDKQWYKVEXYTMM-MRXNPFEDSA-N 1 2 396.241 2.758 20 5 GFBDLO Cc1cc(Br)cn2cc(CCNc3ccncc3[N+](=O)[O-])[nH+]c12 ZINC000612453402 566163659 /nfs/dbraw/zinc/16/36/59/566163659.db2.gz AKEGVTJHQISWEU-UHFFFAOYSA-N 1 2 376.214 2.785 20 5 GFBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824627074 608488753 /nfs/dbraw/zinc/48/87/53/608488753.db2.gz TXZCQEZWKZLZKB-NSHDSACASA-N 1 2 392.379 2.676 20 5 GFBDLO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000129085949 654856303 /nfs/dbraw/zinc/85/63/03/654856303.db2.gz AVWDVXQUFUFCTA-ZDUSSCGKSA-N 1 2 387.458 2.914 20 5 GFBDLO C[C@@]12CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(Cl)Cl ZINC000792910938 658329038 /nfs/dbraw/zinc/32/90/38/658329038.db2.gz WHVCXEDQFXRURM-GOEBONIOSA-N 1 2 384.263 3.000 20 5 GFBDLO C[C@@]12CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(Cl)Cl ZINC000792910938 658329058 /nfs/dbraw/zinc/32/90/58/658329058.db2.gz WHVCXEDQFXRURM-GOEBONIOSA-N 1 2 384.263 3.000 20 5 GFBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000798226331 659085211 /nfs/dbraw/zinc/08/52/11/659085211.db2.gz HYPAIGRLCKUTBI-LLVKDONJSA-N 1 2 393.868 2.786 20 5 GFBDLO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227609 659086855 /nfs/dbraw/zinc/08/68/55/659086855.db2.gz VRRBIGPAPUHILJ-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813448238 660054358 /nfs/dbraw/zinc/05/43/58/660054358.db2.gz LTDBIWKCJCQUCC-UHFFFAOYSA-N 1 2 376.240 2.696 20 5 GFBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000814996336 660100555 /nfs/dbraw/zinc/10/05/55/660100555.db2.gz XCXFNXIAWDCDKH-JTQLQIEISA-N 1 2 379.841 2.540 20 5 GFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000883288129 663052407 /nfs/dbraw/zinc/05/24/07/663052407.db2.gz SILBVKWTGUTCDF-UHFFFAOYSA-N 1 2 380.198 2.813 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC000930367961 664768379 /nfs/dbraw/zinc/76/83/79/664768379.db2.gz QOQGZXJBRBMMOM-XMZIXOGTSA-N 1 2 383.242 2.519 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC000930367961 664768382 /nfs/dbraw/zinc/76/83/82/664768382.db2.gz QOQGZXJBRBMMOM-XMZIXOGTSA-N 1 2 383.242 2.519 20 5 GFBDLO Cn1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053760193 222012569 /nfs/dbraw/zinc/01/25/69/222012569.db2.gz UONBJHWASHDOEF-UHFFFAOYSA-N 1 2 398.448 2.692 20 5 GFBDLO Cn1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053760193 222012572 /nfs/dbraw/zinc/01/25/72/222012572.db2.gz UONBJHWASHDOEF-UHFFFAOYSA-N 1 2 398.448 2.692 20 5 GFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000018899278 551113888 /nfs/dbraw/zinc/11/38/88/551113888.db2.gz NQMIYUAKRIFFFP-UHFFFAOYSA-N 1 2 380.857 2.731 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000179216221 552187379 /nfs/dbraw/zinc/18/73/79/552187379.db2.gz QYYKYLWWUWVCQB-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000179216221 552187380 /nfs/dbraw/zinc/18/73/80/552187380.db2.gz QYYKYLWWUWVCQB-UHFFFAOYSA-N 1 2 378.226 2.577 20 5 GFBDLO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185088807 552353506 /nfs/dbraw/zinc/35/35/06/552353506.db2.gz JIZOBIYVDLJYLC-CYBMUJFWSA-N 1 2 398.213 2.602 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000371045274 563263604 /nfs/dbraw/zinc/26/36/04/563263604.db2.gz RXLSKWYIURHYOF-JTQLQIEISA-N 1 2 379.214 2.721 20 5 GFBDLO O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000374038231 563359320 /nfs/dbraw/zinc/35/93/20/563359320.db2.gz NVTCKQYSJDFAGW-LLVKDONJSA-N 1 2 388.251 2.838 20 5 GFBDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000375561595 563409592 /nfs/dbraw/zinc/40/95/92/563409592.db2.gz ZCWAKEWLENQRGW-UHFFFAOYSA-N 1 2 380.202 2.910 20 5 GFBDLO CN(CCCn1cc[nH+]c1)c1ccc(I)cc1[N+](=O)[O-] ZINC000301708768 563411120 /nfs/dbraw/zinc/41/11/20/563411120.db2.gz TZHFKODFIJIMDR-UHFFFAOYSA-N 1 2 386.193 2.922 20 5 GFBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000431575874 563563387 /nfs/dbraw/zinc/56/33/87/563563387.db2.gz DRFJNNAXBXBELO-UHFFFAOYSA-N 1 2 392.220 2.784 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCO[C@H](CF)C2)c1 ZINC000411852349 563637601 /nfs/dbraw/zinc/63/76/01/563637601.db2.gz HMWWHWDQDMTJHD-CYBMUJFWSA-N 1 2 394.184 2.760 20 5 GFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCO[C@H](CF)C2)c1 ZINC000411852349 563637605 /nfs/dbraw/zinc/63/76/05/563637605.db2.gz HMWWHWDQDMTJHD-CYBMUJFWSA-N 1 2 394.184 2.760 20 5 GFBDLO CCC1(O)CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289715732 563684358 /nfs/dbraw/zinc/68/43/58/563684358.db2.gz GPHABADLTYMTFK-UHFFFAOYSA-N 1 2 390.221 2.936 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC000497783230 564876476 /nfs/dbraw/zinc/87/64/76/564876476.db2.gz WPNWSABLQICSJE-HNNXBMFYSA-N 1 2 383.495 2.854 20 5 GFBDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501438163 564979742 /nfs/dbraw/zinc/97/97/42/564979742.db2.gz YLYVEITXTJIPEX-LBPRGKRZSA-N 1 2 392.253 2.966 20 5 GFBDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501438163 564979745 /nfs/dbraw/zinc/97/97/45/564979745.db2.gz YLYVEITXTJIPEX-LBPRGKRZSA-N 1 2 392.253 2.966 20 5 GFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)cn1 ZINC000535785753 565021478 /nfs/dbraw/zinc/02/14/78/565021478.db2.gz RZGRINYHUSRJTP-UHFFFAOYSA-N 1 2 393.241 2.780 20 5 GFBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000598957800 565651811 /nfs/dbraw/zinc/65/18/11/565651811.db2.gz CTKSFNYKDAOJQE-UHFFFAOYSA-N 1 2 391.225 2.715 20 5 GFBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000822108344 607320997 /nfs/dbraw/zinc/32/09/97/607320997.db2.gz HXQNINMTBMDQLP-UHFFFAOYSA-N 1 2 390.363 2.521 20 5 GFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000738361049 598249553 /nfs/dbraw/zinc/24/95/53/598249553.db2.gz TXOFYEPOLSTFLI-UHFFFAOYSA-N 1 2 386.437 2.880 20 5 GFBDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000826341867 608564737 /nfs/dbraw/zinc/56/47/37/608564737.db2.gz RSHZMKSUHUAQLV-QWRGUYRKSA-N 1 2 399.411 2.663 20 5 GFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824770033 608864210 /nfs/dbraw/zinc/86/42/10/608864210.db2.gz CRSXADPZRUQLQY-ZDUSSCGKSA-N 1 2 397.414 2.797 20 5 GFBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000826902775 660471017 /nfs/dbraw/zinc/47/10/17/660471017.db2.gz LQYKGWFIMAARHS-GWCFXTLKSA-N 1 2 394.229 2.672 20 5 GFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000131892248 654921150 /nfs/dbraw/zinc/92/11/50/654921150.db2.gz QUJBDXXOJLPRHY-CQSZACIVSA-N 1 2 393.241 2.788 20 5 GFBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272464940 655113926 /nfs/dbraw/zinc/11/39/26/655113926.db2.gz MECBTMIQWBCMBU-LLVKDONJSA-N 1 2 384.845 2.848 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1Br ZINC000839594745 661094495 /nfs/dbraw/zinc/09/44/95/661094495.db2.gz XSXKRIZSRPWKGT-AWEZNQCLSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1Br ZINC000839594745 661094498 /nfs/dbraw/zinc/09/44/98/661094498.db2.gz XSXKRIZSRPWKGT-AWEZNQCLSA-N 1 2 398.301 2.902 20 5 GFBDLO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000176738802 655254499 /nfs/dbraw/zinc/25/44/99/655254499.db2.gz DRWPPCXPUSAIAH-UHFFFAOYSA-N 1 2 384.211 2.504 20 5 GFBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788805981 657786370 /nfs/dbraw/zinc/78/63/70/657786370.db2.gz MPSIDPULGZGEKI-PSLIRLAXSA-N 1 2 393.241 2.817 20 5 GFBDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000793265160 658378951 /nfs/dbraw/zinc/37/89/51/658378951.db2.gz GSFIQZFSXPTLDF-HNNXBMFYSA-N 1 2 378.226 2.982 20 5 GFBDLO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000866002319 662455711 /nfs/dbraw/zinc/45/57/11/662455711.db2.gz SZZCPCSGNJOPFN-LLVKDONJSA-N 1 2 381.230 2.549 20 5 GFBDLO Cc1ccc(N2CCC(N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1Br ZINC000866212035 662464642 /nfs/dbraw/zinc/46/46/42/662464642.db2.gz BWPMFKPZTAVKDU-UHFFFAOYSA-N 1 2 397.317 2.882 20 5 GFBDLO O=C1NCCC2(CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)O1 ZINC000932757816 664834821 /nfs/dbraw/zinc/83/48/21/664834821.db2.gz NZDMBCLESDTCDZ-UHFFFAOYSA-N 1 2 384.230 2.822 20 5 GFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164917134 721812550 /nfs/dbraw/zinc/81/25/50/721812550.db2.gz KUUPERGAGVFTQP-UHFFFAOYSA-N 1 2 376.848 2.589 20 5 GFBDLO Cc1ncc(C[NH+]2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)s1 ZINC000130584405 551366887 /nfs/dbraw/zinc/36/68/87/551366887.db2.gz USPTZULVWFMFDJ-UHFFFAOYSA-N 1 2 398.286 2.839 20 5 GFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)s1 ZINC000261605946 553153897 /nfs/dbraw/zinc/15/38/97/553153897.db2.gz BBNGYRDAGBVATO-LBPRGKRZSA-N 1 2 387.870 2.645 20 5 GFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000262174580 553167070 /nfs/dbraw/zinc/16/70/70/553167070.db2.gz AZHOSFREBXGUIO-INIZCTEOSA-N 1 2 381.841 2.583 20 5 GFBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374352384 563368758 /nfs/dbraw/zinc/36/87/58/563368758.db2.gz RHJHNCNPRVOFAP-OAHLLOKOSA-N 1 2 391.225 2.539 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462077 563423680 /nfs/dbraw/zinc/42/36/80/563423680.db2.gz VYMIYRTVPOTUSC-WFASDCNBSA-N 1 2 384.274 2.652 20 5 GFBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462077 563423684 /nfs/dbraw/zinc/42/36/84/563423684.db2.gz VYMIYRTVPOTUSC-WFASDCNBSA-N 1 2 384.274 2.652 20 5 GFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432989101 563599761 /nfs/dbraw/zinc/59/97/61/563599761.db2.gz NZWQETSDCRXNED-JTQLQIEISA-N 1 2 394.229 2.745 20 5 GFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000365202918 563777013 /nfs/dbraw/zinc/77/70/13/563777013.db2.gz QZBOYNXFJZAGJP-UHFFFAOYSA-N 1 2 399.270 2.924 20 5 GFBDLO Cc1ccc(C[NH2+]Cc2nn(C)cc2I)cc1[N+](=O)[O-] ZINC000449604406 564191967 /nfs/dbraw/zinc/19/19/67/564191967.db2.gz KJNGVXKFAQBJPJ-UHFFFAOYSA-N 1 2 386.193 2.531 20 5 GFBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891273 564247262 /nfs/dbraw/zinc/24/72/62/564247262.db2.gz IEBPLBZSARGZIE-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891273 564247266 /nfs/dbraw/zinc/24/72/66/564247266.db2.gz IEBPLBZSARGZIE-IUCAKERBSA-N 1 2 382.269 2.615 20 5 GFBDLO Cn1c2ccccc2[nH+]c1CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000477425255 564376982 /nfs/dbraw/zinc/37/69/82/564376982.db2.gz NLFVZKFFCLBPKX-UHFFFAOYSA-N 1 2 377.198 2.648 20 5 GFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000460983999 564787494 /nfs/dbraw/zinc/78/74/94/564787494.db2.gz VVGKVRIUTKBSDV-UHFFFAOYSA-N 1 2 389.209 2.864 20 5 GFBDLO CC[C@]1(O)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694576 564857239 /nfs/dbraw/zinc/85/72/39/564857239.db2.gz XGNVUPIMCAPLMA-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO CC[C@]1(O)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694576 564857242 /nfs/dbraw/zinc/85/72/42/564857242.db2.gz XGNVUPIMCAPLMA-ZDUSSCGKSA-N 1 2 376.194 2.546 20 5 GFBDLO O=C1CN(c2ccc(Nc3c(Cl)cc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000557588535 564868753 /nfs/dbraw/zinc/86/87/53/564868753.db2.gz MSIYEWYRAGKAQX-UHFFFAOYSA-N 1 2 382.207 2.976 20 5 GFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c[nH+]1 ZINC000534900645 564998623 /nfs/dbraw/zinc/99/86/23/564998623.db2.gz UBTCUMDBIKHJJM-UHFFFAOYSA-N 1 2 386.227 2.592 20 5 GFBDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590588174 565192584 /nfs/dbraw/zinc/19/25/84/565192584.db2.gz FQVFIXYFERFYLD-CQSZACIVSA-N 1 2 387.458 2.685 20 5 GFBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nccn1C ZINC000595000563 565440789 /nfs/dbraw/zinc/44/07/89/565440789.db2.gz LPWGQNZDNRFRJG-VIFPVBQESA-N 1 2 386.193 2.784 20 5 GFBDLO C[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598000091 565588108 /nfs/dbraw/zinc/58/81/08/565588108.db2.gz XNSKQWDYPPQQJL-VXGBXAGGSA-N 1 2 387.889 2.566 20 5 GFBDLO C[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598000091 565588110 /nfs/dbraw/zinc/58/81/10/565588110.db2.gz XNSKQWDYPPQQJL-VXGBXAGGSA-N 1 2 387.889 2.566 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000602678045 565862796 /nfs/dbraw/zinc/86/27/96/565862796.db2.gz ARAARZLYJMGEKJ-GIPNMCIBSA-N 1 2 391.287 2.781 20 5 GFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000602678045 565862799 /nfs/dbraw/zinc/86/27/99/565862799.db2.gz ARAARZLYJMGEKJ-GIPNMCIBSA-N 1 2 391.287 2.781 20 5 GFBDLO Cc1c(Br)cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000611076060 566112248 /nfs/dbraw/zinc/11/22/48/566112248.db2.gz FSGPDQYRSLAWLN-UHFFFAOYSA-N 1 2 392.209 2.964 20 5 GFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(F)c1 ZINC000823634905 606160887 /nfs/dbraw/zinc/16/08/87/606160887.db2.gz NVFOAODEFJXYJI-UHFFFAOYSA-N 1 2 398.398 2.957 20 5 GFBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625413 608489781 /nfs/dbraw/zinc/48/97/81/608489781.db2.gz HLGSOCVEWZDKPM-LLVKDONJSA-N 1 2 392.379 2.676 20 5 GFBDLO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000129086125 654856229 /nfs/dbraw/zinc/85/62/29/654856229.db2.gz AVWDVXQUFUFCTA-CYBMUJFWSA-N 1 2 387.458 2.914 20 5 GFBDLO O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1Cl ZINC000727114205 655542253 /nfs/dbraw/zinc/54/22/53/655542253.db2.gz VARILPPFJUNLEH-UHFFFAOYSA-N 1 2 379.785 2.630 20 5 GFBDLO CO[C@H]1C[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@@H]1C ZINC000795453536 658821229 /nfs/dbraw/zinc/82/12/29/658821229.db2.gz RGNPMFGAUAWNGS-BONVTDFDSA-N 1 2 398.257 2.627 20 5 GFBDLO CO[C@H]1C[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC[C@@H]1C ZINC000795453536 658821235 /nfs/dbraw/zinc/82/12/35/658821235.db2.gz RGNPMFGAUAWNGS-BONVTDFDSA-N 1 2 398.257 2.627 20 5 GFBDLO C[NH+]1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])cc2Br)CC1 ZINC000808045335 659874140 /nfs/dbraw/zinc/87/41/40/659874140.db2.gz IEGOWFROKFKEJN-UHFFFAOYSA-N 1 2 392.257 2.670 20 5 GFBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829626 659945643 /nfs/dbraw/zinc/94/56/43/659945643.db2.gz JSEBSSFCCBOAQF-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829626 659945647 /nfs/dbraw/zinc/94/56/47/659945647.db2.gz JSEBSSFCCBOAQF-RKDXNWHRSA-N 1 2 382.269 2.615 20 5 GFBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(C)(C)C1 ZINC000809830677 659946311 /nfs/dbraw/zinc/94/63/11/659946311.db2.gz ZEUNEKUQIBDKJL-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(C)(C)C1 ZINC000809830677 659946313 /nfs/dbraw/zinc/94/63/13/659946313.db2.gz ZEUNEKUQIBDKJL-UHFFFAOYSA-N 1 2 382.269 2.616 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000809840617 659947808 /nfs/dbraw/zinc/94/78/08/659947808.db2.gz XNMZLQMKOPRJQB-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000809840617 659947812 /nfs/dbraw/zinc/94/78/12/659947812.db2.gz XNMZLQMKOPRJQB-LLVKDONJSA-N 1 2 391.852 2.683 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000815069560 660109233 /nfs/dbraw/zinc/10/92/33/660109233.db2.gz IARXFXRFYQZGKI-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000815069560 660109234 /nfs/dbraw/zinc/10/92/34/660109234.db2.gz IARXFXRFYQZGKI-LBPRGKRZSA-N 1 2 378.230 2.834 20 5 GFBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412170 661718558 /nfs/dbraw/zinc/71/85/58/661718558.db2.gz HFUQTMYGSCZMDY-VIFPVBQESA-N 1 2 379.841 2.538 20 5 GFBDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412170 661718562 /nfs/dbraw/zinc/71/85/62/661718562.db2.gz HFUQTMYGSCZMDY-VIFPVBQESA-N 1 2 379.841 2.538 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3Br)C2)nc1 ZINC000878251198 662892507 /nfs/dbraw/zinc/89/25/07/662892507.db2.gz HUXUPLRHTWSKQY-LLVKDONJSA-N 1 2 378.230 2.834 20 5 GFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3Br)C2)nc1 ZINC000878251198 662892509 /nfs/dbraw/zinc/89/25/09/662892509.db2.gz HUXUPLRHTWSKQY-LLVKDONJSA-N 1 2 378.230 2.834 20 5 GFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000056142871 551177350 /nfs/dbraw/zinc/17/73/50/551177350.db2.gz KFEANKQKIASJIE-UHFFFAOYSA-N 1 2 380.813 2.683 20 5 GFBDLO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151279255 551410380 /nfs/dbraw/zinc/41/03/80/551410380.db2.gz ORVURFMOPYPZNJ-FZMZJTMJSA-N 1 2 384.845 2.717 20 5 GFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177304927 552152738 /nfs/dbraw/zinc/15/27/38/552152738.db2.gz TXOPAYQBEVDUCL-UHFFFAOYSA-N 1 2 379.214 2.984 20 5 GFBDLO Cc1c(Cl)cc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000182414509 552282995 /nfs/dbraw/zinc/28/29/95/552282995.db2.gz IXDFEOPRTGGAAG-UHFFFAOYSA-N 1 2 386.861 2.888 20 5 GFBDLO Cc1cc(Br)c2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000189232815 552466624 /nfs/dbraw/zinc/46/66/24/552466624.db2.gz JNOVYNDXILNVIN-UHFFFAOYSA-N 1 2 392.253 2.886 20 5 GFBDLO Cc1cc(Br)c2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000189232815 552466627 /nfs/dbraw/zinc/46/66/27/552466627.db2.gz JNOVYNDXILNVIN-UHFFFAOYSA-N 1 2 392.253 2.886 20 5 GFBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000295430642 563247586 /nfs/dbraw/zinc/24/75/86/563247586.db2.gz XRKUPVKLGYXTNB-CYBMUJFWSA-N 1 2 384.845 2.754 20 5 GFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000281209983 563369607 /nfs/dbraw/zinc/36/96/07/563369607.db2.gz QEKHIVWFFGMFMF-UHFFFAOYSA-N 1 2 388.808 2.610 20 5 GFBDLO CN(C)c1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000431163776 563555266 /nfs/dbraw/zinc/55/52/66/563555266.db2.gz PTTGGQMREWKHHD-UHFFFAOYSA-N 1 2 379.214 2.748 20 5 GFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286755952 563573667 /nfs/dbraw/zinc/57/36/67/563573667.db2.gz HEYDMPLWOANHDT-SNVBAGLBSA-N 1 2 376.467 2.939 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414569843 563747172 /nfs/dbraw/zinc/74/71/72/563747172.db2.gz PXMIVTWVZWKFTF-NSHDSACASA-N 1 2 376.381 2.534 20 5 GFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414569843 563747173 /nfs/dbraw/zinc/74/71/73/563747173.db2.gz PXMIVTWVZWKFTF-NSHDSACASA-N 1 2 376.381 2.534 20 5 GFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000366327234 563805315 /nfs/dbraw/zinc/80/53/15/563805315.db2.gz YIZSOXRYWCPLSP-ZETCQYMHSA-N 1 2 383.177 2.507 20 5 GFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000366327234 563805318 /nfs/dbraw/zinc/80/53/18/563805318.db2.gz YIZSOXRYWCPLSP-ZETCQYMHSA-N 1 2 383.177 2.507 20 5 GFBDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935135 563891264 /nfs/dbraw/zinc/89/12/64/563891264.db2.gz DPQZVNBHHYUHIS-CYBMUJFWSA-N 1 2 375.878 2.647 20 5 GFBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935135 563891266 /nfs/dbraw/zinc/89/12/66/563891266.db2.gz DPQZVNBHHYUHIS-CYBMUJFWSA-N 1 2 375.878 2.647 20 5 GFBDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000471077717 564184582 /nfs/dbraw/zinc/18/45/82/564184582.db2.gz GPQBYCISQPVUPR-HNNXBMFYSA-N 1 2 386.246 2.533 20 5 GFBDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000471077717 564184587 /nfs/dbraw/zinc/18/45/87/564184587.db2.gz GPQBYCISQPVUPR-HNNXBMFYSA-N 1 2 386.246 2.533 20 5 GFBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511297406 564366461 /nfs/dbraw/zinc/36/64/61/564366461.db2.gz VDZOAAKNNIXUNS-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511297406 564366463 /nfs/dbraw/zinc/36/64/63/564366463.db2.gz VDZOAAKNNIXUNS-VIFPVBQESA-N 1 2 382.269 2.616 20 5 GFBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000567958474 564397661 /nfs/dbraw/zinc/39/76/61/564397661.db2.gz MQZYVVSAPKMEGJ-DTORHVGOSA-N 1 2 376.276 2.974 20 5 GFBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000567958474 564397667 /nfs/dbraw/zinc/39/76/67/564397667.db2.gz MQZYVVSAPKMEGJ-DTORHVGOSA-N 1 2 376.276 2.974 20 5 GFBDLO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000483224538 564560618 /nfs/dbraw/zinc/56/06/18/564560618.db2.gz GGACYKXGJRBYPV-ZDUSSCGKSA-N 1 2 384.219 2.824 20 5 GFBDLO O=C(C[N@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302537 564632286 /nfs/dbraw/zinc/63/22/86/564632286.db2.gz ADFXVIDTXOCRSR-CQSZACIVSA-N 1 2 398.257 2.675 20 5 GFBDLO O=C(C[N@@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302537 564632288 /nfs/dbraw/zinc/63/22/88/564632288.db2.gz ADFXVIDTXOCRSR-CQSZACIVSA-N 1 2 398.257 2.675 20 5 GFBDLO CCN(CC[NH+]1CCCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000581961392 564824542 /nfs/dbraw/zinc/82/45/42/564824542.db2.gz WYPGUHPVIPWKTD-UHFFFAOYSA-N 1 2 375.516 2.762 20 5 GFBDLO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957720 565438971 /nfs/dbraw/zinc/43/89/71/565438971.db2.gz ULFCNGGMAWERMJ-UFBFGSQYSA-N 1 2 399.192 2.587 20 5 GFBDLO CC(=O)NCC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602449763 565848486 /nfs/dbraw/zinc/84/84/86/565848486.db2.gz RXGQPEOFQAMXBV-UHFFFAOYSA-N 1 2 376.276 2.767 20 5 GFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663213 565860513 /nfs/dbraw/zinc/86/05/13/565860513.db2.gz QUZYYEYJYMLBNY-MNOVXSKESA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663213 565860517 /nfs/dbraw/zinc/86/05/17/565860517.db2.gz QUZYYEYJYMLBNY-MNOVXSKESA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663213 565860520 /nfs/dbraw/zinc/86/05/20/565860520.db2.gz QUZYYEYJYMLBNY-MNOVXSKESA-N 1 2 390.303 2.714 20 5 GFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000602803030 565868763 /nfs/dbraw/zinc/86/87/63/565868763.db2.gz VEIJHZHDZQYXTM-SECBINFHSA-N 1 2 397.229 2.713 20 5 GFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000738358187 598765685 /nfs/dbraw/zinc/76/56/85/598765685.db2.gz ANKAMCKZOJGFQR-UHFFFAOYSA-N 1 2 386.437 2.880 20 5 GFBDLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236223 608068983 /nfs/dbraw/zinc/06/89/83/608068983.db2.gz CTVITVRXCKWHBO-GOSISDBHSA-N 1 2 380.408 2.657 20 5 GFBDLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236223 608068984 /nfs/dbraw/zinc/06/89/84/608068984.db2.gz CTVITVRXCKWHBO-GOSISDBHSA-N 1 2 380.408 2.657 20 5 GFBDLO CC[C@@H]1C[N@H+](CC)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829127079 660582748 /nfs/dbraw/zinc/58/27/48/660582748.db2.gz UKITXZYLJZNWHV-LLVKDONJSA-N 1 2 377.413 2.512 20 5 GFBDLO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829127079 660582752 /nfs/dbraw/zinc/58/27/52/660582752.db2.gz UKITXZYLJZNWHV-LLVKDONJSA-N 1 2 377.413 2.512 20 5 GFBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000832415682 660778505 /nfs/dbraw/zinc/77/85/05/660778505.db2.gz UBROHPCAPOPFFX-LBPRGKRZSA-N 1 2 375.878 2.661 20 5 GFBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000832415682 660778509 /nfs/dbraw/zinc/77/85/09/660778509.db2.gz UBROHPCAPOPFFX-LBPRGKRZSA-N 1 2 375.878 2.661 20 5 GFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268085095 654958507 /nfs/dbraw/zinc/95/85/07/654958507.db2.gz WZJJPASBJBROFJ-LLVKDONJSA-N 1 2 384.845 2.848 20 5 GFBDLO Cc1nn(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(C)c1[N+](=O)[O-] ZINC000731661985 655585234 /nfs/dbraw/zinc/58/52/34/655585234.db2.gz GWEAEXQXGDDEKI-UHFFFAOYSA-N 1 2 383.250 2.662 20 5 GFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC=C(Br)C1 ZINC000799327695 659181991 /nfs/dbraw/zinc/18/19/91/659181991.db2.gz XXBYVIDCQAGEPO-UHFFFAOYSA-N 1 2 382.214 2.877 20 5 GFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC=C(Br)C1 ZINC000799327695 659181994 /nfs/dbraw/zinc/18/19/94/659181994.db2.gz XXBYVIDCQAGEPO-UHFFFAOYSA-N 1 2 382.214 2.877 20 5 GFBDLO Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804809270 659685425 /nfs/dbraw/zinc/68/54/25/659685425.db2.gz VIYKJRPCTZFFPN-QWHCGFSZSA-N 1 2 384.274 2.965 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl ZINC000808770314 659904995 /nfs/dbraw/zinc/90/49/95/659904995.db2.gz ONNIAEQRANSAHC-ZDUSSCGKSA-N 1 2 387.889 2.542 20 5 GFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl ZINC000808770314 659905001 /nfs/dbraw/zinc/90/50/01/659905001.db2.gz ONNIAEQRANSAHC-ZDUSSCGKSA-N 1 2 387.889 2.542 20 5 GFBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000809810670 659940655 /nfs/dbraw/zinc/94/06/55/659940655.db2.gz IETIXAHGAXEJON-SNVBAGLBSA-N 1 2 379.841 2.540 20 5 GFBDLO