smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CN2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769092 721123858 /nfs/dbraw/zinc/12/38/58/721123858.db2.gz PMNGVOHTODHWKW-IRXDYDNUSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1c(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971381 722124355 /nfs/dbraw/zinc/12/43/55/722124355.db2.gz BSDFNUYILYJDFA-UYAOXDASSA-N 0 3 397.479 2.729 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688260 551322931 /nfs/dbraw/zinc/32/29/31/551322931.db2.gz MPOWZXYKCLQBCT-CYBMUJFWSA-N 0 3 375.516 2.611 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688260 551322933 /nfs/dbraw/zinc/32/29/33/551322933.db2.gz MPOWZXYKCLQBCT-CYBMUJFWSA-N 0 3 375.516 2.611 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCN(CC2CC2)C1 ZINC000153143665 551447293 /nfs/dbraw/zinc/44/72/93/551447293.db2.gz IWZLFSKTVMEQCD-ZDUSSCGKSA-N 0 3 382.258 2.500 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085869 551623899 /nfs/dbraw/zinc/62/38/99/551623899.db2.gz FGXBNTFMBSMNRF-RISCZKNCSA-N 0 3 382.258 2.914 20 5 GFBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1Br ZINC000182064063 552274382 /nfs/dbraw/zinc/27/43/82/552274382.db2.gz ADWWLYNMHBSTAQ-NSHDSACASA-N 0 3 396.241 2.878 20 5 GFBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000182278573 552280424 /nfs/dbraw/zinc/28/04/24/552280424.db2.gz PAOUFQLCPFWDGC-GXTWGEPZSA-N 0 3 386.246 2.843 20 5 GFBDHN CC(C)CS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184111576 552327384 /nfs/dbraw/zinc/32/73/84/552327384.db2.gz WWWHENCTORPOEA-UHFFFAOYSA-N 0 3 389.905 2.788 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000246185117 553104073 /nfs/dbraw/zinc/10/40/73/553104073.db2.gz COBJBFIJPIUEHK-JSGCOSHPSA-N 0 3 382.258 2.914 20 5 GFBDHN CCC[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761261 564247749 /nfs/dbraw/zinc/24/77/49/564247749.db2.gz VIMREGXVWXZIFH-CYBMUJFWSA-N 0 3 378.210 2.840 20 5 GFBDHN Cc1cnc(CCNCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000453593156 564458820 /nfs/dbraw/zinc/45/88/20/564458820.db2.gz GIYMJNITDMARCK-UHFFFAOYSA-N 0 3 398.204 2.630 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000408001173 563541327 /nfs/dbraw/zinc/54/13/27/563541327.db2.gz AVIAMLCLYAENOC-JQWIXIFHSA-N 0 3 382.258 2.974 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000450266601 564224900 /nfs/dbraw/zinc/22/49/00/564224900.db2.gz RVNPGKIPCFVWAH-OLZOCXBDSA-N 0 3 377.388 2.731 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504410 564236584 /nfs/dbraw/zinc/23/65/84/564236584.db2.gz KCVIYXAEOFMVMF-VXGBXAGGSA-N 0 3 375.878 2.742 20 5 GFBDHN CS[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000543311628 564345472 /nfs/dbraw/zinc/34/54/72/564345472.db2.gz PAVLGBOBHHZVPP-JSGCOSHPSA-N 0 3 389.930 2.844 20 5 GFBDHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177953 564395125 /nfs/dbraw/zinc/39/51/25/564395125.db2.gz HLGOOTJDYHHRCH-ZWNOBZJWSA-N 0 3 378.479 2.998 20 5 GFBDHN C/C=C\C[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615089 564427157 /nfs/dbraw/zinc/42/71/57/564427157.db2.gz YGVFOINHMPRPKN-DLGQBQFBSA-N 0 3 376.194 2.616 20 5 GFBDHN C[C@H](N(C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038937 564488425 /nfs/dbraw/zinc/48/84/25/564488425.db2.gz JEQIHUBNDZZRJZ-VIFPVBQESA-N 0 3 378.210 2.791 20 5 GFBDHN Cn1ncc(Br)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570479313 564507420 /nfs/dbraw/zinc/50/74/20/564507420.db2.gz FRHBMGXXBPHFEL-UHFFFAOYSA-N 0 3 378.230 2.904 20 5 GFBDHN COc1ccc(OCCN(C)CCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000572039813 564579098 /nfs/dbraw/zinc/57/90/98/564579098.db2.gz IYMSFIFBJWNJPD-UHFFFAOYSA-N 0 3 399.245 2.573 20 5 GFBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638130 564684158 /nfs/dbraw/zinc/68/41/58/564684158.db2.gz HYBNDTFEPWQYPH-NSHDSACASA-N 0 3 389.237 2.977 20 5 GFBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000577303239 564733855 /nfs/dbraw/zinc/73/38/55/564733855.db2.gz LLJICJQOAYLBJT-WKPIXPDZSA-N 0 3 386.905 2.553 20 5 GFBDHN C[C@@H]1[C@H](C)N(Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000554934871 564778059 /nfs/dbraw/zinc/77/80/59/564778059.db2.gz KVCQRMUKOYMJAO-MNOVXSKESA-N 0 3 389.237 2.724 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCC[C@H](O)C2)c1 ZINC000583841925 564910082 /nfs/dbraw/zinc/91/00/82/564910082.db2.gz SFTSFHWMKHKDHQ-HZMBPMFUSA-N 0 3 390.221 2.840 20 5 GFBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578940 565349934 /nfs/dbraw/zinc/34/99/34/565349934.db2.gz VLJLMRWNOBFOSW-CYBMUJFWSA-N 0 3 384.274 2.843 20 5 GFBDHN CN1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000619586972 565350827 /nfs/dbraw/zinc/35/08/27/565350827.db2.gz MNPNUKZMYOWETD-LBPRGKRZSA-N 0 3 383.290 2.938 20 5 GFBDHN Cc1ccc(CNCCNC(=O)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000594956644 565436818 /nfs/dbraw/zinc/43/68/18/565436818.db2.gz LZWFTUQQXAQOHR-UHFFFAOYSA-N 0 3 393.241 2.580 20 5 GFBDHN CN1CCC[C@@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974774 565709071 /nfs/dbraw/zinc/70/90/71/565709071.db2.gz FULHRNQVFOYYHT-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN CC[C@H](Cc1cccs1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336018 566126592 /nfs/dbraw/zinc/12/65/92/566126592.db2.gz OTAIPKKSSSWCBP-CYBMUJFWSA-N 0 3 383.495 2.546 20 5 GFBDHN Cc1cccc(CN(CC[NH+](C)C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822304205 607114773 /nfs/dbraw/zinc/11/47/73/607114773.db2.gz SFBZCZFZEMFSNW-UHFFFAOYSA-N 0 3 381.440 2.652 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826500119 608280791 /nfs/dbraw/zinc/28/07/91/608280791.db2.gz LXAUTAOUKVWXKD-SFHVURJKSA-N 0 3 394.435 2.765 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826500119 608280793 /nfs/dbraw/zinc/28/07/93/608280793.db2.gz LXAUTAOUKVWXKD-SFHVURJKSA-N 0 3 394.435 2.765 20 5 GFBDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202126 608287006 /nfs/dbraw/zinc/28/70/06/608287006.db2.gz PAQIPVSPWFQVKI-ZDUSSCGKSA-N 0 3 382.424 2.894 20 5 GFBDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202126 608287007 /nfs/dbraw/zinc/28/70/07/608287007.db2.gz PAQIPVSPWFQVKI-ZDUSSCGKSA-N 0 3 382.424 2.894 20 5 GFBDHN COc1ccc(OCC[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826211595 608485154 /nfs/dbraw/zinc/48/51/54/608485154.db2.gz MCKSRWQPIIUQAN-GFCCVEGCSA-N 0 3 384.396 2.513 20 5 GFBDHN COc1ccc(OCC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826211595 608485155 /nfs/dbraw/zinc/48/51/55/608485155.db2.gz MCKSRWQPIIUQAN-GFCCVEGCSA-N 0 3 384.396 2.513 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCCO)o2)c(Br)c1 ZINC000067697470 654943089 /nfs/dbraw/zinc/94/30/89/654943089.db2.gz WSBFHIIIQVRAMR-UHFFFAOYSA-N 0 3 385.214 2.716 20 5 GFBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CCN(C)CC1 ZINC000273045363 655128543 /nfs/dbraw/zinc/12/85/43/655128543.db2.gz WSGUEPUUQNLAEU-SECBINFHSA-N 0 3 386.221 2.877 20 5 GFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1 ZINC000273566653 655148380 /nfs/dbraw/zinc/14/83/80/655148380.db2.gz YLXIRDCTERWGEZ-HZPDHXFCSA-N 0 3 381.523 2.969 20 5 GFBDHN O=[N+]([O-])c1cccc(CN2CCN(C3CCOCC3)CC2)c1Br ZINC000839505268 661088437 /nfs/dbraw/zinc/08/84/37/661088437.db2.gz PLRVHPIIPKLJLO-UHFFFAOYSA-N 0 3 384.274 2.654 20 5 GFBDHN CN(CCCCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289443533 655349405 /nfs/dbraw/zinc/34/94/05/655349405.db2.gz UBWUXCNZSQKPSB-UHFFFAOYSA-N 0 3 378.210 2.794 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224599 655429512 /nfs/dbraw/zinc/42/95/12/655429512.db2.gz HDRVBFUKZFIOTJ-GXTWGEPZSA-N 0 3 389.905 2.907 20 5 GFBDHN CCN(CCC(=O)OC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027257 655456265 /nfs/dbraw/zinc/45/62/65/655456265.db2.gz HJLNAGDPZGWZOH-UHFFFAOYSA-N 0 3 392.193 2.584 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795911096 658870871 /nfs/dbraw/zinc/87/08/71/658870871.db2.gz BBVPEONIBRQMCT-SNVBAGLBSA-N 0 3 393.868 2.738 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000798226290 659085130 /nfs/dbraw/zinc/08/51/30/659085130.db2.gz GRSJKVSSRIOVTN-UHFFFAOYSA-N 0 3 393.868 2.882 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000805112896 659741917 /nfs/dbraw/zinc/74/19/17/659741917.db2.gz FIDRGKADEZDKOZ-OCCSQVGLSA-N 0 3 387.889 2.804 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820036 659942653 /nfs/dbraw/zinc/94/26/53/659942653.db2.gz LESHDNDHRMZOCH-WDEREUQCSA-N 0 3 393.868 2.881 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000815065452 660108802 /nfs/dbraw/zinc/10/88/02/660108802.db2.gz DHEBLXPLYGPKCJ-INIZCTEOSA-N 0 3 387.889 2.663 20 5 GFBDHN Cn1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Br)n1 ZINC000858165007 662102672 /nfs/dbraw/zinc/10/26/72/662102672.db2.gz LIWAETFGSZKHKT-UHFFFAOYSA-N 0 3 378.230 2.904 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955248 663079561 /nfs/dbraw/zinc/07/95/61/663079561.db2.gz RNYNXVAMEXXDJH-ZJUUUORDSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955248 663079562 /nfs/dbraw/zinc/07/95/62/663079562.db2.gz RNYNXVAMEXXDJH-ZJUUUORDSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@@H](O)CC1(CO)CCCC1 ZINC000905428414 663871155 /nfs/dbraw/zinc/87/11/55/663871155.db2.gz RDJVPATYEXPZDF-AWEZNQCLSA-N 0 3 387.274 2.751 20 5 GFBDHN CN(C)CC1(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 ZINC000923931610 664640284 /nfs/dbraw/zinc/64/02/84/664640284.db2.gz PZBGFNBSMTUYQH-UHFFFAOYSA-N 0 3 381.230 2.924 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761881 721241986 /nfs/dbraw/zinc/24/19/86/721241986.db2.gz JRUBCWSMFKXZFJ-ZWKOTPCHSA-N 0 3 392.463 2.835 20 5 GFBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000153026634 551444680 /nfs/dbraw/zinc/44/46/80/551444680.db2.gz GKDMHNJKGVHXCU-YPMHNXCESA-N 0 3 384.274 2.841 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@]3(O)CCOC3)o2)c(Br)c1 ZINC000179025774 552182146 /nfs/dbraw/zinc/18/21/46/552182146.db2.gz SBCDQKROWNQNGU-MRXNPFEDSA-N 0 3 397.225 2.858 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000246930654 553115510 /nfs/dbraw/zinc/11/55/10/553115510.db2.gz HBZAUZNCFMGFML-GXTWGEPZSA-N 0 3 387.889 2.661 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375029000 563388113 /nfs/dbraw/zinc/38/81/13/563388113.db2.gz AFKAJENXJSBGSC-ABAIWWIYSA-N 0 3 382.258 2.832 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535546 563408894 /nfs/dbraw/zinc/40/88/94/563408894.db2.gz AGNMYJIEFVZJNU-QMTHXVAHSA-N 0 3 383.246 2.915 20 5 GFBDHN C[C@H]1CCC[C@@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301935143 563416113 /nfs/dbraw/zinc/41/61/13/563416113.db2.gz PBBJJRLJEVVNLX-XHDPSFHLSA-N 0 3 375.516 2.982 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000425466084 563423540 /nfs/dbraw/zinc/42/35/40/563423540.db2.gz AXECEFZFEMJHCK-CVEARBPZSA-N 0 3 385.258 2.767 20 5 GFBDHN CCN1CCN(CC(C)(C)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425489740 563424412 /nfs/dbraw/zinc/42/44/12/563424412.db2.gz KQBFGYQRQHLIND-UHFFFAOYSA-N 0 3 399.333 2.863 20 5 GFBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330415661 563504846 /nfs/dbraw/zinc/50/48/46/563504846.db2.gz NPBIRVSMGKIMOS-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000331581256 563553760 /nfs/dbraw/zinc/55/37/60/563553760.db2.gz WPYTZOQNSXGLJK-PSLIRLAXSA-N 0 3 382.258 2.878 20 5 GFBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000443991566 563817926 /nfs/dbraw/zinc/81/79/26/563817926.db2.gz VUKIGCYKNGRKLM-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CCc1ccc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000539074942 564208925 /nfs/dbraw/zinc/20/89/25/564208925.db2.gz KZDXRVVSSXFVLP-LBPRGKRZSA-N 0 3 383.495 2.848 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504405 564236913 /nfs/dbraw/zinc/23/69/13/564236913.db2.gz KCVIYXAEOFMVMF-NEPJUHHUSA-N 0 3 375.878 2.742 20 5 GFBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749206 564760073 /nfs/dbraw/zinc/76/00/73/564760073.db2.gz GZKOGXRYNIBHAA-KBPBESRZSA-N 0 3 398.257 2.843 20 5 GFBDHN C[C@@H](CCc1ccsc1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000462792328 564858757 /nfs/dbraw/zinc/85/87/57/564858757.db2.gz UTVVDEOMMAHSAX-ZDUSSCGKSA-N 0 3 383.495 2.546 20 5 GFBDHN CCOC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000503444604 565019241 /nfs/dbraw/zinc/01/92/41/565019241.db2.gz ZDDJQSNEZUOHSX-AWEZNQCLSA-N 0 3 388.262 2.947 20 5 GFBDHN CC(C)N1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678269 565053188 /nfs/dbraw/zinc/05/31/88/565053188.db2.gz NGPXSVATFXUFDI-CYBMUJFWSA-N 0 3 384.274 2.889 20 5 GFBDHN CS[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000537925162 565064559 /nfs/dbraw/zinc/06/45/59/565064559.db2.gz MKCHNQRMBZPVMO-HIFRSBDPSA-N 0 3 387.889 2.521 20 5 GFBDHN CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C)C1 ZINC000592828125 565299210 /nfs/dbraw/zinc/29/92/10/565299210.db2.gz CTSCEZQOACKMGC-AWEZNQCLSA-N 0 3 384.274 2.843 20 5 GFBDHN CCCN1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992111 565439476 /nfs/dbraw/zinc/43/94/76/565439476.db2.gz PAGIBVZPNGAUKX-CYBMUJFWSA-N 0 3 389.237 2.773 20 5 GFBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422761 565782516 /nfs/dbraw/zinc/78/25/16/565782516.db2.gz YGLOOQWZIUTDQJ-LDYMZIIASA-N 0 3 382.269 2.615 20 5 GFBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610668438 566092254 /nfs/dbraw/zinc/09/22/54/566092254.db2.gz FGXGDVPTZVINJA-ZDUSSCGKSA-N 0 3 384.274 2.890 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738360322 598944800 /nfs/dbraw/zinc/94/48/00/598944800.db2.gz VPHMMAQGSBKNFW-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738360322 598944802 /nfs/dbraw/zinc/94/48/02/598944802.db2.gz VPHMMAQGSBKNFW-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258249 /nfs/dbraw/zinc/25/82/49/599258249.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258251 /nfs/dbraw/zinc/25/82/51/599258251.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258253 /nfs/dbraw/zinc/25/82/53/599258253.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258255 /nfs/dbraw/zinc/25/82/55/599258255.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554748 /nfs/dbraw/zinc/55/47/48/599554748.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554749 /nfs/dbraw/zinc/55/47/49/599554749.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554752 /nfs/dbraw/zinc/55/47/52/599554752.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554757 /nfs/dbraw/zinc/55/47/57/599554757.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824779100 607679705 /nfs/dbraw/zinc/67/97/05/607679705.db2.gz SJZKLNNOTMXSOU-ZDUSSCGKSA-N 0 3 394.439 2.807 20 5 GFBDHN CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825631945 608281663 /nfs/dbraw/zinc/28/16/63/608281663.db2.gz JLEITTLPTIHNCC-ZDUSSCGKSA-N 0 3 398.423 2.903 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000066096043 654894574 /nfs/dbraw/zinc/89/45/74/654894574.db2.gz JSKPIEQPKJYDTB-UHFFFAOYSA-N 0 3 375.878 2.742 20 5 GFBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1Br ZINC000093817527 655021373 /nfs/dbraw/zinc/02/13/73/655021373.db2.gz GPOXUKKCCNMWLU-AWEZNQCLSA-N 0 3 384.274 2.511 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670599 655175988 /nfs/dbraw/zinc/17/59/88/655175988.db2.gz IYZPDMLSRHGOLL-ZDUSSCGKSA-N 0 3 375.878 2.743 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820034 659942639 /nfs/dbraw/zinc/94/26/39/659942639.db2.gz LESHDNDHRMZOCH-MNOVXSKESA-N 0 3 393.868 2.881 20 5 GFBDHN CC(COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813108054 660043846 /nfs/dbraw/zinc/04/38/46/660043846.db2.gz UOMWFAMFKRMOFT-YGRLFVJLSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)CCCOc1ccc(I)cc1)[N+](=O)[O-] ZINC000813112276 660044275 /nfs/dbraw/zinc/04/42/75/660044275.db2.gz OWLHROGKVAMTNB-SNVBAGLBSA-N 0 3 393.177 2.659 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)Cc2ccoc2)cc1Br ZINC000895586399 663519940 /nfs/dbraw/zinc/51/99/40/663519940.db2.gz VONSQOGUWYDIGL-SNVBAGLBSA-N 0 3 375.244 2.953 20 5 GFBDHN COc1cc([C@@H](C)NCCn2cc(Br)ccc2=O)cc([N+](=O)[O-])c1 ZINC000903177386 663777249 /nfs/dbraw/zinc/77/72/49/663777249.db2.gz METYIMNZEOUITI-LLVKDONJSA-N 0 3 396.241 2.878 20 5 GFBDHN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924059868 664645832 /nfs/dbraw/zinc/64/58/32/664645832.db2.gz WEFYBFFTJXXMLS-LBPRGKRZSA-N 0 3 397.225 2.802 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000007728855 551101492 /nfs/dbraw/zinc/10/14/92/551101492.db2.gz FMOAWPPENOAYKZ-UHFFFAOYSA-N 0 3 389.905 2.957 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000183712918 552317715 /nfs/dbraw/zinc/31/77/15/552317715.db2.gz SIBCZVMEQJVUBS-CYBMUJFWSA-N 0 3 387.889 2.663 20 5 GFBDHN CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000193972083 553008249 /nfs/dbraw/zinc/00/82/49/553008249.db2.gz NZMLULNYIWYEFV-UHFFFAOYSA-N 0 3 375.878 2.789 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375029001 563388263 /nfs/dbraw/zinc/38/82/63/563388263.db2.gz AFKAJENXJSBGSC-IAQYHMDHSA-N 0 3 382.258 2.832 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425061524 563402562 /nfs/dbraw/zinc/40/25/62/563402562.db2.gz ZGGDHCNWTIVCLB-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301909115 563415315 /nfs/dbraw/zinc/41/53/15/563415315.db2.gz FJRBZTVTVGLCCS-ZDUSSCGKSA-N 0 3 399.289 2.834 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923773 563527465 /nfs/dbraw/zinc/52/74/65/563527465.db2.gz SQESCCBONZIEOF-GFCCVEGCSA-N 0 3 375.878 2.743 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2nccs2)c1 ZINC000289687793 563683548 /nfs/dbraw/zinc/68/35/48/563683548.db2.gz BCQNPTPJZAJDGG-UHFFFAOYSA-N 0 3 389.218 2.988 20 5 GFBDHN Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472410 564334999 /nfs/dbraw/zinc/33/49/99/564334999.db2.gz FXBRKLRHRHALMW-ZDUSSCGKSA-N 0 3 382.258 2.974 20 5 GFBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CCN(C)CC1 ZINC000510742410 564345496 /nfs/dbraw/zinc/34/54/96/564345496.db2.gz BHTBCBXCHFOTDA-LLVKDONJSA-N 0 3 382.258 2.666 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000568817197 564436412 /nfs/dbraw/zinc/43/64/12/564436412.db2.gz DHVDFFCFCHZAKA-GFCCVEGCSA-N 0 3 398.204 2.570 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC2(CO)CCCC2)c1 ZINC000570129930 564492615 /nfs/dbraw/zinc/49/26/15/564492615.db2.gz GOUFLDLTHJAZET-UHFFFAOYSA-N 0 3 376.194 2.594 20 5 GFBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000485104329 564606516 /nfs/dbraw/zinc/60/65/16/564606516.db2.gz NAXRSFFXCZGDDQ-UHFFFAOYSA-N 0 3 399.289 2.712 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000580582547 564766100 /nfs/dbraw/zinc/76/61/00/564766100.db2.gz QJJBNTSZCTURMY-QWHCGFSZSA-N 0 3 382.258 2.974 20 5 GFBDHN Cc1cc(Cl)cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000555551858 564797997 /nfs/dbraw/zinc/79/79/97/564797997.db2.gz AEFJPFXNWHGFSJ-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000584081697 564920063 /nfs/dbraw/zinc/92/00/63/564920063.db2.gz HWMBXEXEZBOVBF-KBPBESRZSA-N 0 3 388.205 2.857 20 5 GFBDHN CS[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000537925161 565064573 /nfs/dbraw/zinc/06/45/73/565064573.db2.gz MKCHNQRMBZPVMO-DZGCQCFKSA-N 0 3 387.889 2.521 20 5 GFBDHN NC(=O)[C@H]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602695612 565864110 /nfs/dbraw/zinc/86/41/10/565864110.db2.gz BEMCXXJHKKHGKM-KYZUINATSA-N 0 3 376.276 2.800 20 5 GFBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824773194 660401387 /nfs/dbraw/zinc/40/13/87/660401387.db2.gz JZWBGBWTVZMTGJ-CQSZACIVSA-N 0 3 377.224 2.820 20 5 GFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765222 660441212 /nfs/dbraw/zinc/44/12/12/660441212.db2.gz VFDMDNCNTZAJDM-QWRGUYRKSA-N 0 3 385.262 2.745 20 5 GFBDHN COc1c(Br)c([N+](=O)[O-])c(NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000836023378 660888349 /nfs/dbraw/zinc/88/83/49/660888349.db2.gz XTUPQQQLWHDSAX-UHFFFAOYSA-N 0 3 389.206 2.780 20 5 GFBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CCN(C)CC1 ZINC000273045365 655128580 /nfs/dbraw/zinc/12/85/80/655128580.db2.gz WSGUEPUUQNLAEU-VIFPVBQESA-N 0 3 386.221 2.877 20 5 GFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273148610 655132402 /nfs/dbraw/zinc/13/24/02/655132402.db2.gz WJOFMIABSDOBIJ-JKSUJKDBSA-N 0 3 381.226 2.714 20 5 GFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000273566652 655148491 /nfs/dbraw/zinc/14/84/91/655148491.db2.gz YLXIRDCTERWGEZ-HOTGVXAUSA-N 0 3 381.523 2.969 20 5 GFBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173993948 655188863 /nfs/dbraw/zinc/18/88/63/655188863.db2.gz MXNVVMGPDXVCIB-GFCCVEGCSA-N 0 3 375.878 2.661 20 5 GFBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](N2CCCC2)C1 ZINC000754637708 655870670 /nfs/dbraw/zinc/87/06/70/655870670.db2.gz XJPMYUWUGTUAOT-NSHDSACASA-N 0 3 386.221 2.807 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000782082413 657101962 /nfs/dbraw/zinc/10/19/62/657101962.db2.gz DJFULGDGYNUSTP-HOTGVXAUSA-N 0 3 381.226 2.714 20 5 GFBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813479554 660055391 /nfs/dbraw/zinc/05/53/91/660055391.db2.gz ABGXHZCUJBOAPQ-LBPRGKRZSA-N 0 3 388.251 2.885 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020758 660102584 /nfs/dbraw/zinc/10/25/84/660102584.db2.gz GWEFOFMLKDSIPV-LLVKDONJSA-N 0 3 393.868 2.882 20 5 GFBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806673 662577966 /nfs/dbraw/zinc/57/79/66/662577966.db2.gz HJLURSCTWVCTKR-ONGXEEELSA-N 0 3 394.280 2.616 20 5 GFBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991683 663536287 /nfs/dbraw/zinc/53/62/87/663536287.db2.gz YRLOKBBKJHYVRE-IUCAKERBSA-N 0 3 392.214 2.634 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768963 721120370 /nfs/dbraw/zinc/12/03/70/721120370.db2.gz OMJVTLHBDXJWJC-ZWKOTPCHSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000121397862 551233758 /nfs/dbraw/zinc/23/37/58/551233758.db2.gz SMTMJKZUICSMCQ-ZDUSSCGKSA-N 0 3 382.258 2.976 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000176974896 552148212 /nfs/dbraw/zinc/14/82/12/552148212.db2.gz GRTIKPZUPHPFTJ-UHFFFAOYSA-N 0 3 382.829 2.597 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000183726369 552317896 /nfs/dbraw/zinc/31/78/96/552317896.db2.gz GBJDXJPNYGYGFH-RYUDHWBXSA-N 0 3 375.878 2.517 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733456 553133654 /nfs/dbraw/zinc/13/36/54/553133654.db2.gz BINKVOJYPRBBPE-AAEUAGOBSA-N 0 3 382.258 2.914 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375029003 563388015 /nfs/dbraw/zinc/38/80/15/563388015.db2.gz AFKAJENXJSBGSC-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN CCN1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301495185 563405062 /nfs/dbraw/zinc/40/50/62/563405062.db2.gz AMSVMKPHSJZGNL-UHFFFAOYSA-N 0 3 375.210 2.731 20 5 GFBDHN CN(C)[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591367 563407957 /nfs/dbraw/zinc/40/79/57/563407957.db2.gz QUKOYYRSGWOFFE-QWRGUYRKSA-N 0 3 377.413 2.876 20 5 GFBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)c(Br)c1 ZINC000301803200 563412747 /nfs/dbraw/zinc/41/27/47/563412747.db2.gz CYSWHOJTRLQHRA-CQSZACIVSA-N 0 3 399.289 2.834 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000425466090 563423929 /nfs/dbraw/zinc/42/39/29/563423929.db2.gz AXECEFZFEMJHCK-HZPDHXFCSA-N 0 3 385.258 2.767 20 5 GFBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290685218 563717818 /nfs/dbraw/zinc/71/78/18/563717818.db2.gz HKJBZCMCUKGBGA-UHFFFAOYSA-N 0 3 396.296 2.864 20 5 GFBDHN CS[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000543311632 564345681 /nfs/dbraw/zinc/34/56/81/564345681.db2.gz PAVLGBOBHHZVPP-TZMCWYRMSA-N 0 3 389.930 2.844 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCC2CC2)c1 ZINC000516217885 564497065 /nfs/dbraw/zinc/49/70/65/564497065.db2.gz VJSPIEBSAZZQJI-UHFFFAOYSA-N 0 3 376.194 2.716 20 5 GFBDHN CO[C@H]1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890449 564752962 /nfs/dbraw/zinc/75/29/62/564752962.db2.gz UXRCFTZGZJNVCV-AAEUAGOBSA-N 0 3 376.194 2.857 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1N(C)C ZINC000490860693 564783120 /nfs/dbraw/zinc/78/31/20/564783120.db2.gz SVPDPSPLVRSIQT-STQMWFEESA-N 0 3 377.388 2.731 20 5 GFBDHN C[C@@H](CC(N)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498349999 564896669 /nfs/dbraw/zinc/89/66/69/564896669.db2.gz NYFAMFJQWVJEJB-VIFPVBQESA-N 0 3 382.214 2.971 20 5 GFBDHN CO[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000558485517 564903180 /nfs/dbraw/zinc/90/31/80/564903180.db2.gz CSAYAFFFDQNIOI-ZDUSSCGKSA-N 0 3 378.210 2.960 20 5 GFBDHN CCCCN(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498521 565083734 /nfs/dbraw/zinc/08/37/34/565083734.db2.gz UJBLCWKLCLOKIU-UHFFFAOYSA-N 0 3 378.210 2.794 20 5 GFBDHN CC[C@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589261289 565158685 /nfs/dbraw/zinc/15/86/85/565158685.db2.gz HLDRSWFNNDGMAP-ZDUSSCGKSA-N 0 3 376.194 2.858 20 5 GFBDHN CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C)C1 ZINC000592828126 565299292 /nfs/dbraw/zinc/29/92/92/565299292.db2.gz CTSCEZQOACKMGC-CQSZACIVSA-N 0 3 384.274 2.843 20 5 GFBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(CC)C1 ZINC000598042807 565590510 /nfs/dbraw/zinc/59/05/10/565590510.db2.gz YLQNFGPXRPLLCJ-CQSZACIVSA-N 0 3 384.274 2.843 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599009888 565654255 /nfs/dbraw/zinc/65/42/55/565654255.db2.gz NXZZVQXVLKWJRG-OCCSQVGLSA-N 0 3 388.205 2.857 20 5 GFBDHN O=C(C1CC1)N1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602428464 565847654 /nfs/dbraw/zinc/84/76/54/565847654.db2.gz NYPDQSXQTYDHCR-UHFFFAOYSA-N 0 3 388.287 2.909 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736842674 598830191 /nfs/dbraw/zinc/83/01/91/598830191.db2.gz SYYSHTABEQQTKD-UHFFFAOYSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736842674 598830193 /nfs/dbraw/zinc/83/01/93/598830193.db2.gz SYYSHTABEQQTKD-UHFFFAOYSA-N 0 3 393.451 2.876 20 5 GFBDHN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H]1CN1CCCCC1 ZINC000825707888 660438744 /nfs/dbraw/zinc/43/87/44/660438744.db2.gz AFWVCTBHUXCWKQ-LBPRGKRZSA-N 0 3 397.273 2.843 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471270 655114172 /nfs/dbraw/zinc/11/41/72/655114172.db2.gz RWIPDDRJBPBJMI-QMTHXVAHSA-N 0 3 383.246 2.915 20 5 GFBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728510 655253936 /nfs/dbraw/zinc/25/39/36/655253936.db2.gz DMQPSMOBYOSLRG-GFCCVEGCSA-N 0 3 375.878 2.661 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000177616779 655283402 /nfs/dbraw/zinc/28/34/02/655283402.db2.gz PJNQDFKJQZWJAI-ZDUSSCGKSA-N 0 3 387.889 2.806 20 5 GFBDHN CN(CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000732038373 655590928 /nfs/dbraw/zinc/59/09/28/655590928.db2.gz MFDXGIHECOPHNB-UHFFFAOYSA-N 0 3 377.413 2.877 20 5 GFBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249051 655841402 /nfs/dbraw/zinc/84/14/02/655841402.db2.gz YEYCCUXLIFGOCS-GFCCVEGCSA-N 0 3 375.878 2.567 20 5 GFBDHN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000754487953 655868725 /nfs/dbraw/zinc/86/87/25/655868725.db2.gz FQCJBMFOPIYFCW-SNVBAGLBSA-N 0 3 379.429 2.979 20 5 GFBDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838952 656254841 /nfs/dbraw/zinc/25/48/41/656254841.db2.gz YUINCIFGRXSUPC-LBPRGKRZSA-N 0 3 375.516 2.835 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN(CC2CCOCC2)CC1 ZINC000769404835 656274600 /nfs/dbraw/zinc/27/46/00/656274600.db2.gz QPBPYCHXQXDIAK-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000785862743 657391159 /nfs/dbraw/zinc/39/11/59/657391159.db2.gz HESRJPYOTGYWQT-HNNXBMFYSA-N 0 3 395.257 2.924 20 5 GFBDHN NC(=O)C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809975520 659954274 /nfs/dbraw/zinc/95/42/74/659954274.db2.gz MFNOUSCUSOOQEK-ZDUSSCGKSA-N 0 3 376.240 2.662 20 5 GFBDHN CC(C)C[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810138244 659964376 /nfs/dbraw/zinc/96/43/76/659964376.db2.gz NBXMSRJSYJUNPA-ZDUSSCGKSA-N 0 3 378.210 2.696 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813111687 660044212 /nfs/dbraw/zinc/04/42/12/660044212.db2.gz KIAAGUHTDGTAEL-NOZJJQNGSA-N 0 3 375.208 2.806 20 5 GFBDHN CC(COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[N+](=O)[O-] ZINC000813111413 660044269 /nfs/dbraw/zinc/04/42/69/660044269.db2.gz GTZBRSYWJKMYNL-ZETCQYMHSA-N 0 3 378.694 2.762 20 5 GFBDHN CC(COC(=O)CCC[S@@](=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109237 660044319 /nfs/dbraw/zinc/04/43/19/660044319.db2.gz HFSHLTDQCUOTSG-LADRHHBVSA-N 0 3 378.244 2.545 20 5 GFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000813112180 660044331 /nfs/dbraw/zinc/04/43/31/660044331.db2.gz DCOOUYQTYQLYPB-JTQLQIEISA-N 0 3 384.845 2.919 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000813114221 660044543 /nfs/dbraw/zinc/04/45/43/660044543.db2.gz NVVKGAXABRCNIU-RNCFNFMXSA-N 0 3 375.208 2.806 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000814990022 660100328 /nfs/dbraw/zinc/10/03/28/660100328.db2.gz YEVTWDZADIMCFK-GHMZBOCLSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000814990022 660100330 /nfs/dbraw/zinc/10/03/30/660100330.db2.gz YEVTWDZADIMCFK-GHMZBOCLSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035618 660105377 /nfs/dbraw/zinc/10/53/77/660105377.db2.gz NPWYUPRJILRXHG-SNVBAGLBSA-N 0 3 379.841 2.540 20 5 GFBDHN CC([C@@H](OC(=O)c1nn(C)cc1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845876330 661502975 /nfs/dbraw/zinc/50/29/75/661502975.db2.gz CFHKDEBBACKCRU-AMIZOPFISA-N 0 3 386.177 2.885 20 5 GFBDHN O=[N+]([O-])c1cc(CN(CCN2CCOCC2)CC2CC2)ccc1Br ZINC000852636362 661869243 /nfs/dbraw/zinc/86/92/43/661869243.db2.gz SLVDWRRIQMYMRN-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000869072701 662629023 /nfs/dbraw/zinc/62/90/23/662629023.db2.gz PZTIAERXBNPDKP-ZDUSSCGKSA-N 0 3 384.274 2.843 20 5 GFBDHN Cc1c(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971379 722124488 /nfs/dbraw/zinc/12/44/88/722124488.db2.gz BSDFNUYILYJDFA-ICSRJNTNSA-N 0 3 397.479 2.729 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000121398014 551233725 /nfs/dbraw/zinc/23/37/25/551233725.db2.gz SMTMJKZUICSMCQ-CYBMUJFWSA-N 0 3 382.258 2.976 20 5 GFBDHN CN1CCN([C@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127038230 551336328 /nfs/dbraw/zinc/33/63/28/551336328.db2.gz RKLZHLCFZSVHOD-HNNXBMFYSA-N 0 3 397.317 2.964 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000173260511 552081694 /nfs/dbraw/zinc/08/16/94/552081694.db2.gz YBNYBUMOSVYPBE-BXUZGUMPSA-N 0 3 375.878 2.599 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193908756 553006340 /nfs/dbraw/zinc/00/63/40/553006340.db2.gz URCIZAJHUWHZMN-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295836642 563264748 /nfs/dbraw/zinc/26/47/48/563264748.db2.gz ZCNHGXVFXFVZOJ-UHFFFAOYSA-N 0 3 396.296 2.864 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000282108153 563398207 /nfs/dbraw/zinc/39/82/07/563398207.db2.gz PSZCXVQFLQXXSD-CQSZACIVSA-N 0 3 394.225 2.632 20 5 GFBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275852 563424734 /nfs/dbraw/zinc/42/47/34/563424734.db2.gz IVIMRXKIFPPILZ-AWEZNQCLSA-N 0 3 387.267 2.644 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290827901 563722631 /nfs/dbraw/zinc/72/26/31/563722631.db2.gz UHDOPTRGLCTCFR-JTQLQIEISA-N 0 3 393.868 2.738 20 5 GFBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512695 564184875 /nfs/dbraw/zinc/18/48/75/564184875.db2.gz CDMDTYKQTAZLGK-QGZVFWFLSA-N 0 3 396.285 2.844 20 5 GFBDHN CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000449647880 564193731 /nfs/dbraw/zinc/19/37/31/564193731.db2.gz PYURKCWPSXJWFN-OLZOCXBDSA-N 0 3 378.210 2.839 20 5 GFBDHN CCC[C@@](C)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564689296 564245242 /nfs/dbraw/zinc/24/52/42/564245242.db2.gz NFOJHBAZTRCQPV-ZDUSSCGKSA-N 0 3 378.210 2.840 20 5 GFBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580390 564347084 /nfs/dbraw/zinc/34/70/84/564347084.db2.gz UFGKSSBRNPZYOD-GFCCVEGCSA-N 0 3 375.878 2.791 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000515737484 564487040 /nfs/dbraw/zinc/48/70/40/564487040.db2.gz NHVYHERXQAQMED-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Br)s2)c1 ZINC000553199935 564711985 /nfs/dbraw/zinc/71/19/85/564711985.db2.gz ZKDLSIGOSVGOOK-LLVKDONJSA-N 0 3 387.255 2.948 20 5 GFBDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531509204 564912307 /nfs/dbraw/zinc/91/23/07/564912307.db2.gz MOFVCQIELSIVES-UHFFFAOYSA-N 0 3 386.290 2.946 20 5 GFBDHN CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000589256985 565157943 /nfs/dbraw/zinc/15/79/43/565157943.db2.gz AIIRHTHGTMWQAD-NSHDSACASA-N 0 3 389.237 2.725 20 5 GFBDHN CN1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000619586971 565350916 /nfs/dbraw/zinc/35/09/16/565350916.db2.gz MNPNUKZMYOWETD-GFCCVEGCSA-N 0 3 383.290 2.938 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H](CO)CC2CC2)c1 ZINC000594983922 565439366 /nfs/dbraw/zinc/43/93/66/565439366.db2.gz RGZAGYUQPQHKAN-GFCCVEGCSA-N 0 3 390.221 2.698 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1N1CCC(CN2CCOCC2)CC1 ZINC000596076144 565512197 /nfs/dbraw/zinc/51/21/97/565512197.db2.gz FQWAHOZLMKAPQZ-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN O=[N+]([O-])c1sc(CNC2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000602718701 565864768 /nfs/dbraw/zinc/86/47/68/565864768.db2.gz QCZVNIUSFJAILM-NSHDSACASA-N 0 3 390.303 2.762 20 5 GFBDHN C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736201107 599170595 /nfs/dbraw/zinc/17/05/95/599170595.db2.gz GQIGHZYNQJRSMG-CYBMUJFWSA-N 0 3 394.439 2.807 20 5 GFBDHN C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736201107 599170597 /nfs/dbraw/zinc/17/05/97/599170597.db2.gz GQIGHZYNQJRSMG-CYBMUJFWSA-N 0 3 394.439 2.807 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738373727 598580744 /nfs/dbraw/zinc/58/07/44/598580744.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738373727 598580746 /nfs/dbraw/zinc/58/07/46/598580746.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738373727 598580748 /nfs/dbraw/zinc/58/07/48/598580748.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738373727 598580750 /nfs/dbraw/zinc/58/07/50/598580750.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 0 3 386.460 2.627 20 5 GFBDHN CCCC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821066501 599497759 /nfs/dbraw/zinc/49/77/59/599497759.db2.gz UKCULELOWZQMJV-UHFFFAOYSA-N 0 3 396.455 3.000 20 5 GFBDHN CCCC[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821066501 599497761 /nfs/dbraw/zinc/49/77/61/599497761.db2.gz UKCULELOWZQMJV-UHFFFAOYSA-N 0 3 396.455 3.000 20 5 GFBDHN Cc1c(Br)c(NCCCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000541591232 650387683 /nfs/dbraw/zinc/38/76/83/650387683.db2.gz MYAKLHDPJDIVIX-UHFFFAOYSA-N 0 3 386.294 2.500 20 5 GFBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCCCC1 ZINC000823559998 660374724 /nfs/dbraw/zinc/37/47/24/660374724.db2.gz BVVPKDSZPKKISQ-UHFFFAOYSA-N 0 3 385.262 2.747 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471274 655114091 /nfs/dbraw/zinc/11/40/91/655114091.db2.gz RWIPDDRJBPBJMI-YGRLFVJLSA-N 0 3 383.246 2.915 20 5 GFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000273566654 655148375 /nfs/dbraw/zinc/14/83/75/655148375.db2.gz YLXIRDCTERWGEZ-JKSUJKDBSA-N 0 3 381.523 2.969 20 5 GFBDHN CCCN1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984522 655590413 /nfs/dbraw/zinc/59/04/13/655590413.db2.gz LIGMVPXJUOJHTG-NSHDSACASA-N 0 3 377.413 2.735 20 5 GFBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000761883470 656023529 /nfs/dbraw/zinc/02/35/29/656023529.db2.gz WNXDTQOIWHPXSN-ZDUSSCGKSA-N 0 3 385.262 2.808 20 5 GFBDHN Cc1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1Br ZINC000786803402 657466859 /nfs/dbraw/zinc/46/68/59/657466859.db2.gz GZTMQDQIODMSFJ-CYBMUJFWSA-N 0 3 384.274 2.824 20 5 GFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169929 659078296 /nfs/dbraw/zinc/07/82/96/659078296.db2.gz GSOZYECJIRGJBR-LLVKDONJSA-N 0 3 385.262 2.747 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000809808386 659940172 /nfs/dbraw/zinc/94/01/72/659940172.db2.gz QZNUFCQXMXBGBM-QWRGUYRKSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000809808386 659940175 /nfs/dbraw/zinc/94/01/75/659940175.db2.gz QZNUFCQXMXBGBM-QWRGUYRKSA-N 0 3 393.868 2.929 20 5 GFBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813113061 660044294 /nfs/dbraw/zinc/04/42/94/660044294.db2.gz WXTXDMYFTMRREV-PJCOJXEDSA-N 0 3 375.208 2.721 20 5 GFBDHN C[C@@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109258 661368502 /nfs/dbraw/zinc/36/85/02/661368502.db2.gz WYCLJSNPYFLVRV-SWLSCSKDSA-N 0 3 384.479 2.532 20 5 GFBDHN CC([C@@H](OC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877421 661503030 /nfs/dbraw/zinc/50/30/30/661503030.db2.gz PRLNXOAACUCYNU-LKFCYVNXSA-N 0 3 387.410 2.854 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848508117 661658515 /nfs/dbraw/zinc/65/85/15/661658515.db2.gz HTQZZODFDTWYBR-OLZOCXBDSA-N 0 3 391.852 2.683 20 5 GFBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812926 662579411 /nfs/dbraw/zinc/57/94/11/662579411.db2.gz OAMZNBYNZVCNSW-SKDRFNHKSA-N 0 3 394.280 2.616 20 5 GFBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812924 662579515 /nfs/dbraw/zinc/57/95/15/662579515.db2.gz OAMZNBYNZVCNSW-CABZTGNLSA-N 0 3 394.280 2.616 20 5 GFBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876380 663623434 /nfs/dbraw/zinc/62/34/34/663623434.db2.gz LDTAYSCJINLKKJ-VIFPVBQESA-N 0 3 394.230 2.617 20 5 GFBDHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000151739259 551420417 /nfs/dbraw/zinc/42/04/17/551420417.db2.gz DWZMESGCHJHKBI-UHFFFAOYSA-N 0 3 375.878 2.647 20 5 GFBDHN CC(C)NS(=O)(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171767522 551662662 /nfs/dbraw/zinc/66/26/62/551662662.db2.gz XTSSFYGQHVSQNY-UHFFFAOYSA-N 0 3 383.495 2.741 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173262027 552081685 /nfs/dbraw/zinc/08/16/85/552081685.db2.gz GXTCOFRACPNJAI-ABAIWWIYSA-N 0 3 389.905 2.907 20 5 GFBDHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702724 552157070 /nfs/dbraw/zinc/15/70/70/552157070.db2.gz WOCJNHIEMQPIQW-ZDUSSCGKSA-N 0 3 399.289 2.712 20 5 GFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246189669 553103935 /nfs/dbraw/zinc/10/39/35/553103935.db2.gz OOKSFJCNZQZLQK-XHDPSFHLSA-N 0 3 384.274 2.698 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204501 553104368 /nfs/dbraw/zinc/10/43/68/553104368.db2.gz FGXBNTFMBSMNRF-FZMZJTMJSA-N 0 3 382.258 2.914 20 5 GFBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000369721147 563222869 /nfs/dbraw/zinc/22/28/69/563222869.db2.gz LZWGFFULOSOSEY-UHFFFAOYSA-N 0 3 387.889 2.745 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535544 563408900 /nfs/dbraw/zinc/40/89/00/563408900.db2.gz AGNMYJIEFVZJNU-HZMBPMFUSA-N 0 3 383.246 2.915 20 5 GFBDHN O=C(CNc1ccc(Br)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431512414 563562327 /nfs/dbraw/zinc/56/23/27/563562327.db2.gz OQOYOXZYXUYAKD-UHFFFAOYSA-N 0 3 399.289 2.761 20 5 GFBDHN COc1cc(CNCCCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000288531819 563646542 /nfs/dbraw/zinc/64/65/42/563646542.db2.gz VURHKXZJSFLNRI-UHFFFAOYSA-N 0 3 399.245 2.751 20 5 GFBDHN CCS(=O)(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290322567 563704658 /nfs/dbraw/zinc/70/46/58/563704658.db2.gz ABAFJWUOZMDAJP-UHFFFAOYSA-N 0 3 396.296 2.805 20 5 GFBDHN O=C1C[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1 ZINC000414485569 563744317 /nfs/dbraw/zinc/74/43/17/563744317.db2.gz POGZZHIIXNUYTL-JTQLQIEISA-N 0 3 394.225 2.843 20 5 GFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC1(OCCO)CCOCC1 ZINC000291555729 563747274 /nfs/dbraw/zinc/74/72/74/563747274.db2.gz MQPZYKIXNDQJEE-UHFFFAOYSA-N 0 3 379.240 2.549 20 5 GFBDHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777057 564295677 /nfs/dbraw/zinc/29/56/77/564295677.db2.gz IXBLMZVSFZAFEX-HZMBPMFUSA-N 0 3 388.262 2.683 20 5 GFBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777064 564295803 /nfs/dbraw/zinc/29/58/03/564295803.db2.gz IXBLMZVSFZAFEX-QMTHXVAHSA-N 0 3 388.262 2.683 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476796 564334913 /nfs/dbraw/zinc/33/49/13/564334913.db2.gz RMQGQKKQLUUMLS-LKFCYVNXSA-N 0 3 382.258 2.878 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCC[C@H]2O)c1 ZINC000518445750 564554551 /nfs/dbraw/zinc/55/45/51/564554551.db2.gz YFLIDVJOFXJRHF-CHWSQXEVSA-N 0 3 376.194 2.593 20 5 GFBDHN CC(C)N(C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000573611314 564646445 /nfs/dbraw/zinc/64/64/45/564646445.db2.gz VZIMYGOYHRKMQE-UHFFFAOYSA-N 0 3 377.226 2.629 20 5 GFBDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000487953346 564700175 /nfs/dbraw/zinc/70/01/75/564700175.db2.gz KFUWVKXNRGQHNM-HNNXBMFYSA-N 0 3 399.289 2.568 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000584558457 565088098 /nfs/dbraw/zinc/08/80/98/565088098.db2.gz QRAOCKFKKUTIMZ-UHFFFAOYSA-N 0 3 376.194 2.810 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000594990522 565440045 /nfs/dbraw/zinc/44/00/45/565440045.db2.gz ZQBKRGHAMIWQHC-OLZOCXBDSA-N 0 3 388.205 2.593 20 5 GFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716670 565572166 /nfs/dbraw/zinc/57/21/66/565572166.db2.gz RLBZIFBXMJJEJT-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736201110 599170713 /nfs/dbraw/zinc/17/07/13/599170713.db2.gz GQIGHZYNQJRSMG-ZDUSSCGKSA-N 0 3 394.439 2.807 20 5 GFBDHN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736201110 599170715 /nfs/dbraw/zinc/17/07/15/599170715.db2.gz GQIGHZYNQJRSMG-ZDUSSCGKSA-N 0 3 394.439 2.807 20 5 GFBDHN C[NH+](C)CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736768203 598674378 /nfs/dbraw/zinc/67/43/78/598674378.db2.gz XWIJBNUOXYPVRV-UHFFFAOYSA-N 0 3 397.439 2.718 20 5 GFBDHN C[NH+](C)CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736768203 598674380 /nfs/dbraw/zinc/67/43/80/598674380.db2.gz XWIJBNUOXYPVRV-UHFFFAOYSA-N 0 3 397.439 2.718 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552875 /nfs/dbraw/zinc/55/28/75/607552875.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552876 /nfs/dbraw/zinc/55/28/76/607552876.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552877 /nfs/dbraw/zinc/55/28/77/607552877.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552878 /nfs/dbraw/zinc/55/28/78/607552878.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN CC[N@@H+]1CCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124349 /nfs/dbraw/zinc/12/43/49/606124349.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@H+]1CCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124351 /nfs/dbraw/zinc/12/43/51/606124351.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@@H+]1CCCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124352 /nfs/dbraw/zinc/12/43/52/606124352.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@H+]1CCCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124354 /nfs/dbraw/zinc/12/43/54/606124354.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 0 3 382.428 2.609 20 5 GFBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580999 606474053 /nfs/dbraw/zinc/47/40/53/606474053.db2.gz AQSTZKOOXZLYKD-RYUDHWBXSA-N 0 3 382.428 2.608 20 5 GFBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580999 606474055 /nfs/dbraw/zinc/47/40/55/606474055.db2.gz AQSTZKOOXZLYKD-RYUDHWBXSA-N 0 3 382.428 2.608 20 5 GFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838660 660682807 /nfs/dbraw/zinc/68/28/07/660682807.db2.gz ZXYOZPFOCDZUNM-GFCCVEGCSA-N 0 3 385.262 2.603 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471267 655113853 /nfs/dbraw/zinc/11/38/53/655113853.db2.gz RWIPDDRJBPBJMI-IINYFYTJSA-N 0 3 383.246 2.915 20 5 GFBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249054 655841319 /nfs/dbraw/zinc/84/13/19/655841319.db2.gz YEYCCUXLIFGOCS-LBPRGKRZSA-N 0 3 375.878 2.567 20 5 GFBDHN C[C@@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227360 659086265 /nfs/dbraw/zinc/08/62/65/659086265.db2.gz OPARASIMMGOREA-JTQLQIEISA-N 0 3 379.841 2.540 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000805112898 659741968 /nfs/dbraw/zinc/74/19/68/659741968.db2.gz FIDRGKADEZDKOZ-TZMCWYRMSA-N 0 3 387.889 2.804 20 5 GFBDHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813538 659940926 /nfs/dbraw/zinc/94/09/26/659940926.db2.gz ZKEWMAFNPWXHFX-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813538 659940927 /nfs/dbraw/zinc/94/09/27/659940927.db2.gz ZKEWMAFNPWXHFX-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN CC(COC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)[N+](=O)[O-] ZINC000813104976 660043933 /nfs/dbraw/zinc/04/39/33/660043933.db2.gz IMIWUPWQLHNPDT-NSHDSACASA-N 0 3 390.483 2.571 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000813111587 660044252 /nfs/dbraw/zinc/04/42/52/660044252.db2.gz VJOQXLPPACXHIJ-NOZJJQNGSA-N 0 3 375.208 2.806 20 5 GFBDHN CC(COC(=O)CCC[S@](=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109239 660044433 /nfs/dbraw/zinc/04/44/33/660044433.db2.gz HFSHLTDQCUOTSG-UZJPJQLHSA-N 0 3 378.244 2.545 20 5 GFBDHN CC([C@H](OC(=O)c1cc(Br)nn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879331 661503325 /nfs/dbraw/zinc/50/33/25/661503325.db2.gz IPNBNFOXURXGCV-SDBXPKJASA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@H](OC(=O)c1cc(Br)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883304 661503685 /nfs/dbraw/zinc/50/36/85/661503685.db2.gz RRERVOASMPYWAE-SDBXPKJASA-N 0 3 386.177 2.885 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478293 663055746 /nfs/dbraw/zinc/05/57/46/663055746.db2.gz BEUZWOPYPQHVDV-UHFFFAOYSA-N 0 3 394.280 2.808 20 5 GFBDHN CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000912733052 664300082 /nfs/dbraw/zinc/30/00/82/664300082.db2.gz NQWDNEMASGMSGR-UHFFFAOYSA-N 0 3 383.392 2.888 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cnc2c1 ZINC001164722164 720351703 /nfs/dbraw/zinc/35/17/03/720351703.db2.gz FGXZCHJCBDSRQX-RBUKOAKNSA-N 0 3 376.420 2.786 20 5 GFBDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000153026535 551444773 /nfs/dbraw/zinc/44/47/73/551444773.db2.gz GKDMHNJKGVHXCU-WCQYABFASA-N 0 3 384.274 2.841 20 5 GFBDHN CN(CCN(C)C1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181469910 552257600 /nfs/dbraw/zinc/25/76/00/552257600.db2.gz NAWRNPRVXDENFR-UHFFFAOYSA-N 0 3 375.516 2.761 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246164993 553103286 /nfs/dbraw/zinc/10/32/86/553103286.db2.gz MCMJQCIIGFPDAZ-AAEUAGOBSA-N 0 3 375.878 2.599 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517037 553123155 /nfs/dbraw/zinc/12/31/55/553123155.db2.gz NRCFFCGFTYQHQG-SWLSCSKDSA-N 0 3 387.889 2.661 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517020 553123284 /nfs/dbraw/zinc/12/32/84/553123284.db2.gz NRCFFCGFTYQHQG-IUODEOHRSA-N 0 3 387.889 2.661 20 5 GFBDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623502 563331814 /nfs/dbraw/zinc/33/18/14/563331814.db2.gz BXPQEUFYNFYNAR-OAHLLOKOSA-N 0 3 383.246 2.917 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535545 563408881 /nfs/dbraw/zinc/40/88/81/563408881.db2.gz AGNMYJIEFVZJNU-IINYFYTJSA-N 0 3 383.246 2.915 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000290115193 563698963 /nfs/dbraw/zinc/69/89/63/563698963.db2.gz YCMDAWVBWGODNL-SNVBAGLBSA-N 0 3 376.194 2.668 20 5 GFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805950 563722173 /nfs/dbraw/zinc/72/21/73/563722173.db2.gz RUIYODSOSFJOLP-SKDRFNHKSA-N 0 3 396.296 2.862 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC000294166027 563832114 /nfs/dbraw/zinc/83/21/14/563832114.db2.gz SGRSMSGVWBWSFK-UHFFFAOYSA-N 0 3 396.245 2.676 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504407 564236418 /nfs/dbraw/zinc/23/64/18/564236418.db2.gz KCVIYXAEOFMVMF-NWDGAFQWSA-N 0 3 375.878 2.742 20 5 GFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC(C)(C)C ZINC000540142692 564240573 /nfs/dbraw/zinc/24/05/73/564240573.db2.gz LLQYNVSAYORSDB-ZDUSSCGKSA-N 0 3 389.543 2.773 20 5 GFBDHN CC(C)C[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000567284005 564365264 /nfs/dbraw/zinc/36/52/64/564365264.db2.gz CGTYNWKYHRUUSV-LBPRGKRZSA-N 0 3 378.210 2.696 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000554936126 564778294 /nfs/dbraw/zinc/77/82/94/564778294.db2.gz NYBVYVOBQAVOBJ-BXUZGUMPSA-N 0 3 390.221 2.792 20 5 GFBDHN CC[C@H](O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554970729 564780138 /nfs/dbraw/zinc/78/01/38/564780138.db2.gz FTXQKBQOLYXQCF-ZDUSSCGKSA-N 0 3 378.210 2.840 20 5 GFBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462289790 564831936 /nfs/dbraw/zinc/83/19/36/564831936.db2.gz BNYCGOXDPWWITJ-UHFFFAOYSA-N 0 3 396.296 2.864 20 5 GFBDHN CC[C@@H](C)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635273 564855495 /nfs/dbraw/zinc/85/54/95/564855495.db2.gz UCZSQMJREGJEET-NOZJJQNGSA-N 0 3 378.210 2.696 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869811 /nfs/dbraw/zinc/86/98/11/598869811.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869813 /nfs/dbraw/zinc/86/98/13/598869813.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869814 /nfs/dbraw/zinc/86/98/14/598869814.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869816 /nfs/dbraw/zinc/86/98/16/598869816.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369588 598673704 /nfs/dbraw/zinc/67/37/04/598673704.db2.gz JPZXJUHNSQFYQQ-OAHLLOKOSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369588 598673706 /nfs/dbraw/zinc/67/37/06/598673706.db2.gz JPZXJUHNSQFYQQ-OAHLLOKOSA-N 0 3 385.472 2.867 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820225584 607084080 /nfs/dbraw/zinc/08/40/80/607084080.db2.gz LZJRMNSGLGDVOL-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820225584 607084082 /nfs/dbraw/zinc/08/40/82/607084082.db2.gz LZJRMNSGLGDVOL-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272335 608468129 /nfs/dbraw/zinc/46/81/29/608468129.db2.gz DUUQQXJLUFGLET-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272335 608468130 /nfs/dbraw/zinc/46/81/30/608468130.db2.gz DUUQQXJLUFGLET-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826499071 608520777 /nfs/dbraw/zinc/52/07/77/608520777.db2.gz UUYJJNQDKSWCAU-SFHVURJKSA-N 0 3 380.408 2.821 20 5 GFBDHN O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826499071 608520779 /nfs/dbraw/zinc/52/07/79/608520779.db2.gz UUYJJNQDKSWCAU-SFHVURJKSA-N 0 3 380.408 2.821 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000124131431 654771482 /nfs/dbraw/zinc/77/14/82/654771482.db2.gz LYCXBUGZQUXANW-GFCCVEGCSA-N 0 3 375.878 2.519 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C[NH+]2CCCC2)s1 ZINC000064244566 654864898 /nfs/dbraw/zinc/86/48/98/654864898.db2.gz MFMCSFBTQFCBNG-UHFFFAOYSA-N 0 3 381.479 2.731 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000272501107 655115029 /nfs/dbraw/zinc/11/50/29/655115029.db2.gz LHZDBSXMRRBXCZ-LLVKDONJSA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000273147736 655132157 /nfs/dbraw/zinc/13/21/57/655132157.db2.gz WJOFMIABSDOBIJ-HZPDHXFCSA-N 0 3 381.226 2.714 20 5 GFBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000113354572 655208509 /nfs/dbraw/zinc/20/85/09/655208509.db2.gz MVFLYUGEWRPFJI-UHFFFAOYSA-N 0 3 378.226 2.877 20 5 GFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000782082421 657101887 /nfs/dbraw/zinc/10/18/87/657101887.db2.gz DJFULGDGYNUSTP-JKSUJKDBSA-N 0 3 381.226 2.714 20 5 GFBDHN C[C@@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000883601108 663057680 /nfs/dbraw/zinc/05/76/80/663057680.db2.gz QUTTXGBITHPKAL-LLVKDONJSA-N 0 3 397.273 2.807 20 5 GFBDHN c1cnc2c(c1)ccc1ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742357 720653903 /nfs/dbraw/zinc/65/39/03/720653903.db2.gz MZZCZBPOSMLTFY-OALUTQOASA-N 0 3 398.470 2.915 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871464 721075317 /nfs/dbraw/zinc/07/53/17/721075317.db2.gz YYSXCMJTKVCCFO-HOTGVXAUSA-N 0 3 389.843 2.518 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761879 721241668 /nfs/dbraw/zinc/24/16/68/721241668.db2.gz JRUBCWSMFKXZFJ-QZTJIDSGSA-N 0 3 392.463 2.835 20 5 GFBDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151738551 551420364 /nfs/dbraw/zinc/42/03/64/551420364.db2.gz NFWRHEYBNIDKAD-CQSZACIVSA-N 0 3 384.274 2.843 20 5 GFBDHN CN(CCc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159812786 551571634 /nfs/dbraw/zinc/57/16/34/551571634.db2.gz KFGLDYLCNVKRBT-UHFFFAOYSA-N 0 3 380.242 2.694 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000180174561 552216256 /nfs/dbraw/zinc/21/62/56/552216256.db2.gz YZSXWJWDMCCCFF-OLZOCXBDSA-N 0 3 387.889 2.661 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188263791 552440887 /nfs/dbraw/zinc/44/08/87/552440887.db2.gz DVSZICPUQBFGLM-UHFFFAOYSA-N 0 3 375.878 2.745 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426593 552495735 /nfs/dbraw/zinc/49/57/35/552495735.db2.gz BINKVOJYPRBBPE-YPMHNXCESA-N 0 3 382.258 2.914 20 5 GFBDHN O=C(NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000375963487 563424707 /nfs/dbraw/zinc/42/47/07/563424707.db2.gz KGAPMECMCRBANL-MRXNPFEDSA-N 0 3 390.237 2.974 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729789 563452290 /nfs/dbraw/zinc/45/22/90/563452290.db2.gz STWQBZUJRSBWNJ-NOZJJQNGSA-N 0 3 386.221 2.663 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923774 563527330 /nfs/dbraw/zinc/52/73/30/563527330.db2.gz SQESCCBONZIEOF-LBPRGKRZSA-N 0 3 375.878 2.743 20 5 GFBDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000433879093 563622447 /nfs/dbraw/zinc/62/24/47/563622447.db2.gz KGQRCFRLXXZAIK-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000539044865 564208827 /nfs/dbraw/zinc/20/88/27/564208827.db2.gz XONLDTHTXWOFNC-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCn3ccnc3C2)c1 ZINC000564497024 564235776 /nfs/dbraw/zinc/23/57/76/564235776.db2.gz OPPGKQWLTJELHG-LBPRGKRZSA-N 0 3 398.204 2.501 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc(Br)cs1 ZINC000568928054 564440742 /nfs/dbraw/zinc/44/07/42/564440742.db2.gz LOZIDVJFXRXROI-NSHDSACASA-N 0 3 387.255 2.948 20 5 GFBDHN Cc1cc(CCNCc2cc(I)cc([N+](=O)[O-])c2)on1 ZINC000571572031 564557235 /nfs/dbraw/zinc/55/72/35/564557235.db2.gz SKXHXCSJUBIKNS-UHFFFAOYSA-N 0 3 387.177 2.828 20 5 GFBDHN Cc1cnc(CCNCc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000575370954 564697612 /nfs/dbraw/zinc/69/76/12/564697612.db2.gz UOPDHPZDGSXHHK-UHFFFAOYSA-N 0 3 398.204 2.630 20 5 GFBDHN C[C@@]1(CO)CCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037951 565016485 /nfs/dbraw/zinc/01/64/85/565016485.db2.gz FTHDXAFGFNIFOA-KBPBESRZSA-N 0 3 390.221 2.840 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Br)cc2)c1 ZINC000584715034 565093232 /nfs/dbraw/zinc/09/32/32/565093232.db2.gz BYYCNJCPLDROOK-HNNXBMFYSA-N 0 3 381.226 2.887 20 5 GFBDHN CC[C@](C)(CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315662 565161032 /nfs/dbraw/zinc/16/10/32/565161032.db2.gz NLPCPDNQZROWBE-CYBMUJFWSA-N 0 3 378.210 2.840 20 5 GFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976969 565709162 /nfs/dbraw/zinc/70/91/62/565709162.db2.gz FNHBGHQLGZZADA-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820727450 599109400 /nfs/dbraw/zinc/10/94/00/599109400.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727450 599109403 /nfs/dbraw/zinc/10/94/03/599109403.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727450 599109406 /nfs/dbraw/zinc/10/94/06/599109406.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727450 599109408 /nfs/dbraw/zinc/10/94/08/599109408.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821198389 599327112 /nfs/dbraw/zinc/32/71/12/599327112.db2.gz SZCVSRVYICHHFW-UHFFFAOYSA-N 0 3 382.428 2.624 20 5 GFBDHN CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821198389 599327115 /nfs/dbraw/zinc/32/71/15/599327115.db2.gz SZCVSRVYICHHFW-UHFFFAOYSA-N 0 3 382.428 2.624 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668773 606875344 /nfs/dbraw/zinc/87/53/44/606875344.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668773 606875345 /nfs/dbraw/zinc/87/53/45/606875345.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668773 606875346 /nfs/dbraw/zinc/87/53/46/606875346.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668773 606875347 /nfs/dbraw/zinc/87/53/47/606875347.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 0 3 379.424 2.850 20 5 GFBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000069137363 654974552 /nfs/dbraw/zinc/97/45/52/654974552.db2.gz WLFFQWVXSAKAIM-GFCCVEGCSA-N 0 3 375.878 2.567 20 5 GFBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728525 655253990 /nfs/dbraw/zinc/25/39/90/655253990.db2.gz DMQPSMOBYOSLRG-LBPRGKRZSA-N 0 3 375.878 2.661 20 5 GFBDHN CC(C)c1nc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000578232315 655474504 /nfs/dbraw/zinc/47/45/04/655474504.db2.gz ORCMDKLIXWGNEG-UHFFFAOYSA-N 0 3 383.495 2.781 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893718 655700392 /nfs/dbraw/zinc/70/03/92/655700392.db2.gz BSWAOAOUZUOSSU-AAEUAGOBSA-N 0 3 375.878 2.742 20 5 GFBDHN C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000783724976 657254553 /nfs/dbraw/zinc/25/45/53/657254553.db2.gz ZNAURHWSHYVKRX-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN CC([C@H](OC(=O)Cn1cc(Br)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876840 661502962 /nfs/dbraw/zinc/50/29/62/661502962.db2.gz QYDHRROZNVMHLQ-OTYXRUKQSA-N 0 3 386.177 2.734 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874833451 662837778 /nfs/dbraw/zinc/83/77/78/662837778.db2.gz NBGVBAMHFFSCFH-KBPBESRZSA-N 0 3 382.258 2.974 20 5 GFBDHN O=[N+]([O-])c1ccccc1CCNCc1sc(N2CCOCC2)nc1Cl ZINC000894297896 663453030 /nfs/dbraw/zinc/45/30/30/663453030.db2.gz GMZPATYEKMIHER-UHFFFAOYSA-N 0 3 382.873 2.874 20 5 GFBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cccnc1[N+](=O)[O-] ZINC000933437681 664864034 /nfs/dbraw/zinc/86/40/34/664864034.db2.gz BQRLIXNWOQACRK-INIZCTEOSA-N 0 3 380.242 2.836 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871468 721075781 /nfs/dbraw/zinc/07/57/81/721075781.db2.gz YYSXCMJTKVCCFO-JKSUJKDBSA-N 0 3 389.843 2.518 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762111 721117042 /nfs/dbraw/zinc/11/70/42/721117042.db2.gz BYAMSYIXXAHPNX-IAGOWNOFSA-N 0 3 392.463 2.835 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763233 721183225 /nfs/dbraw/zinc/18/32/25/721183225.db2.gz DUEDFZDBPZUBJK-ZWKOTPCHSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000146246039 551397356 /nfs/dbraw/zinc/39/73/56/551397356.db2.gz AMUJTDULLAKEHY-ZDUSSCGKSA-N 0 3 387.889 2.806 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(Cl)c1 ZINC000173631534 552089458 /nfs/dbraw/zinc/08/94/58/552089458.db2.gz MLGLRQCSLNBKPK-CYBMUJFWSA-N 0 3 387.889 2.745 20 5 GFBDHN C[C@@H]1CCCCN1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370528 553107291 /nfs/dbraw/zinc/10/72/91/553107291.db2.gz LQABRIXGWWFRLF-ZIAGYGMSSA-N 0 3 387.527 2.931 20 5 GFBDHN CN1CCC[C@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305363 563399927 /nfs/dbraw/zinc/39/99/27/563399927.db2.gz UGFPWYFCULNPEO-AWEZNQCLSA-N 0 3 383.290 2.574 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537947 563408757 /nfs/dbraw/zinc/40/87/57/563408757.db2.gz VOAVQEXADLUERR-YGRLFVJLSA-N 0 3 383.246 2.915 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535547 563409083 /nfs/dbraw/zinc/40/90/83/563409083.db2.gz AGNMYJIEFVZJNU-YGRLFVJLSA-N 0 3 383.246 2.915 20 5 GFBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275853 563424313 /nfs/dbraw/zinc/42/43/13/563424313.db2.gz IVIMRXKIFPPILZ-CQSZACIVSA-N 0 3 387.267 2.644 20 5 GFBDHN CCN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416475625 563835220 /nfs/dbraw/zinc/83/52/20/563835220.db2.gz VCPKPOHTSQXXOC-UHFFFAOYSA-N 0 3 383.392 2.622 20 5 GFBDHN Cc1c(Br)c(N2CCC(CN3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000542519980 564317436 /nfs/dbraw/zinc/31/74/36/564317436.db2.gz BSBFCXZQZGKWPY-UHFFFAOYSA-N 0 3 399.289 2.609 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000515757733 564486873 /nfs/dbraw/zinc/48/68/73/564486873.db2.gz SARGYVVTNGIHTL-GFCCVEGCSA-N 0 3 389.905 2.957 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC[C@H]2CCO)c1 ZINC000571927356 564572610 /nfs/dbraw/zinc/57/26/10/564572610.db2.gz ABUYMSKBXCRYOR-FZMZJTMJSA-N 0 3 390.221 2.840 20 5 GFBDHN CN(C)CCOc1cnccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000576545524 564715420 /nfs/dbraw/zinc/71/54/20/564715420.db2.gz QKMVTHHTDBGNJY-UHFFFAOYSA-N 0 3 396.245 2.700 20 5 GFBDHN O=[N+]([O-])c1cc(CNCCCNS(=O)(=O)c2ccccc2Cl)cs1 ZINC000466384424 564939521 /nfs/dbraw/zinc/93/95/21/564939521.db2.gz SWHRAAJEWQKPJH-UHFFFAOYSA-N 0 3 389.886 2.768 20 5 GFBDHN C[C@]1(CO)CCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037953 565016295 /nfs/dbraw/zinc/01/62/95/565016295.db2.gz FTHDXAFGFNIFOA-UONOGXRCSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000585698995 565105574 /nfs/dbraw/zinc/10/55/74/565105574.db2.gz ZDADYKDSCIPLHN-GFCCVEGCSA-N 0 3 382.258 2.880 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000590165267 565179840 /nfs/dbraw/zinc/17/98/40/565179840.db2.gz BDVIYLUXVPYWHB-MRXNPFEDSA-N 0 3 387.889 2.663 20 5 GFBDHN COCCN1CCC[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535613 565853966 /nfs/dbraw/zinc/85/39/66/565853966.db2.gz QRLTYNHCRJXYBF-SNVBAGLBSA-N 0 3 378.292 2.619 20 5 GFBDHN CN1CCN(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1(C)C ZINC000602658345 565861376 /nfs/dbraw/zinc/86/13/76/565861376.db2.gz UWJCZDTWDGKZNB-UHFFFAOYSA-N 0 3 391.335 2.534 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267832 598869797 /nfs/dbraw/zinc/86/97/97/598869797.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267832 598869798 /nfs/dbraw/zinc/86/97/98/598869798.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267832 598869799 /nfs/dbraw/zinc/86/97/99/598869799.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267832 598869800 /nfs/dbraw/zinc/86/98/00/598869800.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373371 598503089 /nfs/dbraw/zinc/50/30/89/598503089.db2.gz BCEUVXMVUVPGIJ-UHFFFAOYSA-N 0 3 380.412 2.552 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373371 598503091 /nfs/dbraw/zinc/50/30/91/598503091.db2.gz BCEUVXMVUVPGIJ-UHFFFAOYSA-N 0 3 380.412 2.552 20 5 GFBDHN C[NH+](C)CC1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825859220 607542579 /nfs/dbraw/zinc/54/25/79/607542579.db2.gz DTWALQWRLIPRHQ-UHFFFAOYSA-N 0 3 396.455 2.855 20 5 GFBDHN C[NH+](C)CC1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825859220 607542580 /nfs/dbraw/zinc/54/25/80/607542580.db2.gz DTWALQWRLIPRHQ-UHFFFAOYSA-N 0 3 396.455 2.855 20 5 GFBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580997 606473753 /nfs/dbraw/zinc/47/37/53/606473753.db2.gz AQSTZKOOXZLYKD-NEPJUHHUSA-N 0 3 382.428 2.608 20 5 GFBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580997 606473755 /nfs/dbraw/zinc/47/37/55/606473755.db2.gz AQSTZKOOXZLYKD-NEPJUHHUSA-N 0 3 382.428 2.608 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820227098 607012241 /nfs/dbraw/zinc/01/22/41/607012241.db2.gz YIRPBNOQBXFRIH-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820227098 607012243 /nfs/dbraw/zinc/01/22/43/607012243.db2.gz YIRPBNOQBXFRIH-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225583 607083643 /nfs/dbraw/zinc/08/36/43/607083643.db2.gz LZJRMNSGLGDVOL-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225583 607083645 /nfs/dbraw/zinc/08/36/45/607083645.db2.gz LZJRMNSGLGDVOL-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825147578 608552204 /nfs/dbraw/zinc/55/22/04/608552204.db2.gz JZPHRZBLFUFAMZ-MRXNPFEDSA-N 0 3 396.407 2.802 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262503 660252521 /nfs/dbraw/zinc/25/25/21/660252521.db2.gz NHFAFULOJRDGPF-GXFFZTMASA-N 0 3 387.223 2.572 20 5 GFBDHN CC1CC[NH+](CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000030008845 654581825 /nfs/dbraw/zinc/58/18/25/654581825.db2.gz FQEWIGYXROAYHR-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN O=[N+]([O-])c1cccc(CN2CCC(CN3CCOCC3)CC2)c1Br ZINC000839464943 661085635 /nfs/dbraw/zinc/08/56/35/661085635.db2.gz JUGRVXBRGWKVMS-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN CCNS(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000772980385 656396387 /nfs/dbraw/zinc/39/63/87/656396387.db2.gz WKHAEQIEOGPNST-GFCCVEGCSA-N 0 3 383.495 2.913 20 5 GFBDHN CC(COC(=O)C1(c2ccc(I)cc2)CC1)[N+](=O)[O-] ZINC000813105317 660043887 /nfs/dbraw/zinc/04/38/87/660043887.db2.gz LTWBGPIZVPTXLC-SECBINFHSA-N 0 3 375.162 2.531 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841573673 661305554 /nfs/dbraw/zinc/30/55/54/661305554.db2.gz BQCDSJDVVQOABM-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN CC([C@H](OC(=O)c1cc(Br)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883303 661503698 /nfs/dbraw/zinc/50/36/98/661503698.db2.gz RRERVOASMPYWAE-OQPBUACISA-N 0 3 386.177 2.885 20 5 GFBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812925 662579460 /nfs/dbraw/zinc/57/94/60/662579460.db2.gz OAMZNBYNZVCNSW-JOYOIKCWSA-N 0 3 394.280 2.616 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767630 663041122 /nfs/dbraw/zinc/04/11/22/663041122.db2.gz VHXQHMOUVZXGAU-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762113 721115326 /nfs/dbraw/zinc/11/53/26/721115326.db2.gz BYAMSYIXXAHPNX-IRXDYDNUSA-N 0 3 392.463 2.835 20 5 GFBDHN CC1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120389383 551220455 /nfs/dbraw/zinc/22/04/55/551220455.db2.gz BJRGAYJFQXXKEU-UHFFFAOYSA-N 0 3 384.274 2.748 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122469217 551298383 /nfs/dbraw/zinc/29/83/83/551298383.db2.gz QAUUARFCVBDKAR-DOMZBBRYSA-N 0 3 387.889 2.661 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000126402481 551329037 /nfs/dbraw/zinc/32/90/37/551329037.db2.gz KKDIUEYSAMNLBB-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000162100289 551603450 /nfs/dbraw/zinc/60/34/50/551603450.db2.gz UNQHFCPODGCWIT-GFCCVEGCSA-N 0 3 383.495 2.902 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188265076 552440651 /nfs/dbraw/zinc/44/06/51/552440651.db2.gz PMFUUMJGDQIVII-UHFFFAOYSA-N 0 3 375.878 2.745 20 5 GFBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000295253893 563238659 /nfs/dbraw/zinc/23/86/59/563238659.db2.gz FINTZLBHMMICOH-NSHDSACASA-N 0 3 382.258 2.914 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCN1C ZINC000421001885 563293366 /nfs/dbraw/zinc/29/33/66/563293366.db2.gz QCMXSXIZDUJNCD-ZDUSSCGKSA-N 0 3 389.237 2.725 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180474 563331075 /nfs/dbraw/zinc/33/10/75/563331075.db2.gz USGDAPCDLOTMPR-YGRLFVJLSA-N 0 3 383.246 2.915 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298881769 563369479 /nfs/dbraw/zinc/36/94/79/563369479.db2.gz ZQVBDUUEOUYBLU-UHFFFAOYSA-N 0 3 375.878 2.742 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299206153 563377745 /nfs/dbraw/zinc/37/77/45/563377745.db2.gz JOHMKUFLNLAOBR-UHFFFAOYSA-N 0 3 375.878 2.742 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059519 563388515 /nfs/dbraw/zinc/38/85/15/563388515.db2.gz JTTUSMAALMNYNX-NHYWBVRUSA-N 0 3 382.258 2.832 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330557336 563511149 /nfs/dbraw/zinc/51/11/49/563511149.db2.gz WPQXDJKUTYMXMW-QWHCGFSZSA-N 0 3 377.388 2.731 20 5 GFBDHN Cc1c(NC(=O)N[C@@H]2CNCCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415648434 563790163 /nfs/dbraw/zinc/79/01/63/563790163.db2.gz BXCMEXQFJTZCFX-LLVKDONJSA-N 0 3 393.188 2.784 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H](CO)C2CCCC2)c1 ZINC000515096412 564469789 /nfs/dbraw/zinc/46/97/89/564469789.db2.gz KAXMLYZOIMXWGT-CQSZACIVSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000517870013 564543264 /nfs/dbraw/zinc/54/32/64/564543264.db2.gz QSNJPERJPAZLPR-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCO[C@@H]21 ZINC000519079597 564569564 /nfs/dbraw/zinc/56/95/64/564569564.db2.gz PCTQICAEAOXHIT-VQISRLSMSA-N 0 3 398.257 2.699 20 5 GFBDHN CO[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000559335292 564930825 /nfs/dbraw/zinc/93/08/25/564930825.db2.gz SBGHUJSARKBRFM-ZDUSSCGKSA-N 0 3 376.194 2.714 20 5 GFBDHN CCN1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000561398142 564993957 /nfs/dbraw/zinc/99/39/57/564993957.db2.gz PZIHOLSOCBDHMR-UHFFFAOYSA-N 0 3 389.237 2.727 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Br)cc2)c1 ZINC000584715035 565093765 /nfs/dbraw/zinc/09/37/65/565093765.db2.gz BYYCNJCPLDROOK-OAHLLOKOSA-N 0 3 381.226 2.887 20 5 GFBDHN CN1CCN(CC2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000596087942 565513015 /nfs/dbraw/zinc/51/30/15/565513015.db2.gz LQTAERJGNLGPMV-UHFFFAOYSA-N 0 3 397.317 2.821 20 5 GFBDHN NCc1cccc2c1N(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000599101012 565657223 /nfs/dbraw/zinc/65/72/23/565657223.db2.gz GNBFHWYYRZLVIO-UHFFFAOYSA-N 0 3 381.841 2.848 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599413546 565677055 /nfs/dbraw/zinc/67/70/55/565677055.db2.gz ZTQSZEISDLVIRS-LBPRGKRZSA-N 0 3 375.878 2.567 20 5 GFBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610668437 566092985 /nfs/dbraw/zinc/09/29/85/566092985.db2.gz FGXGDVPTZVINJA-CYBMUJFWSA-N 0 3 384.274 2.890 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477824 /nfs/dbraw/zinc/47/78/24/599477824.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477826 /nfs/dbraw/zinc/47/78/26/599477826.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477827 /nfs/dbraw/zinc/47/78/27/599477827.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477829 /nfs/dbraw/zinc/47/78/29/599477829.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 0 3 396.455 2.855 20 5 GFBDHN CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399413 607553265 /nfs/dbraw/zinc/55/32/65/607553265.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399413 607553267 /nfs/dbraw/zinc/55/32/67/607553267.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399413 607553268 /nfs/dbraw/zinc/55/32/68/607553268.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399413 607553270 /nfs/dbraw/zinc/55/32/70/607553270.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 0 3 382.424 2.891 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619390 606044476 /nfs/dbraw/zinc/04/44/76/606044476.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619390 606044480 /nfs/dbraw/zinc/04/44/80/606044480.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619390 606044483 /nfs/dbraw/zinc/04/44/83/606044483.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619390 606044488 /nfs/dbraw/zinc/04/44/88/606044488.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808804 /nfs/dbraw/zinc/80/88/04/606808804.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808806 /nfs/dbraw/zinc/80/88/06/606808806.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808807 /nfs/dbraw/zinc/80/88/07/606808807.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808809 /nfs/dbraw/zinc/80/88/09/606808809.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820120812 606857246 /nfs/dbraw/zinc/85/72/46/606857246.db2.gz KDHJYMBUZQAILD-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820120812 606857247 /nfs/dbraw/zinc/85/72/47/606857247.db2.gz KDHJYMBUZQAILD-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668774 606875635 /nfs/dbraw/zinc/87/56/35/606875635.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668774 606875636 /nfs/dbraw/zinc/87/56/36/606875636.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668774 606875638 /nfs/dbraw/zinc/87/56/38/606875638.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668774 606875641 /nfs/dbraw/zinc/87/56/41/606875641.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 0 3 379.424 2.850 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826500118 608280816 /nfs/dbraw/zinc/28/08/16/608280816.db2.gz LXAUTAOUKVWXKD-GOSISDBHSA-N 0 3 394.435 2.765 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826500118 608280817 /nfs/dbraw/zinc/28/08/17/608280817.db2.gz LXAUTAOUKVWXKD-GOSISDBHSA-N 0 3 394.435 2.765 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826241830 608467056 /nfs/dbraw/zinc/46/70/56/608467056.db2.gz QKTCLRGJNJQVGW-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826241830 608467057 /nfs/dbraw/zinc/46/70/57/608467057.db2.gz QKTCLRGJNJQVGW-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN CC[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825140507 608551961 /nfs/dbraw/zinc/55/19/61/608551961.db2.gz KFABDHBOCFPWCO-QGZVFWFLSA-N 0 3 395.423 2.844 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000124938048 654783947 /nfs/dbraw/zinc/78/39/47/654783947.db2.gz KQPQDKRUSDXKQO-OCCSQVGLSA-N 0 3 387.889 2.661 20 5 GFBDHN COC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000117946612 655270586 /nfs/dbraw/zinc/27/05/86/655270586.db2.gz LPTNOYFTWFITMF-LLVKDONJSA-N 0 3 385.214 2.714 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247979586 655432190 /nfs/dbraw/zinc/43/21/90/655432190.db2.gz MCCPMQUZFCFCMM-GXTWGEPZSA-N 0 3 387.889 2.661 20 5 GFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000808355978 659892410 /nfs/dbraw/zinc/89/24/10/659892410.db2.gz RBWZFEUABUCJSN-LBPRGKRZSA-N 0 3 377.894 2.955 20 5 GFBDHN CC([C@@H](OC(=O)c1nn(C)cc1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845876331 661502917 /nfs/dbraw/zinc/50/29/17/661502917.db2.gz CFHKDEBBACKCRU-ISVAXAHUSA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(Br)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883301 661503751 /nfs/dbraw/zinc/50/37/51/661503751.db2.gz RRERVOASMPYWAE-AMIZOPFISA-N 0 3 386.177 2.885 20 5 GFBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000866212212 662464607 /nfs/dbraw/zinc/46/46/07/662464607.db2.gz FBGQCWTZLPBRGL-UHFFFAOYSA-N 0 3 383.290 2.574 20 5 GFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836277 662837897 /nfs/dbraw/zinc/83/78/97/662837897.db2.gz DYOLIJLWYQLEGV-LSDHHAIUSA-N 0 3 382.258 2.595 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)Cc2ccoc2)cc1Br ZINC000895586398 663519904 /nfs/dbraw/zinc/51/99/04/663519904.db2.gz VONSQOGUWYDIGL-JTQLQIEISA-N 0 3 375.244 2.953 20 5 GFBDHN COC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000895858519 663530634 /nfs/dbraw/zinc/53/06/34/663530634.db2.gz KALIROBWBADZKH-SKDRFNHKSA-N 0 3 379.276 2.950 20 5 GFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000935368875 664957167 /nfs/dbraw/zinc/95/71/67/664957167.db2.gz UZMHKUOHDBOCAL-GOEBONIOSA-N 0 3 381.523 2.969 20 5 GFBDHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014651393 207026214 /nfs/dbraw/zinc/02/62/14/207026214.db2.gz UCSZGQCYTBIKFE-UHFFFAOYSA-N 0 3 381.436 2.961 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCCn2ccnc2)c1 ZINC000290079075 563697555 /nfs/dbraw/zinc/69/75/55/563697555.db2.gz YUYUFMDTVCHZLE-UHFFFAOYSA-N 0 3 386.193 2.576 20 5 GFBDHN CCCC[NH+]1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068903316 551193924 /nfs/dbraw/zinc/19/39/24/551193924.db2.gz CUHNURJPTCRYFP-UHFFFAOYSA-N 0 3 375.878 2.791 20 5 GFBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124458044 551314834 /nfs/dbraw/zinc/31/48/34/551314834.db2.gz FWWSTSJNDMGLFB-CYBMUJFWSA-N 0 3 383.392 2.655 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000176693585 552144282 /nfs/dbraw/zinc/14/42/82/552144282.db2.gz BKJKLWOVGDCHPI-UHFFFAOYSA-N 0 3 375.878 2.519 20 5 GFBDHN CCc1ccc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180942517 552240679 /nfs/dbraw/zinc/24/06/79/552240679.db2.gz XUEGIQYOAXCGQL-LBPRGKRZSA-N 0 3 383.495 2.848 20 5 GFBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000236608468 553069777 /nfs/dbraw/zinc/06/97/77/553069777.db2.gz BXWITIJCIWMYCH-UHFFFAOYSA-N 0 3 378.226 2.877 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248549056 553131141 /nfs/dbraw/zinc/13/11/41/553131141.db2.gz KAHJCRWYJUUFGU-QWHCGFSZSA-N 0 3 387.889 2.661 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059520 563388630 /nfs/dbraw/zinc/38/86/30/563388630.db2.gz JTTUSMAALMNYNX-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412583 563402821 /nfs/dbraw/zinc/40/28/21/563402821.db2.gz ZCEJLGVOXNNSCB-CQSZACIVSA-N 0 3 383.290 2.574 20 5 GFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301860778 563413931 /nfs/dbraw/zinc/41/39/31/563413931.db2.gz TVAOWBLYYOWEBG-CQSZACIVSA-N 0 3 399.289 2.834 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(Cl)c1 ZINC000408012140 563541415 /nfs/dbraw/zinc/54/14/15/563541415.db2.gz AJSRIOSAXYXHFP-UHFFFAOYSA-N 0 3 387.889 2.887 20 5 GFBDHN CSc1cccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084188 563574985 /nfs/dbraw/zinc/57/49/85/563574985.db2.gz PLWUWOAAVUQCRB-UKRRQHHQSA-N 0 3 381.523 2.969 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CNCCO3)o2)c(Br)c1 ZINC000415093123 563758711 /nfs/dbraw/zinc/75/87/11/563758711.db2.gz HNMRUPKRKIPBMK-CYBMUJFWSA-N 0 3 396.241 2.695 20 5 GFBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378456 563840491 /nfs/dbraw/zinc/84/04/91/563840491.db2.gz ZVWFUNKZVFALCV-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN CN1CCC2(CCCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369174591 563888925 /nfs/dbraw/zinc/88/89/25/563888925.db2.gz PRJZREVZWACIHS-UHFFFAOYSA-N 0 3 387.889 2.745 20 5 GFBDHN CC[C@@H](O)[C@H](CC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647881 564193525 /nfs/dbraw/zinc/19/35/25/564193525.db2.gz PYURKCWPSXJWFN-QWHCGFSZSA-N 0 3 378.210 2.839 20 5 GFBDHN O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)cc1 ZINC000449770272 564202143 /nfs/dbraw/zinc/20/21/43/564202143.db2.gz WJPDHPQUPWMKLP-UHFFFAOYSA-N 0 3 393.241 2.623 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1csc(Br)c1 ZINC000582569763 564852602 /nfs/dbraw/zinc/85/26/02/564852602.db2.gz VOEIMZJEBOJEJL-LLVKDONJSA-N 0 3 387.255 2.948 20 5 GFBDHN CC(C)[C@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071497 565017011 /nfs/dbraw/zinc/01/70/11/565017011.db2.gz BRIJTPWLLHZHHP-CYBMUJFWSA-N 0 3 378.210 2.696 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135165 566068435 /nfs/dbraw/zinc/06/84/35/566068435.db2.gz LWFGSBSDSAUNPN-DGCLKSJQSA-N 0 3 375.878 2.742 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369587 598674085 /nfs/dbraw/zinc/67/40/85/598674085.db2.gz JPZXJUHNSQFYQQ-HNNXBMFYSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369587 598674086 /nfs/dbraw/zinc/67/40/86/598674086.db2.gz JPZXJUHNSQFYQQ-HNNXBMFYSA-N 0 3 385.472 2.867 20 5 GFBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543719 /nfs/dbraw/zinc/54/37/19/599543719.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543721 /nfs/dbraw/zinc/54/37/21/599543721.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543723 /nfs/dbraw/zinc/54/37/23/599543723.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543725 /nfs/dbraw/zinc/54/37/25/599543725.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 0 3 396.455 2.998 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281438 654773714 /nfs/dbraw/zinc/77/37/14/654773714.db2.gz HDRVBFUKZFIOTJ-TZMCWYRMSA-N 0 3 389.905 2.907 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000273558377 655148246 /nfs/dbraw/zinc/14/82/46/655148246.db2.gz XSAXZJAYIPQUCH-LBPRGKRZSA-N 0 3 389.905 2.907 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000179125798 655311765 /nfs/dbraw/zinc/31/17/65/655311765.db2.gz GHVROVJWEKZQER-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289245420 655344891 /nfs/dbraw/zinc/34/48/91/655344891.db2.gz WSHYEXPQQKUHLA-SECBINFHSA-N 0 3 382.269 2.616 20 5 GFBDHN C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000783724977 657254799 /nfs/dbraw/zinc/25/47/99/657254799.db2.gz ZNAURHWSHYVKRX-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC000809807017 659939843 /nfs/dbraw/zinc/93/98/43/659939843.db2.gz ZKEGCZSVDMJQBV-UHFFFAOYSA-N 0 3 382.269 2.666 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809445 659940618 /nfs/dbraw/zinc/94/06/18/659940618.db2.gz XZCAIRDUTPZTLI-VXGBXAGGSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809445 659940620 /nfs/dbraw/zinc/94/06/20/659940620.db2.gz XZCAIRDUTPZTLI-VXGBXAGGSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCOC2CCC2)c1 ZINC000810148089 659964694 /nfs/dbraw/zinc/96/46/94/659964694.db2.gz VLBLZNWDTXBVCT-UHFFFAOYSA-N 0 3 376.194 2.858 20 5 GFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869226633 662636308 /nfs/dbraw/zinc/63/63/08/662636308.db2.gz YBNHDVMVVUAADG-LBPRGKRZSA-N 0 3 384.274 2.889 20 5 GFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447594 663558102 /nfs/dbraw/zinc/55/81/02/663558102.db2.gz ZAHGCVZNDKSQNA-KBPBESRZSA-N 0 3 397.273 2.735 20 5 GFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721785 720373978 /nfs/dbraw/zinc/37/39/78/720373978.db2.gz BAPLPAKWXOVEEU-RBUKOAKNSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870906 721046576 /nfs/dbraw/zinc/04/65/76/721046576.db2.gz XJQMUJCVHAOPOA-JKSUJKDBSA-N 0 3 389.843 2.518 20 5 GFBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151738461 551420600 /nfs/dbraw/zinc/42/06/00/551420600.db2.gz NFWRHEYBNIDKAD-AWEZNQCLSA-N 0 3 384.274 2.843 20 5 GFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003295 551444920 /nfs/dbraw/zinc/44/49/20/551444920.db2.gz OOKSFJCNZQZLQK-NHYWBVRUSA-N 0 3 384.274 2.698 20 5 GFBDHN NC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150856 551533967 /nfs/dbraw/zinc/53/39/67/551533967.db2.gz IJDMSVVSYSBXHI-SNVBAGLBSA-N 0 3 394.225 2.925 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723428 552144477 /nfs/dbraw/zinc/14/44/77/552144477.db2.gz XZRIIYLNVKRJHP-AAEUAGOBSA-N 0 3 375.878 2.517 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000180161434 552215417 /nfs/dbraw/zinc/21/54/17/552215417.db2.gz KAHJCRWYJUUFGU-OLZOCXBDSA-N 0 3 387.889 2.661 20 5 GFBDHN COCCN1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182388466 552282638 /nfs/dbraw/zinc/28/26/38/552282638.db2.gz LQISRBVHZXRDIO-UHFFFAOYSA-N 0 3 387.889 2.567 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000193429556 552992888 /nfs/dbraw/zinc/99/28/88/552992888.db2.gz XFGDLSNINKSSAO-UHFFFAOYSA-N 0 3 381.841 2.638 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508477 553109073 /nfs/dbraw/zinc/10/90/73/553109073.db2.gz YBNYBUMOSVYPBE-SMDDNHRTSA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000425466087 563424054 /nfs/dbraw/zinc/42/40/54/563424054.db2.gz AXECEFZFEMJHCK-HOTGVXAUSA-N 0 3 385.258 2.767 20 5 GFBDHN Cc1c(Br)cc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000294176270 563833252 /nfs/dbraw/zinc/83/32/52/563833252.db2.gz SVMPUOHDCPXJJX-UHFFFAOYSA-N 0 3 396.245 2.676 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCn3ccnc3C2)c1 ZINC000564497021 564235384 /nfs/dbraw/zinc/23/53/84/564235384.db2.gz OPPGKQWLTJELHG-GFCCVEGCSA-N 0 3 398.204 2.501 20 5 GFBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000541386407 564276995 /nfs/dbraw/zinc/27/69/95/564276995.db2.gz JXZDARDDHPTYAF-LBPRGKRZSA-N 0 3 375.878 2.791 20 5 GFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148554 564360424 /nfs/dbraw/zinc/36/04/24/564360424.db2.gz ZBJQFHMNLGAYCO-CHWSQXEVSA-N 0 3 389.905 2.895 20 5 GFBDHN C[C@@H]1[C@@H](C)N(Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000554934870 564778482 /nfs/dbraw/zinc/77/84/82/564778482.db2.gz KVCQRMUKOYMJAO-GHMZBOCLSA-N 0 3 389.237 2.724 20 5 GFBDHN Cc1cc(Cl)ccc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463741277 564889312 /nfs/dbraw/zinc/88/93/12/564889312.db2.gz ZIEPTUDQJCWXNM-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CC(C)[C@@H](CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584689919 565091549 /nfs/dbraw/zinc/09/15/49/565091549.db2.gz LYVKWNBAPIORRA-LLVKDONJSA-N 0 3 378.210 2.554 20 5 GFBDHN CSC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN(C)CC1 ZINC000597092551 565551301 /nfs/dbraw/zinc/55/13/01/565551301.db2.gz NLELMPFFVFFOJL-UHFFFAOYSA-N 0 3 387.893 2.779 20 5 GFBDHN CN1CCC[C@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974770 565709485 /nfs/dbraw/zinc/70/94/85/565709485.db2.gz FULHRNQVFOYYHT-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN CCN1CCN([C@@H](C)CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602515902 565852695 /nfs/dbraw/zinc/85/26/95/565852695.db2.gz SXGPDZOJLDCUCG-NSHDSACASA-N 0 3 391.335 2.534 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@@H](CCO)C2CCOCC2)cc1Br ZINC000602616070 565858530 /nfs/dbraw/zinc/85/85/30/565858530.db2.gz HEJMLYMKKXGDFZ-LBPRGKRZSA-N 0 3 379.276 2.686 20 5 GFBDHN CC(C)C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769056 599263518 /nfs/dbraw/zinc/26/35/18/599263518.db2.gz FQQWPPAORROGOV-ZDUSSCGKSA-N 0 3 384.444 2.711 20 5 GFBDHN CC(C)C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769056 599263520 /nfs/dbraw/zinc/26/35/20/599263520.db2.gz FQQWPPAORROGOV-ZDUSSCGKSA-N 0 3 384.444 2.711 20 5 GFBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698252 599543992 /nfs/dbraw/zinc/54/39/92/599543992.db2.gz RUBQDMCGGMLTTR-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698252 599543993 /nfs/dbraw/zinc/54/39/93/599543993.db2.gz RUBQDMCGGMLTTR-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820728545 606138805 /nfs/dbraw/zinc/13/88/05/606138805.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820728545 606138807 /nfs/dbraw/zinc/13/88/07/606138807.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820728545 606138808 /nfs/dbraw/zinc/13/88/08/606138808.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820728545 606138810 /nfs/dbraw/zinc/13/88/10/606138810.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN O=[N+]([O-])c1ccc(CN(CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498480 608173360 /nfs/dbraw/zinc/17/33/60/608173360.db2.gz WRTZRFFTUHWYNF-UHFFFAOYSA-N 0 3 380.408 2.818 20 5 GFBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125480557 654796035 /nfs/dbraw/zinc/79/60/35/654796035.db2.gz DOOSEMYZKNRSEC-GFCCVEGCSA-N 0 3 375.878 2.661 20 5 GFBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674373 661099547 /nfs/dbraw/zinc/09/95/47/661099547.db2.gz NXEITLGRVNNQHD-UHFFFAOYSA-N 0 3 386.290 2.900 20 5 GFBDHN CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809810593 659940664 /nfs/dbraw/zinc/94/06/64/659940664.db2.gz DWRGQHGOZVAYHZ-UHFFFAOYSA-N 0 3 396.296 2.912 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820035 659942703 /nfs/dbraw/zinc/94/27/03/659942703.db2.gz LESHDNDHRMZOCH-QWRGUYRKSA-N 0 3 393.868 2.881 20 5 GFBDHN CC(COC(=O)C1(c2ccc(I)cc2)CC1)[N+](=O)[O-] ZINC000813105319 660043860 /nfs/dbraw/zinc/04/38/60/660043860.db2.gz LTWBGPIZVPTXLC-VIFPVBQESA-N 0 3 375.162 2.531 20 5 GFBDHN C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000867307370 662541125 /nfs/dbraw/zinc/54/11/25/662541125.db2.gz ZCIWIZLXTIXFDW-NSHDSACASA-N 0 3 382.258 2.666 20 5 GFBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867864606 662584031 /nfs/dbraw/zinc/58/40/31/662584031.db2.gz GEMODBNPNKKMEA-UHFFFAOYSA-N 0 3 375.516 2.645 20 5 GFBDHN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](N2CC=CC2)C1 ZINC000889726080 663260973 /nfs/dbraw/zinc/26/09/73/663260973.db2.gz NQQPAJGRTMKJIW-AWEZNQCLSA-N 0 3 395.257 2.513 20 5 GFBDHN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN2CCC1CC2 ZINC000892781202 663384366 /nfs/dbraw/zinc/38/43/66/663384366.db2.gz YRCGGPIGQPBPNR-MRXNPFEDSA-N 0 3 382.258 2.500 20 5 GFBDHN CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000896447573 663558071 /nfs/dbraw/zinc/55/80/71/663558071.db2.gz YHTQINUPDJIMNF-CYBMUJFWSA-N 0 3 385.262 2.593 20 5 GFBDHN O=[N+]([O-])c1ccc(Br)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000929775052 664757661 /nfs/dbraw/zinc/75/76/61/664757661.db2.gz YLSJAZNJEFOGOK-UHFFFAOYSA-N 0 3 384.274 2.654 20 5 GFBDHN C[C@@](CO)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495595 664908888 /nfs/dbraw/zinc/90/88/88/664908888.db2.gz FBXRCXVOIWRQLW-SJORKVTESA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870905 721047030 /nfs/dbraw/zinc/04/70/30/721047030.db2.gz XJQMUJCVHAOPOA-HZPDHXFCSA-N 0 3 389.843 2.518 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000124278904 551313056 /nfs/dbraw/zinc/31/30/56/551313056.db2.gz GGLWSJWPNOERTI-WCQYABFASA-N 0 3 375.878 2.517 20 5 GFBDHN O=[N+]([O-])c1cc(CN2CCN(C3CCOCC3)CC2)ccc1Br ZINC000129743978 551359762 /nfs/dbraw/zinc/35/97/62/551359762.db2.gz UCRFDEWCZIIJED-UHFFFAOYSA-N 0 3 384.274 2.654 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853709 551441226 /nfs/dbraw/zinc/44/12/26/551441226.db2.gz ZYMQJWXJUVZSRI-JSGCOSHPSA-N 0 3 387.889 2.661 20 5 GFBDHN CC(C)CS(=O)(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000181118900 552247665 /nfs/dbraw/zinc/24/76/65/552247665.db2.gz ARMLVSKPNDZHQY-UHFFFAOYSA-N 0 3 389.905 2.788 20 5 GFBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000331940318 563568320 /nfs/dbraw/zinc/56/83/20/563568320.db2.gz MVTXYOFZWCBLRP-JKSUJKDBSA-N 0 3 383.901 2.829 20 5 GFBDHN CSc1cccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084189 563575043 /nfs/dbraw/zinc/57/50/43/563575043.db2.gz PLWUWOAAVUQCRB-ZFWWWQNUSA-N 0 3 381.523 2.969 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCCn2cccn2)c1 ZINC000289716581 563684066 /nfs/dbraw/zinc/68/40/66/563684066.db2.gz CPQGCRUHKYIZNK-UHFFFAOYSA-N 0 3 386.193 2.576 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC[C@H](CO)C2)c1 ZINC000414589949 563747710 /nfs/dbraw/zinc/74/77/10/563747710.db2.gz XIICQOOGIRGVQG-GXFFZTMASA-N 0 3 390.221 2.840 20 5 GFBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291989145 563768419 /nfs/dbraw/zinc/76/84/19/563768419.db2.gz RUCXEEIGTSQFQQ-UHFFFAOYSA-N 0 3 389.283 2.611 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000292741994 563794419 /nfs/dbraw/zinc/79/44/19/563794419.db2.gz HJBYKSZSRKQYEP-INIZCTEOSA-N 0 3 387.889 2.663 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCSC1 ZINC000293266267 563806118 /nfs/dbraw/zinc/80/61/18/563806118.db2.gz QHQNWZMAUNCUGM-AWEZNQCLSA-N 0 3 377.388 2.781 20 5 GFBDHN CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000542768384 564325559 /nfs/dbraw/zinc/32/55/59/564325559.db2.gz CQZAKDXVKQFJKX-JKSUJKDBSA-N 0 3 381.523 2.725 20 5 GFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000480357545 564469208 /nfs/dbraw/zinc/46/92/08/564469208.db2.gz PMRUQFOBZOGFNM-BZNIZROVSA-N 0 3 387.889 2.569 20 5 GFBDHN CS(=O)(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531698 564642506 /nfs/dbraw/zinc/64/25/06/564642506.db2.gz ONDJRUUNSDQUDN-STQMWFEESA-N 0 3 384.483 2.530 20 5 GFBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000490533781 564775897 /nfs/dbraw/zinc/77/58/97/564775897.db2.gz GTYUCPKJISXADA-AWEZNQCLSA-N 0 3 394.280 2.618 20 5 GFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236452 564801023 /nfs/dbraw/zinc/80/10/23/564801023.db2.gz GXWZVXUVYIRFKI-OAHLLOKOSA-N 0 3 399.289 2.712 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467416866 564962527 /nfs/dbraw/zinc/96/25/27/564962527.db2.gz CNDZIBWYDUGCCQ-UHFFFAOYSA-N 0 3 383.495 2.765 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467416866 564962530 /nfs/dbraw/zinc/96/25/30/564962530.db2.gz CNDZIBWYDUGCCQ-UHFFFAOYSA-N 0 3 383.495 2.765 20 5 GFBDHN CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000589256983 565157025 /nfs/dbraw/zinc/15/70/25/565157025.db2.gz AIIRHTHGTMWQAD-LLVKDONJSA-N 0 3 389.237 2.725 20 5 GFBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737321203 598246911 /nfs/dbraw/zinc/24/69/11/598246911.db2.gz ZLRPTWSSFILLHU-INIZCTEOSA-N 0 3 383.412 2.925 20 5 GFBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+]2CCCC2)o1 ZINC000737321203 598246912 /nfs/dbraw/zinc/24/69/12/598246912.db2.gz ZLRPTWSSFILLHU-INIZCTEOSA-N 0 3 383.412 2.925 20 5 GFBDHN O=[N+]([O-])c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826498463 608570690 /nfs/dbraw/zinc/57/06/90/608570690.db2.gz VZLRZQHUNNTDGA-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN O=[N+]([O-])c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826498463 608570691 /nfs/dbraw/zinc/57/06/91/608570691.db2.gz VZLRZQHUNNTDGA-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529557 660661539 /nfs/dbraw/zinc/66/15/39/660661539.db2.gz LNDMAJDASMBWJR-JTQLQIEISA-N 0 3 396.296 2.864 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000124131619 654771464 /nfs/dbraw/zinc/77/14/64/654771464.db2.gz LYCXBUGZQUXANW-LBPRGKRZSA-N 0 3 375.878 2.519 20 5 GFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215918 654963742 /nfs/dbraw/zinc/96/37/42/654963742.db2.gz PJOKYCNRTUZCDI-QPUJVOFHSA-N 0 3 386.221 2.709 20 5 GFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000273147732 655132150 /nfs/dbraw/zinc/13/21/50/655132150.db2.gz WJOFMIABSDOBIJ-CVEARBPZSA-N 0 3 381.226 2.714 20 5 GFBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173993961 655188949 /nfs/dbraw/zinc/18/89/49/655188949.db2.gz MXNVVMGPDXVCIB-LBPRGKRZSA-N 0 3 375.878 2.661 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763618934 656088482 /nfs/dbraw/zinc/08/84/82/656088482.db2.gz JNDPMTUDXOGYPT-UHFFFAOYSA-N 0 3 377.894 2.991 20 5 GFBDHN CS(=O)(=O)c1ccc(OCCNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783620445 657247589 /nfs/dbraw/zinc/24/75/89/657247589.db2.gz OPHVVOHKQBYGSS-UHFFFAOYSA-N 0 3 384.841 2.820 20 5 GFBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000798224342 659083847 /nfs/dbraw/zinc/08/38/47/659083847.db2.gz JMVDMXQOAKBIFF-UHFFFAOYSA-N 0 3 384.285 2.912 20 5 GFBDHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813539 659941039 /nfs/dbraw/zinc/94/10/39/659941039.db2.gz ZKEWMAFNPWXHFX-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813539 659941042 /nfs/dbraw/zinc/94/10/42/659941042.db2.gz ZKEWMAFNPWXHFX-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000813112181 660044232 /nfs/dbraw/zinc/04/42/32/660044232.db2.gz DCOOUYQTYQLYPB-SNVBAGLBSA-N 0 3 384.845 2.919 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000815003334 660100723 /nfs/dbraw/zinc/10/07/23/660100723.db2.gz OZBYVJZAFYQXNC-LLVKDONJSA-N 0 3 393.868 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CC4(Br)CC4)CC3)nc2c1 ZINC000846861424 661567900 /nfs/dbraw/zinc/56/79/00/661567900.db2.gz UWORUYKUSRSISP-UHFFFAOYSA-N 0 3 394.273 2.911 20 5 GFBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310486 662541311 /nfs/dbraw/zinc/54/13/11/662541311.db2.gz ZPFIEJHGXWKIOA-LDYMZIIASA-N 0 3 382.269 2.615 20 5 GFBDHN COCCN(CCN(C)C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000900586968 663717423 /nfs/dbraw/zinc/71/74/23/663717423.db2.gz JAFTYZRNPPXVDF-UHFFFAOYSA-N 0 3 382.219 2.691 20 5 GFBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000127563259 551342025 /nfs/dbraw/zinc/34/20/25/551342025.db2.gz MPFPOYJDHSPWNU-PWSUYJOCSA-N 0 3 382.258 2.641 20 5 GFBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2ccccc2Br)cc1 ZINC000131052002 551371684 /nfs/dbraw/zinc/37/16/84/551371684.db2.gz OKLHLCBUQGVAOL-AWEZNQCLSA-N 0 3 381.226 2.887 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173626841 552089363 /nfs/dbraw/zinc/08/93/63/552089363.db2.gz STZGWTJSPMEJKI-ZDUSSCGKSA-N 0 3 387.889 2.745 20 5 GFBDHN C[C@H]1CCCCN1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370519 553107277 /nfs/dbraw/zinc/10/72/77/553107277.db2.gz LQABRIXGWWFRLF-UONOGXRCSA-N 0 3 387.527 2.931 20 5 GFBDHN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295229169 563236974 /nfs/dbraw/zinc/23/69/74/563236974.db2.gz BJYJLZCGNUSSHM-NSHDSACASA-N 0 3 382.258 2.914 20 5 GFBDHN CCc1ccccc1[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457199 563263717 /nfs/dbraw/zinc/26/37/17/563263717.db2.gz HSELFQJFGXHPHF-AWEZNQCLSA-N 0 3 383.857 2.789 20 5 GFBDHN O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[C@@H](N2CCCC2)C1 ZINC000372960555 563323458 /nfs/dbraw/zinc/32/34/58/563323458.db2.gz GKJLAJDKEHMRPE-SNVBAGLBSA-N 0 3 386.221 2.807 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059515 563389009 /nfs/dbraw/zinc/38/90/09/563389009.db2.gz JTTUSMAALMNYNX-ABAIWWIYSA-N 0 3 382.258 2.832 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCC(CN2CCOCC2)CC1 ZINC000301203270 563396603 /nfs/dbraw/zinc/39/66/03/563396603.db2.gz XLMAPOPKUPDSSH-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000377966225 563492436 /nfs/dbraw/zinc/49/24/36/563492436.db2.gz YFVHYWSMPDOENB-UHFFFAOYSA-N 0 3 387.889 2.685 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416657544 563858823 /nfs/dbraw/zinc/85/88/23/563858823.db2.gz DJQRVGVZFQWOBW-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN CSC1(CNc2ncc([N+](=O)[O-])cc2Br)CCN(C)CC1 ZINC000569417544 564462827 /nfs/dbraw/zinc/46/28/27/564462827.db2.gz RJBDPNKTTOEMGE-UHFFFAOYSA-N 0 3 375.292 2.992 20 5 GFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000515522428 564481030 /nfs/dbraw/zinc/48/10/30/564481030.db2.gz CUTAIKJYRQYHGZ-CHWSQXEVSA-N 0 3 389.905 2.895 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCN(C3CC3)C2)c1 ZINC000561405442 564994112 /nfs/dbraw/zinc/99/41/12/564994112.db2.gz GWCABSUIQUCFLG-LBPRGKRZSA-N 0 3 387.221 2.526 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000584834819 565100428 /nfs/dbraw/zinc/10/04/28/565100428.db2.gz YNSMZOGZOCXXRZ-ZDUSSCGKSA-N 0 3 397.225 2.592 20 5 GFBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588987073 565147182 /nfs/dbraw/zinc/14/71/82/565147182.db2.gz XLRCTKPHJPIXAW-UHFFFAOYSA-N 0 3 383.246 2.955 20 5 GFBDHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789714 565421387 /nfs/dbraw/zinc/42/13/87/565421387.db2.gz KHFWXRLZABABMI-NSHDSACASA-N 0 3 375.878 2.647 20 5 GFBDHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789714 565421393 /nfs/dbraw/zinc/42/13/93/565421393.db2.gz KHFWXRLZABABMI-NSHDSACASA-N 0 3 375.878 2.647 20 5 GFBDHN CC1(N2CCCC2)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000601497008 565787187 /nfs/dbraw/zinc/78/71/87/565787187.db2.gz LZGARZOVGHFVER-UHFFFAOYSA-N 0 3 387.889 2.887 20 5 GFBDHN CN1CCN(C(C)(C)CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602509953 565852432 /nfs/dbraw/zinc/85/24/32/565852432.db2.gz IJXDLZHMBYJYLO-UHFFFAOYSA-N 0 3 391.335 2.534 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)Cc2ccco2)cc1Br ZINC000602568252 565854967 /nfs/dbraw/zinc/85/49/67/565854967.db2.gz KPKLXXPWDPFUAG-SECBINFHSA-N 0 3 375.244 2.953 20 5 GFBDHN O=C(NCCCNCc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC000602574131 565855014 /nfs/dbraw/zinc/85/50/14/565855014.db2.gz XLFGOGJYWUMVAY-UHFFFAOYSA-N 0 3 376.276 2.815 20 5 GFBDHN O=[N+]([O-])c1sc(CNC2CCN(c3cccnn3)CC2)cc1Br ZINC000602637312 565859776 /nfs/dbraw/zinc/85/97/76/565859776.db2.gz MGKZWGICCWOWJD-UHFFFAOYSA-N 0 3 398.286 2.967 20 5 GFBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808526 /nfs/dbraw/zinc/80/85/26/606808526.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808527 /nfs/dbraw/zinc/80/85/27/606808527.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808528 /nfs/dbraw/zinc/80/85/28/606808528.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 0 3 396.455 2.713 20 5 GFBDHN CC(C)C[N@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808529 /nfs/dbraw/zinc/80/85/29/606808529.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 0 3 396.455 2.713 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826293272 608485199 /nfs/dbraw/zinc/48/51/99/608485199.db2.gz IYHOURFNLNYXAV-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826293272 608485200 /nfs/dbraw/zinc/48/52/00/608485200.db2.gz IYHOURFNLNYXAV-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN O=[N+]([O-])c1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826499461 608570683 /nfs/dbraw/zinc/57/06/83/608570683.db2.gz JJPUPLWJPXMMTN-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN O=[N+]([O-])c1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826499461 608570686 /nfs/dbraw/zinc/57/06/86/608570686.db2.gz JJPUPLWJPXMMTN-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000819719457 660267853 /nfs/dbraw/zinc/26/78/53/660267853.db2.gz VERRORAQXXJTRZ-TVQRCGJNSA-N 0 3 386.221 2.663 20 5 GFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215921 654963777 /nfs/dbraw/zinc/96/37/77/654963777.db2.gz PJOKYCNRTUZCDI-UFBFGSQYSA-N 0 3 386.221 2.709 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272554792 655116098 /nfs/dbraw/zinc/11/60/98/655116098.db2.gz RLNYRUBWJPWSEM-LBPRGKRZSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000273525552 655146485 /nfs/dbraw/zinc/14/64/85/655146485.db2.gz PHBJGIBFXCEXBU-LLVKDONJSA-N 0 3 375.878 2.599 20 5 GFBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160743 661240163 /nfs/dbraw/zinc/24/01/63/661240163.db2.gz FWLPVLIRKNSQAK-LDYMZIIASA-N 0 3 387.234 2.592 20 5 GFBDHN C[C@H]1CCCN(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390808 659925659 /nfs/dbraw/zinc/92/56/59/659925659.db2.gz INILBVQIVOPCDO-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810091238 659961151 /nfs/dbraw/zinc/96/11/51/659961151.db2.gz LWYITAIZINPKAI-SECBINFHSA-N 0 3 384.285 2.909 20 5 GFBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810091238 659961152 /nfs/dbraw/zinc/96/11/52/659961152.db2.gz LWYITAIZINPKAI-SECBINFHSA-N 0 3 384.285 2.909 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000813114223 660044598 /nfs/dbraw/zinc/04/45/98/660044598.db2.gz NVVKGAXABRCNIU-ZANVPECISA-N 0 3 375.208 2.806 20 5 GFBDHN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546267 661295354 /nfs/dbraw/zinc/29/53/54/661295354.db2.gz KAOFEOWLODELLK-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546267 661295359 /nfs/dbraw/zinc/29/53/59/661295359.db2.gz KAOFEOWLODELLK-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN CC([C@H](OC(=O)Cn1cc(Br)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876844 661503069 /nfs/dbraw/zinc/50/30/69/661503069.db2.gz QYDHRROZNVMHLQ-XPTSAGLGSA-N 0 3 386.177 2.734 20 5 GFBDHN C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000868607104 662611786 /nfs/dbraw/zinc/61/17/86/662611786.db2.gz MKAGWQUYLNKHSF-GFCCVEGCSA-N 0 3 396.285 2.843 20 5 GFBDHN COC(=O)N1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000877519684 662877729 /nfs/dbraw/zinc/87/77/29/662877729.db2.gz UJFUHJWRBKXSNG-UHFFFAOYSA-N 0 3 392.275 2.987 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000881933064 663010265 /nfs/dbraw/zinc/01/02/65/663010265.db2.gz KFPOIHDFBHMHOZ-AAEUAGOBSA-N 0 3 375.878 2.517 20 5 GFBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991681 663536279 /nfs/dbraw/zinc/53/62/79/663536279.db2.gz YRLOKBBKJHYVRE-BDAKNGLRSA-N 0 3 392.214 2.634 20 5 GFBDHN CN1CCC(CCO)(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000901347466 663734395 /nfs/dbraw/zinc/73/43/95/663734395.db2.gz XMEBQKXHJPDZQX-UHFFFAOYSA-N 0 3 394.230 2.617 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1Cl ZINC000919277138 664510666 /nfs/dbraw/zinc/51/06/66/664510666.db2.gz MGHWVDMLWWMJDU-AWEZNQCLSA-N 0 3 378.809 2.582 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870902 721047158 /nfs/dbraw/zinc/04/71/58/721047158.db2.gz XJQMUJCVHAOPOA-CVEARBPZSA-N 0 3 389.843 2.518 20 5 GFBDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055986504 551175450 /nfs/dbraw/zinc/17/54/50/551175450.db2.gz NFBWTXNPKCHCIQ-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2ccccc2Br)cc1 ZINC000131051805 551371606 /nfs/dbraw/zinc/37/16/06/551371606.db2.gz OKLHLCBUQGVAOL-CQSZACIVSA-N 0 3 381.226 2.887 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151642770 551418824 /nfs/dbraw/zinc/41/88/24/551418824.db2.gz GOFTUDOLVNGGHF-ZDUSSCGKSA-N 0 3 387.889 2.663 20 5 GFBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000281284457 563372073 /nfs/dbraw/zinc/37/20/73/563372073.db2.gz SENGPEOJJGWPFT-UHFFFAOYSA-N 0 3 397.317 2.821 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059517 563388468 /nfs/dbraw/zinc/38/84/68/563388468.db2.gz JTTUSMAALMNYNX-IAQYHMDHSA-N 0 3 382.258 2.832 20 5 GFBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000331940310 563568368 /nfs/dbraw/zinc/56/83/68/563568368.db2.gz MVTXYOFZWCBLRP-HZPDHXFCSA-N 0 3 383.901 2.829 20 5 GFBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441227124 563756619 /nfs/dbraw/zinc/75/66/19/563756619.db2.gz GYBCAMWNRKQJBI-KBPBESRZSA-N 0 3 386.246 2.843 20 5 GFBDHN CCc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000537938216 564178361 /nfs/dbraw/zinc/17/83/61/564178361.db2.gz QVCDEXQUZDWORA-LBPRGKRZSA-N 0 3 383.495 2.848 20 5 GFBDHN C[C@@H](CC(C)(C)O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449453632 564186809 /nfs/dbraw/zinc/18/68/09/564186809.db2.gz XIIVLOVKPQEAAA-VIFPVBQESA-N 0 3 378.210 2.839 20 5 GFBDHN C[C@@H]1OCC[C@@]1(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390251 564231593 /nfs/dbraw/zinc/23/15/93/564231593.db2.gz KODPNVRVMUUZGT-TVQRCGJNSA-N 0 3 376.194 2.857 20 5 GFBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CCN(C)CC1 ZINC000510742411 564345657 /nfs/dbraw/zinc/34/56/57/564345657.db2.gz BHTBCBXCHFOTDA-NSHDSACASA-N 0 3 382.258 2.666 20 5 GFBDHN CC(C)C[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000567284004 564365010 /nfs/dbraw/zinc/36/50/10/564365010.db2.gz CGTYNWKYHRUUSV-GFCCVEGCSA-N 0 3 378.210 2.696 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(Br)c2)c1 ZINC000514668110 564453186 /nfs/dbraw/zinc/45/31/86/564453186.db2.gz TUCZWNXLPIABEK-OAHLLOKOSA-N 0 3 381.226 2.887 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H](CO)C2CCCC2)c1 ZINC000515096410 564469936 /nfs/dbraw/zinc/46/99/36/564469936.db2.gz KAXMLYZOIMXWGT-AWEZNQCLSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740215 564611997 /nfs/dbraw/zinc/61/19/97/564611997.db2.gz DUXCVKDHACVLCQ-GFCCVEGCSA-N 0 3 387.889 2.852 20 5 GFBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139873 564823249 /nfs/dbraw/zinc/82/32/49/564823249.db2.gz OULZYNCIRCRTAM-SNVBAGLBSA-N 0 3 396.296 2.864 20 5 GFBDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000495581122 564855387 /nfs/dbraw/zinc/85/53/87/564855387.db2.gz UWWXWHAOJQIENU-PSOPSSQASA-N 0 3 387.889 2.520 20 5 GFBDHN CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000495581124 564855462 /nfs/dbraw/zinc/85/54/62/564855462.db2.gz UWWXWHAOJQIENU-VZJVUDMVSA-N 0 3 387.889 2.520 20 5 GFBDHN CC[C@H](C)[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635276 564855641 /nfs/dbraw/zinc/85/56/41/564855641.db2.gz UCZSQMJREGJEET-ZANVPECISA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059671 565186924 /nfs/dbraw/zinc/18/69/24/565186924.db2.gz PTVXUPQYQVXPFT-AWEZNQCLSA-N 0 3 397.317 2.882 20 5 GFBDHN CS(=O)(=O)CCCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620538 565858400 /nfs/dbraw/zinc/85/84/00/565858400.db2.gz LNOWGKDEKQMIKH-UHFFFAOYSA-N 0 3 385.305 2.723 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705977 599473631 /nfs/dbraw/zinc/47/36/31/599473631.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705977 599473632 /nfs/dbraw/zinc/47/36/32/599473632.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705977 599473633 /nfs/dbraw/zinc/47/36/33/599473633.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705977 599473634 /nfs/dbraw/zinc/47/36/34/599473634.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN CC(C)(C)[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819913735 599484800 /nfs/dbraw/zinc/48/48/00/599484800.db2.gz DIVSZHGLNCCZRI-UHFFFAOYSA-N 0 3 396.455 2.998 20 5 GFBDHN CC(C)(C)[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819913735 599484803 /nfs/dbraw/zinc/48/48/03/599484803.db2.gz DIVSZHGLNCCZRI-UHFFFAOYSA-N 0 3 396.455 2.998 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262505 660252497 /nfs/dbraw/zinc/25/24/97/660252497.db2.gz NHFAFULOJRDGPF-ZWNOBZJWSA-N 0 3 387.223 2.572 20 5 GFBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125480763 654796049 /nfs/dbraw/zinc/79/60/49/654796049.db2.gz DOOSEMYZKNRSEC-LBPRGKRZSA-N 0 3 375.878 2.661 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000273558373 655148255 /nfs/dbraw/zinc/14/82/55/655148255.db2.gz XSAXZJAYIPQUCH-GFCCVEGCSA-N 0 3 389.905 2.907 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224609 655429521 /nfs/dbraw/zinc/42/95/21/655429521.db2.gz HDRVBFUKZFIOTJ-JSGCOSHPSA-N 0 3 389.905 2.907 20 5 GFBDHN CC(C)[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N(C)C ZINC000803547426 659588586 /nfs/dbraw/zinc/58/85/86/659588586.db2.gz YEYVHARUYHSBRO-OAHLLOKOSA-N 0 3 384.274 2.828 20 5 GFBDHN CC(COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[N+](=O)[O-] ZINC000813105802 660043987 /nfs/dbraw/zinc/04/39/87/660043987.db2.gz UUCMOVNZXVPGDK-IINYFYTJSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813111693 660044151 /nfs/dbraw/zinc/04/41/51/660044151.db2.gz KIAAGUHTDGTAEL-ZANVPECISA-N 0 3 375.208 2.806 20 5 GFBDHN CC(COC(=O)CCc1nc(-c2cc(Br)cs2)no1)[N+](=O)[O-] ZINC000813112916 660044224 /nfs/dbraw/zinc/04/42/24/660044224.db2.gz WINAHLVSRMPAGJ-ZETCQYMHSA-N 0 3 390.215 2.702 20 5 GFBDHN Cc1sc2nc(CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000813113414 660044586 /nfs/dbraw/zinc/04/45/86/660044586.db2.gz DJDNAWYGMBVHMM-XCBNKYQSSA-N 0 3 385.467 2.844 20 5 GFBDHN CN1CCN(C2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213304 662464699 /nfs/dbraw/zinc/46/46/99/662464699.db2.gz SZOWHMHFOLXZSM-UHFFFAOYSA-N 0 3 383.290 2.574 20 5 GFBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310484 662541288 /nfs/dbraw/zinc/54/12/88/662541288.db2.gz ZPFIEJHGXWKIOA-KCJUWKMLSA-N 0 3 382.269 2.615 20 5 GFBDHN O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897219745 663595030 /nfs/dbraw/zinc/59/50/30/663595030.db2.gz NOHJSBVHOURSGW-QWHCGFSZSA-N 0 3 388.237 2.532 20 5 GFBDHN O=[N+]([O-])c1ccc(Br)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000929796129 664757754 /nfs/dbraw/zinc/75/77/54/664757754.db2.gz OUHTVZDDHLXFLJ-ZDUSSCGKSA-N 0 3 384.274 2.511 20 5 GFBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cccnc1[N+](=O)[O-] ZINC000933437682 664864056 /nfs/dbraw/zinc/86/40/56/664864056.db2.gz BQRLIXNWOQACRK-MRXNPFEDSA-N 0 3 380.242 2.836 20 5 GFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000935368877 664956899 /nfs/dbraw/zinc/95/68/99/664956899.db2.gz UZMHKUOHDBOCAL-HOCLYGCPSA-N 0 3 381.523 2.969 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486242 551298676 /nfs/dbraw/zinc/29/86/76/551298676.db2.gz BDEJSTOEHSMEDQ-CYBMUJFWSA-N 0 3 382.258 2.880 20 5 GFBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000127563480 551342121 /nfs/dbraw/zinc/34/21/21/551342121.db2.gz MPFPOYJDHSPWNU-JQWIXIFHSA-N 0 3 382.258 2.641 20 5 GFBDHN CN1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152559856 551435337 /nfs/dbraw/zinc/43/53/37/551435337.db2.gz DICNMSBMOJXGRJ-SECBINFHSA-N 0 3 376.638 2.835 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915146 551442698 /nfs/dbraw/zinc/44/26/98/551442698.db2.gz NRCFFCGFTYQHQG-DOMZBBRYSA-N 0 3 387.889 2.661 20 5 GFBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000152979447 551444282 /nfs/dbraw/zinc/44/42/82/551444282.db2.gz FDBTXGLJOROQDL-UHFFFAOYSA-N 0 3 391.225 2.715 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476059 552086137 /nfs/dbraw/zinc/08/61/37/552086137.db2.gz YMNCMCFXMZWAJZ-MRXNPFEDSA-N 0 3 395.257 2.579 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533614 553092055 /nfs/dbraw/zinc/09/20/55/553092055.db2.gz YJERMXOWQFFURN-ZWNOBZJWSA-N 0 3 382.258 2.974 20 5 GFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246189660 553103996 /nfs/dbraw/zinc/10/39/96/553103996.db2.gz OOKSFJCNZQZLQK-IAQYHMDHSA-N 0 3 384.274 2.698 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537944 563408793 /nfs/dbraw/zinc/40/87/93/563408793.db2.gz VOAVQEXADLUERR-HZMBPMFUSA-N 0 3 383.246 2.915 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000414589951 563747620 /nfs/dbraw/zinc/74/76/20/563747620.db2.gz XIICQOOGIRGVQG-ZWNOBZJWSA-N 0 3 390.221 2.840 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000450266603 564224811 /nfs/dbraw/zinc/22/48/11/564224811.db2.gz RVNPGKIPCFVWAH-STQMWFEESA-N 0 3 377.388 2.731 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000540172710 564241261 /nfs/dbraw/zinc/24/12/61/564241261.db2.gz SXJQHKFWGKQYOA-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502648 564319673 /nfs/dbraw/zinc/31/96/73/564319673.db2.gz PIXPPPFIXJSLDY-STQMWFEESA-N 0 3 386.246 2.699 20 5 GFBDHN CSC1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000568340743 564414639 /nfs/dbraw/zinc/41/46/39/564414639.db2.gz ZKPJBLHSBUCBJY-UHFFFAOYSA-N 0 3 386.905 2.875 20 5 GFBDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000515522430 564481122 /nfs/dbraw/zinc/48/11/22/564481122.db2.gz CUTAIKJYRQYHGZ-STQMWFEESA-N 0 3 389.905 2.895 20 5 GFBDHN CN(C)[C@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481217988 564505834 /nfs/dbraw/zinc/50/58/34/564505834.db2.gz HDJJPVKZHQEXLA-INIZCTEOSA-N 0 3 387.889 2.571 20 5 GFBDHN CCN1CCC(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000520439416 564604559 /nfs/dbraw/zinc/60/45/59/564604559.db2.gz UIGLVHVYCWOVMV-UHFFFAOYSA-N 0 3 375.878 2.567 20 5 GFBDHN C[C@@H](Cn1cc(Br)ccc1=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521404814 564626803 /nfs/dbraw/zinc/62/68/03/564626803.db2.gz PQQOSPQMHDTXLI-LBPRGKRZSA-N 0 3 396.241 2.576 20 5 GFBDHN C[C@@H]1CCC[C@@]1(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636568 564800497 /nfs/dbraw/zinc/80/04/97/564800497.db2.gz WEKWSWLVWYBILI-QMTHXVAHSA-N 0 3 390.221 2.840 20 5 GFBDHN CC(C)N1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678270 565053177 /nfs/dbraw/zinc/05/31/77/565053177.db2.gz NGPXSVATFXUFDI-ZDUSSCGKSA-N 0 3 384.274 2.889 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccccc3Br)CCC2)c1 ZINC000593041296 565309521 /nfs/dbraw/zinc/30/95/21/565309521.db2.gz ZPIHFSADWQFOQM-CYBMUJFWSA-N 0 3 395.257 2.584 20 5 GFBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578941 565350020 /nfs/dbraw/zinc/35/00/20/565350020.db2.gz VLJLMRWNOBFOSW-ZDUSSCGKSA-N 0 3 384.274 2.843 20 5 GFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857357 565578103 /nfs/dbraw/zinc/57/81/03/565578103.db2.gz FFYKHDXLRAXGHL-CYBMUJFWSA-N 0 3 384.274 2.889 20 5 GFBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422760 565782419 /nfs/dbraw/zinc/78/24/19/565782419.db2.gz YGLOOQWZIUTDQJ-KWQFWETISA-N 0 3 382.269 2.615 20 5 GFBDHN CNC(=O)C1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602537116 565853647 /nfs/dbraw/zinc/85/36/47/565853647.db2.gz ZJROQKJOKQNBAX-UHFFFAOYSA-N 0 3 376.276 2.813 20 5 GFBDHN CCCN1C[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602696078 565863297 /nfs/dbraw/zinc/86/32/97/565863297.db2.gz CIGBQNPWPIJHEF-SECBINFHSA-N 0 3 376.276 2.767 20 5 GFBDHN Cc1c(Br)c(NC2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000612449092 566163979 /nfs/dbraw/zinc/16/39/79/566163979.db2.gz YPONSVSRKJJFEO-GFCCVEGCSA-N 0 3 385.262 2.726 20 5 GFBDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552540 /nfs/dbraw/zinc/55/25/40/607552540.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552542 /nfs/dbraw/zinc/55/25/42/607552542.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552543 /nfs/dbraw/zinc/55/25/43/607552543.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552545 /nfs/dbraw/zinc/55/25/45/607552545.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 0 3 396.451 2.967 20 5 GFBDHN CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399410 607553359 /nfs/dbraw/zinc/55/33/59/607553359.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399410 607553360 /nfs/dbraw/zinc/55/33/60/607553360.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399410 607553363 /nfs/dbraw/zinc/55/33/63/607553363.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399410 607553364 /nfs/dbraw/zinc/55/33/64/607553364.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 0 3 382.424 2.891 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000823639931 607061682 /nfs/dbraw/zinc/06/16/82/607061682.db2.gz MJFAWIBFHLCHSS-UHFFFAOYSA-N 0 3 397.414 2.673 20 5 GFBDHN COc1ccc(OCC[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826211647 608463264 /nfs/dbraw/zinc/46/32/64/608463264.db2.gz NVAZMXLHWMPSDM-LBPRGKRZSA-N 0 3 384.396 2.513 20 5 GFBDHN COc1ccc(OCC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826211647 608463266 /nfs/dbraw/zinc/46/32/66/608463266.db2.gz NVAZMXLHWMPSDM-LBPRGKRZSA-N 0 3 384.396 2.513 20 5 GFBDHN COC(=O)COc1ccc(CNC[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824773192 660401403 /nfs/dbraw/zinc/40/14/03/660401403.db2.gz JZWBGBWTVZMTGJ-AWEZNQCLSA-N 0 3 377.224 2.820 20 5 GFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838661 660682685 /nfs/dbraw/zinc/68/26/85/660682685.db2.gz ZXYOZPFOCDZUNM-LBPRGKRZSA-N 0 3 385.262 2.603 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000129077537 654855809 /nfs/dbraw/zinc/85/58/09/654855809.db2.gz MCCPMQUZFCFCMM-OCCSQVGLSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000272501108 655115148 /nfs/dbraw/zinc/11/51/48/655115148.db2.gz LHZDBSXMRRBXCZ-NSHDSACASA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000107708278 655124216 /nfs/dbraw/zinc/12/42/16/655124216.db2.gz CUDYDZHZLALULA-CQSZACIVSA-N 0 3 387.889 2.887 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCCCO2)c1 ZINC000577717651 655465501 /nfs/dbraw/zinc/46/55/01/655465501.db2.gz DAYHZOZKUJPWDO-CYBMUJFWSA-N 0 3 376.194 2.858 20 5 GFBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000749144719 655800992 /nfs/dbraw/zinc/80/09/92/655800992.db2.gz UJBLHXOAPDCRKU-ZDUSSCGKSA-N 0 3 385.262 2.808 20 5 GFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637772 655870657 /nfs/dbraw/zinc/87/06/57/655870657.db2.gz XXLZJYGITZEAMJ-LLVKDONJSA-N 0 3 386.221 2.711 20 5 GFBDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810192 656252234 /nfs/dbraw/zinc/25/22/34/656252234.db2.gz DRCYSQKDUQJNGL-TXEJJXNPSA-N 0 3 375.516 2.691 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000798464320 659109622 /nfs/dbraw/zinc/10/96/22/659109622.db2.gz MRMMWNKJXYESBW-UHFFFAOYSA-N 0 3 375.878 2.663 20 5 GFBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824361 659944029 /nfs/dbraw/zinc/94/40/29/659944029.db2.gz OZLQIODVPBBXQP-UHFFFAOYSA-N 0 3 384.285 2.912 20 5 GFBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824361 659944030 /nfs/dbraw/zinc/94/40/30/659944030.db2.gz OZLQIODVPBBXQP-UHFFFAOYSA-N 0 3 384.285 2.912 20 5 GFBDHN CC(COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813108053 660043865 /nfs/dbraw/zinc/04/38/65/660043865.db2.gz UOMWFAMFKRMOFT-QMTHXVAHSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813106741 660043940 /nfs/dbraw/zinc/04/39/40/660043940.db2.gz HGCHPPKLNSDTAR-NSHDSACASA-N 0 3 399.241 2.510 20 5 GFBDHN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108935 660043944 /nfs/dbraw/zinc/04/39/44/660043944.db2.gz MPYLXKYPNWQVBO-NEPJUHHUSA-N 0 3 375.468 2.559 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000813114222 660044494 /nfs/dbraw/zinc/04/44/94/660044494.db2.gz NVVKGAXABRCNIU-TVQRCGJNSA-N 0 3 375.208 2.806 20 5 GFBDHN CC([C@H](OC(=O)c1cnn(C)c1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845874302 661502477 /nfs/dbraw/zinc/50/24/77/661502477.db2.gz GZAJZCNPAMKATQ-UFBFGSQYSA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1F)[N+](=O)[O-] ZINC000845873171 661502498 /nfs/dbraw/zinc/50/24/98/661502498.db2.gz BQPCTDHHOWNVIB-LKFCYVNXSA-N 0 3 387.410 2.854 20 5 GFBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629436 662294889 /nfs/dbraw/zinc/29/48/89/662294889.db2.gz POVJOCFPKZCHJC-LBPRGKRZSA-N 0 3 397.273 2.889 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCOC23CCOCC3)cc1Br ZINC000898116690 663634299 /nfs/dbraw/zinc/63/42/99/663634299.db2.gz USOOZFFTSUJDKM-LLVKDONJSA-N 0 3 377.260 2.847 20 5 GFBDHN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924059867 664645821 /nfs/dbraw/zinc/64/58/21/664645821.db2.gz WEFYBFFTJXXMLS-GFCCVEGCSA-N 0 3 397.225 2.802 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246082 552080573 /nfs/dbraw/zinc/08/05/73/552080573.db2.gz HPBPPBHJEXYSIB-HZMBPMFUSA-N 0 3 375.878 2.517 20 5 GFBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000173849430 552094126 /nfs/dbraw/zinc/09/41/26/552094126.db2.gz IIZLNIZPQYSTLN-QWHCGFSZSA-N 0 3 387.889 2.884 20 5 GFBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000179844074 552205139 /nfs/dbraw/zinc/20/51/39/552205139.db2.gz AMZYNEJRCBQFHO-JTQLQIEISA-N 0 3 386.246 2.701 20 5 GFBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000182278551 552280355 /nfs/dbraw/zinc/28/03/55/552280355.db2.gz PAOUFQLCPFWDGC-OCCSQVGLSA-N 0 3 386.246 2.843 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000248626521 553131904 /nfs/dbraw/zinc/13/19/04/553131904.db2.gz YZSXWJWDMCCCFF-CHWSQXEVSA-N 0 3 387.889 2.661 20 5 GFBDHN COC1([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000412018402 563645094 /nfs/dbraw/zinc/64/50/94/563645094.db2.gz BKLHBNOZJVPHNL-JTQLQIEISA-N 0 3 386.246 2.843 20 5 GFBDHN CN1CCN(C[C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393965 563721537 /nfs/dbraw/zinc/72/15/37/563721537.db2.gz XFSONTKOIMWFIR-CQSZACIVSA-N 0 3 397.317 2.821 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000290858188 563723966 /nfs/dbraw/zinc/72/39/66/563723966.db2.gz XCYBXFSPGBMUKF-ZWNOBZJWSA-N 0 3 393.868 2.738 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000366536514 563812683 /nfs/dbraw/zinc/81/26/83/563812683.db2.gz RUVKOGLAUHJVSO-INIZCTEOSA-N 0 3 382.258 2.834 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000541422291 564278672 /nfs/dbraw/zinc/27/86/72/564278672.db2.gz BHRKZVAAGMWVKX-OAHLLOKOSA-N 0 3 389.930 2.894 20 5 GFBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000543504815 564353371 /nfs/dbraw/zinc/35/33/71/564353371.db2.gz RHLJTPXEUAKEQQ-MNOVXSKESA-N 0 3 386.246 2.701 20 5 GFBDHN C[C@H](CCCC(F)(F)F)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000480198697 564463398 /nfs/dbraw/zinc/46/33/98/564463398.db2.gz SXFQPKZJHGKNGA-LLVKDONJSA-N 0 3 383.392 2.584 20 5 GFBDHN CO[C@H]1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890452 564753409 /nfs/dbraw/zinc/75/34/09/564753409.db2.gz UXRCFTZGZJNVCV-YPMHNXCESA-N 0 3 376.194 2.857 20 5 GFBDHN C[C@@H]1CCC[C@]1(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636570 564800830 /nfs/dbraw/zinc/80/08/30/564800830.db2.gz WEKWSWLVWYBILI-YGRLFVJLSA-N 0 3 390.221 2.840 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCCN1CCN(CCO)CC1 ZINC000557605089 564869542 /nfs/dbraw/zinc/86/95/42/564869542.db2.gz ZNAPXCKPUUGZSA-UHFFFAOYSA-N 0 3 391.299 2.704 20 5 GFBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000500970457 564966800 /nfs/dbraw/zinc/96/68/00/564966800.db2.gz NXTYBHCSWNOTCV-UHFFFAOYSA-N 0 3 395.257 2.889 20 5 GFBDHN CCOC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000503444605 565019462 /nfs/dbraw/zinc/01/94/62/565019462.db2.gz ZDDJQSNEZUOHSX-CQSZACIVSA-N 0 3 388.262 2.947 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCC2(O)CCCC2)c1 ZINC000589311407 565161465 /nfs/dbraw/zinc/16/14/65/565161465.db2.gz CXKHPDZHXYGPJM-UHFFFAOYSA-N 0 3 376.194 2.594 20 5 GFBDHN Cc1c(Br)c(N2CCC(N3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596268468 565518143 /nfs/dbraw/zinc/51/81/43/565518143.db2.gz LEAUMMUHGAZADR-UHFFFAOYSA-N 0 3 399.289 2.752 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC000599629186 565693699 /nfs/dbraw/zinc/69/36/99/565693699.db2.gz GQLOJPRBNKOFJZ-AWEZNQCLSA-N 0 3 388.287 2.524 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869995 /nfs/dbraw/zinc/86/99/95/598869995.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869996 /nfs/dbraw/zinc/86/99/96/598869996.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869997 /nfs/dbraw/zinc/86/99/97/598869997.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869998 /nfs/dbraw/zinc/86/99/98/598869998.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821581720 606139428 /nfs/dbraw/zinc/13/94/28/606139428.db2.gz TZONKPCPLOETTA-CQSZACIVSA-N 0 3 388.819 2.538 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820665793 606199513 /nfs/dbraw/zinc/19/95/13/606199513.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820665793 606199514 /nfs/dbraw/zinc/19/95/14/606199514.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665793 606199515 /nfs/dbraw/zinc/19/95/15/606199515.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665793 606199517 /nfs/dbraw/zinc/19/95/17/606199517.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820665791 606199823 /nfs/dbraw/zinc/19/98/23/606199823.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820665791 606199825 /nfs/dbraw/zinc/19/98/25/606199825.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665791 606199827 /nfs/dbraw/zinc/19/98/27/606199827.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665791 606199830 /nfs/dbraw/zinc/19/98/30/606199830.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CCN1CC(C)(C)O ZINC000839573880 661092984 /nfs/dbraw/zinc/09/29/84/661092984.db2.gz HLXAGEJFFZABID-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194344936 655415311 /nfs/dbraw/zinc/41/53/11/655415311.db2.gz XHQQRTFIBJJRFD-UHFFFAOYSA-N 0 3 375.466 2.722 20 5 GFBDHN COc1cc(I)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103207 660043925 /nfs/dbraw/zinc/04/39/25/660043925.db2.gz YXBBWJDWPYLHNP-LURJTMIESA-N 0 3 399.568 2.775 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000813111589 660044188 /nfs/dbraw/zinc/04/41/88/660044188.db2.gz VJOQXLPPACXHIJ-TVQRCGJNSA-N 0 3 375.208 2.806 20 5 GFBDHN CC(COC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[N+](=O)[O-] ZINC000813111377 660044380 /nfs/dbraw/zinc/04/43/80/660044380.db2.gz SHFPKWQOSMSYAI-SNVBAGLBSA-N 0 3 394.225 2.946 20 5 GFBDHN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033521 660104814 /nfs/dbraw/zinc/10/48/14/660104814.db2.gz JWINBJYGPXEDHT-JTQLQIEISA-N 0 3 379.841 2.538 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841572923 661305325 /nfs/dbraw/zinc/30/53/25/661305325.db2.gz SOQAIDRVCAOWDE-UHFFFAOYSA-N 0 3 393.868 2.882 20 5 GFBDHN C[C@@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109259 661368550 /nfs/dbraw/zinc/36/85/50/661368550.db2.gz WYCLJSNPYFLVRV-WFASDCNBSA-N 0 3 384.479 2.532 20 5 GFBDHN O=C(OCc1cc([N+](=O)[O-])ccc1Br)C1CCCN(C2CC2)C1=O ZINC000924052496 664645637 /nfs/dbraw/zinc/64/56/37/664645637.db2.gz HBCLSCNJJRPJKR-CYBMUJFWSA-N 0 3 397.225 2.802 20 5 GFBDHN CCOC(=O)C1CCN(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC001164614208 719021564 /nfs/dbraw/zinc/02/15/64/719021564.db2.gz PPZDROVJJZJDNX-UHFFFAOYSA-N 0 3 396.875 2.887 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768962 721121430 /nfs/dbraw/zinc/12/14/30/721121430.db2.gz OMJVTLHBDXJWJC-ROUUACIJSA-N 0 3 392.463 2.835 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000359978408 209208728 /nfs/dbraw/zinc/20/87/28/209208728.db2.gz ZTAUQSFCAGYBFF-CABCVRRESA-N 0 3 378.812 2.968 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000180174538 552216090 /nfs/dbraw/zinc/21/60/90/552216090.db2.gz YZSXWJWDMCCCFF-STQMWFEESA-N 0 3 387.889 2.661 20 5 GFBDHN COCCN1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637352 552289632 /nfs/dbraw/zinc/28/96/32/552289632.db2.gz RQCJUZWNFWYIBE-ZDUSSCGKSA-N 0 3 387.889 2.567 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728200 552318147 /nfs/dbraw/zinc/31/81/47/552318147.db2.gz GJPAXFJOENSPDA-CHWSQXEVSA-N 0 3 389.905 2.907 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533611 553092063 /nfs/dbraw/zinc/09/20/63/553092063.db2.gz YJERMXOWQFFURN-MFKMUULPSA-N 0 3 382.258 2.974 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCSC1 ZINC000295125317 563230074 /nfs/dbraw/zinc/23/00/74/563230074.db2.gz HMJBXUVGYUBSLI-AWEZNQCLSA-N 0 3 377.388 2.781 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180472 563331089 /nfs/dbraw/zinc/33/10/89/563331089.db2.gz USGDAPCDLOTMPR-IINYFYTJSA-N 0 3 383.246 2.915 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537945 563409012 /nfs/dbraw/zinc/40/90/12/563409012.db2.gz VOAVQEXADLUERR-IINYFYTJSA-N 0 3 383.246 2.915 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330557337 563511247 /nfs/dbraw/zinc/51/12/47/563511247.db2.gz WPQXDJKUTYMXMW-STQMWFEESA-N 0 3 377.388 2.731 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCSC1 ZINC000437359863 563694606 /nfs/dbraw/zinc/69/46/06/563694606.db2.gz QKQFSZVDRDZLJT-AWEZNQCLSA-N 0 3 377.388 2.781 20 5 GFBDHN COc1ccc(CN[C@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000414080501 563718149 /nfs/dbraw/zinc/71/81/49/563718149.db2.gz TXDAZKLSCPLQML-LLVKDONJSA-N 0 3 396.241 2.706 20 5 GFBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158479 563894578 /nfs/dbraw/zinc/89/45/78/563894578.db2.gz DLFCWKVBUNWIHC-ZDUSSCGKSA-N 0 3 389.905 2.895 20 5 GFBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158479 563894581 /nfs/dbraw/zinc/89/45/81/563894581.db2.gz DLFCWKVBUNWIHC-ZDUSSCGKSA-N 0 3 389.905 2.895 20 5 GFBDHN CC[C@@H]1OCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000459743931 564760201 /nfs/dbraw/zinc/76/02/01/564760201.db2.gz QPRYPIOBLPTSNC-OLZOCXBDSA-N 0 3 376.194 2.857 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000584081699 564919723 /nfs/dbraw/zinc/91/97/23/564919723.db2.gz HWMBXEXEZBOVBF-UONOGXRCSA-N 0 3 388.205 2.857 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC2(CO)CCCCC2)c1 ZINC000589256840 565157585 /nfs/dbraw/zinc/15/75/85/565157585.db2.gz OGGRTFHJNIGTRD-UHFFFAOYSA-N 0 3 390.221 2.984 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC000599629188 565693956 /nfs/dbraw/zinc/69/39/56/565693956.db2.gz GQLOJPRBNKOFJZ-CQSZACIVSA-N 0 3 388.287 2.524 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290617 565837850 /nfs/dbraw/zinc/83/78/50/565837850.db2.gz IFLFNCWPWMYAQR-AAEUAGOBSA-N 0 3 382.258 2.914 20 5 GFBDHN CN(C)[C@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000602563143 565854849 /nfs/dbraw/zinc/85/48/49/565854849.db2.gz FJUILXKLJQVXKC-LBPRGKRZSA-N 0 3 380.333 2.946 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000602584235 565856497 /nfs/dbraw/zinc/85/64/97/565856497.db2.gz YSSUCEINBWBBCB-ZANVPECISA-N 0 3 377.260 2.847 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC3(C2)CCN(C)CC3)cc1[N+](=O)[O-] ZINC000603383568 565902779 /nfs/dbraw/zinc/90/27/79/565902779.db2.gz OZBWFDJNUYNNQT-UHFFFAOYSA-N 0 3 387.889 2.663 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738359483 598674089 /nfs/dbraw/zinc/67/40/89/598674089.db2.gz RVKZAWOHUXNKPL-HNNXBMFYSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738359483 598674090 /nfs/dbraw/zinc/67/40/90/598674090.db2.gz RVKZAWOHUXNKPL-HNNXBMFYSA-N 0 3 385.472 2.867 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293521 608463370 /nfs/dbraw/zinc/46/33/70/608463370.db2.gz RUYBDAQYMLUPEX-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293521 608463371 /nfs/dbraw/zinc/46/33/71/608463371.db2.gz RUYBDAQYMLUPEX-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000246258560 655429681 /nfs/dbraw/zinc/42/96/81/655429681.db2.gz KQPQDKRUSDXKQO-TZMCWYRMSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636906 655870717 /nfs/dbraw/zinc/87/07/17/655870717.db2.gz SBACSZMXYJEYHX-SNVBAGLBSA-N 0 3 388.237 2.958 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000776582691 656762502 /nfs/dbraw/zinc/76/25/02/656762502.db2.gz TXBHQKOUGBFRKE-INIZCTEOSA-N 0 3 395.257 2.924 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000782082410 657101702 /nfs/dbraw/zinc/10/17/02/657101702.db2.gz DJFULGDGYNUSTP-CVEARBPZSA-N 0 3 381.226 2.714 20 5 GFBDHN Cc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1Br ZINC000786803492 657467220 /nfs/dbraw/zinc/46/72/20/657467220.db2.gz GZTMQDQIODMSFJ-ZDUSSCGKSA-N 0 3 384.274 2.824 20 5 GFBDHN CCS(=O)(=O)N(C)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811473648 660009933 /nfs/dbraw/zinc/00/99/33/660009933.db2.gz HCLWWBPRPOKMCE-UHFFFAOYSA-N 0 3 384.285 2.663 20 5 GFBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813113065 660044181 /nfs/dbraw/zinc/04/41/81/660044181.db2.gz WXTXDMYFTMRREV-YACGNSKGSA-N 0 3 375.208 2.721 20 5 GFBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813451801 660054356 /nfs/dbraw/zinc/05/43/56/660054356.db2.gz RDGFMANLBMLUBI-NSHDSACASA-N 0 3 389.283 2.657 20 5 GFBDHN C[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989536 660100295 /nfs/dbraw/zinc/10/02/95/660100295.db2.gz OJIYBXIDNFFYLS-JTQLQIEISA-N 0 3 379.841 2.540 20 5 GFBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000816952257 660174248 /nfs/dbraw/zinc/17/42/48/660174248.db2.gz GNWNJZNQIZADNZ-PELKAZGASA-N 0 3 388.649 2.787 20 5 GFBDHN COC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000895858516 663530544 /nfs/dbraw/zinc/53/05/44/663530544.db2.gz KALIROBWBADZKH-BXKDBHETSA-N 0 3 379.276 2.950 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000897227846 663596111 /nfs/dbraw/zinc/59/61/11/663596111.db2.gz ICSGUZRQSXYKPP-NSHDSACASA-N 0 3 390.303 2.762 20 5 GFBDHN COc1cc([C@H](C)NCCn2cc(Br)ccc2=O)cc([N+](=O)[O-])c1 ZINC000903177387 663777195 /nfs/dbraw/zinc/77/71/95/663777195.db2.gz METYIMNZEOUITI-NSHDSACASA-N 0 3 396.241 2.878 20 5 GFBDHN C[C@@]1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374954 664284312 /nfs/dbraw/zinc/28/43/12/664284312.db2.gz RWXWQECZYNOPTM-MRXNPFEDSA-N 0 3 382.258 2.500 20 5 GFBDHN C[C@](CO)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495589 664908808 /nfs/dbraw/zinc/90/88/08/664908808.db2.gz FBXRCXVOIWRQLW-DLBZAZTESA-N 0 3 395.253 2.888 20 5 GFBDHN CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728771 720432809 /nfs/dbraw/zinc/43/28/09/720432809.db2.gz GIMLQFSXXCBNJF-RJOCJTBNSA-N 0 3 394.479 2.770 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC[C@H](CO)C2)c1 ZINC000414589948 563747888 /nfs/dbraw/zinc/74/78/88/563747888.db2.gz XIICQOOGIRGVQG-GWCFXTLKSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1[N+](=O)[O-] ZINC000126136867 551326623 /nfs/dbraw/zinc/32/66/23/551326623.db2.gz JBVJQUNGPGVHMV-QWHCGFSZSA-N 0 3 382.258 2.974 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccccc2Br)c1 ZINC000131032302 551371305 /nfs/dbraw/zinc/37/13/05/551371305.db2.gz IIPZQRZDJLCARS-AWEZNQCLSA-N 0 3 381.226 2.887 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000150966398 551404736 /nfs/dbraw/zinc/40/47/36/551404736.db2.gz KJTAIMGGVBSOQM-CQSZACIVSA-N 0 3 382.258 2.597 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCN(CC2CC2)C1 ZINC000153143577 551447512 /nfs/dbraw/zinc/44/75/12/551447512.db2.gz IWZLFSKTVMEQCD-CYBMUJFWSA-N 0 3 382.258 2.500 20 5 GFBDHN CCc1ccccc1[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457201 563263805 /nfs/dbraw/zinc/26/38/05/563263805.db2.gz HSELFQJFGXHPHF-CQSZACIVSA-N 0 3 383.857 2.789 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868729 563274174 /nfs/dbraw/zinc/27/41/74/563274174.db2.gz XSCJNEFSCVERAB-ZJUUUORDSA-N 0 3 388.287 2.975 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000281150558 563367587 /nfs/dbraw/zinc/36/75/87/563367587.db2.gz KOJFXJWPSLGXDQ-UHFFFAOYSA-N 0 3 393.868 2.882 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccc(Br)cc2)c1 ZINC000320280610 563446539 /nfs/dbraw/zinc/44/65/39/563446539.db2.gz NUERSXKARQJJRU-HNNXBMFYSA-N 0 3 381.226 2.887 20 5 GFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563120 563511302 /nfs/dbraw/zinc/51/13/02/563511302.db2.gz JURMAPWUJLTJGZ-NWDGAFQWSA-N 0 3 399.289 2.710 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000331581266 563553908 /nfs/dbraw/zinc/55/39/08/563553908.db2.gz WPYTZOQNSXGLJK-VFZGTOFNSA-N 0 3 382.258 2.878 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000540172711 564240854 /nfs/dbraw/zinc/24/08/54/564240854.db2.gz SXJQHKFWGKQYOA-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN CC(C)(O)CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000573022610 564620236 /nfs/dbraw/zinc/62/02/36/564620236.db2.gz MPJPOCMADCDGAR-UHFFFAOYSA-N 0 3 390.221 2.935 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCCOC(F)F)c1 ZINC000573371165 564634836 /nfs/dbraw/zinc/63/48/36/564634836.db2.gz QECSJSUUTQKLHO-UHFFFAOYSA-N 0 3 386.136 2.918 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000584081700 564919868 /nfs/dbraw/zinc/91/98/68/564919868.db2.gz HWMBXEXEZBOVBF-ZIAGYGMSSA-N 0 3 388.205 2.857 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406841 564962387 /nfs/dbraw/zinc/96/23/87/564962387.db2.gz LHGYVSAMSMHCFZ-TXEJJXNPSA-N 0 3 375.516 2.611 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406841 564962390 /nfs/dbraw/zinc/96/23/90/564962390.db2.gz LHGYVSAMSMHCFZ-TXEJJXNPSA-N 0 3 375.516 2.611 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCN(C3CC3)C2)c1 ZINC000561405441 564994047 /nfs/dbraw/zinc/99/40/47/564994047.db2.gz GWCABSUIQUCFLG-GFCCVEGCSA-N 0 3 387.221 2.526 20 5 GFBDHN C[C@@]1(CO)CCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037952 565016460 /nfs/dbraw/zinc/01/64/60/565016460.db2.gz FTHDXAFGFNIFOA-KGLIPLIRSA-N 0 3 390.221 2.840 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000594971330 565438834 /nfs/dbraw/zinc/43/88/34/565438834.db2.gz FCFBFVQUGGMMQB-LLVKDONJSA-N 0 3 398.147 2.713 20 5 GFBDHN NCc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000599100936 565656631 /nfs/dbraw/zinc/65/66/31/565656631.db2.gz FSWWYWRHDDYKQU-UHFFFAOYSA-N 0 3 381.841 2.848 20 5 GFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCC1CCS(=O)(=O)CC1 ZINC000602577464 565856418 /nfs/dbraw/zinc/85/64/18/565856418.db2.gz UVFXLAPZIKTBLF-UHFFFAOYSA-N 0 3 380.388 2.918 20 5 GFBDHN CS(=O)(=O)CC1(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602704461 565863254 /nfs/dbraw/zinc/86/32/54/565863254.db2.gz FKRYEPABRBQGJG-UHFFFAOYSA-N 0 3 380.388 2.918 20 5 GFBDHN C[C@@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400533 609605855 /nfs/dbraw/zinc/60/58/55/609605855.db2.gz JCJXEVMXSPUFIU-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400533 609605856 /nfs/dbraw/zinc/60/58/56/609605856.db2.gz JCJXEVMXSPUFIU-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115585409 655239499 /nfs/dbraw/zinc/23/94/99/655239499.db2.gz RVIWRBLLRDPQOO-GFCCVEGCSA-N 0 3 375.878 2.519 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063010 655428856 /nfs/dbraw/zinc/42/88/56/655428856.db2.gz DKDQKBIQBWZFTF-AAEUAGOBSA-N 0 3 375.878 2.599 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000763624433 656088389 /nfs/dbraw/zinc/08/83/89/656088389.db2.gz WRJXOSSFYOIRBV-UHFFFAOYSA-N 0 3 375.466 2.785 20 5 GFBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791421151 658095402 /nfs/dbraw/zinc/09/54/02/658095402.db2.gz ICDXNVYZWRSPEC-SECBINFHSA-N 0 3 382.269 2.616 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809444 659940703 /nfs/dbraw/zinc/94/07/03/659940703.db2.gz XZCAIRDUTPZTLI-RYUDHWBXSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809444 659940706 /nfs/dbraw/zinc/94/07/06/659940706.db2.gz XZCAIRDUTPZTLI-RYUDHWBXSA-N 0 3 394.280 2.807 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813111691 660044427 /nfs/dbraw/zinc/04/44/27/660044427.db2.gz KIAAGUHTDGTAEL-TVQRCGJNSA-N 0 3 375.208 2.806 20 5 GFBDHN Cc1sc2nc(CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000813113415 660044510 /nfs/dbraw/zinc/04/45/10/660044510.db2.gz DJDNAWYGMBVHMM-XVKPBYJWSA-N 0 3 385.467 2.844 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000815003335 660100803 /nfs/dbraw/zinc/10/08/03/660100803.db2.gz OZBYVJZAFYQXNC-NSHDSACASA-N 0 3 393.868 2.786 20 5 GFBDHN CC([C@@H](OC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877431 661502954 /nfs/dbraw/zinc/50/29/54/661502954.db2.gz PRLNXOAACUCYNU-YMTOWFKASA-N 0 3 387.410 2.854 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955245 663079581 /nfs/dbraw/zinc/07/95/81/663079581.db2.gz RNYNXVAMEXXDJH-NXEZZACHSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955245 663079583 /nfs/dbraw/zinc/07/95/83/663079583.db2.gz RNYNXVAMEXXDJH-NXEZZACHSA-N 0 3 394.280 2.807 20 5 GFBDHN Nc1c(Br)cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000932272656 664817570 /nfs/dbraw/zinc/81/75/70/664817570.db2.gz JAEJOALCTIOQBJ-LBPRGKRZSA-N 0 3 397.273 2.640 20 5 GFBDHN Cc1c(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971378 722124135 /nfs/dbraw/zinc/12/41/35/722124135.db2.gz BSDFNUYILYJDFA-AZUAARDMSA-N 0 3 397.479 2.729 20 5 GFBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127994893 551345561 /nfs/dbraw/zinc/34/55/61/551345561.db2.gz BGEJNHVQFXKARV-CQSZACIVSA-N 0 3 387.267 2.820 20 5 GFBDHN CCN1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000150925327 551403936 /nfs/dbraw/zinc/40/39/36/551403936.db2.gz IREBZCDWGRFFEU-UHFFFAOYSA-N 0 3 384.274 2.843 20 5 GFBDHN O=[N+]([O-])c1cnn(CCNCC2=Cc3cc(Br)ccc3OC2)c1 ZINC000151279990 551410916 /nfs/dbraw/zinc/41/09/16/551410916.db2.gz JIZLHTDSMMPXTA-UHFFFAOYSA-N 0 3 379.214 2.619 20 5 GFBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173514532 552087359 /nfs/dbraw/zinc/08/73/59/552087359.db2.gz LXIKPJGJBVGBSM-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN C[C@H]1CCCN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569566 552196484 /nfs/dbraw/zinc/19/64/84/552196484.db2.gz QBZLJLVFGHSOKV-LBPRGKRZSA-N 0 3 375.516 2.984 20 5 GFBDHN CN(C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000180054423 552211113 /nfs/dbraw/zinc/21/11/13/552211113.db2.gz GQNCJYQWOJUVFK-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN O=C(NCCCNCc1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236607358 553069786 /nfs/dbraw/zinc/06/97/86/553069786.db2.gz RBAPCTKCIXKRRB-UHFFFAOYSA-N 0 3 393.241 2.662 20 5 GFBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCC(CN2CCOCC2)CC1 ZINC000301688205 563410328 /nfs/dbraw/zinc/41/03/28/563410328.db2.gz VLOWALYWAVZLRZ-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN CCN1CCN([C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410446 563420777 /nfs/dbraw/zinc/42/07/77/563420777.db2.gz XGGKZSDSGQYZIF-INIZCTEOSA-N 0 3 397.317 2.569 20 5 GFBDHN O=[N+]([O-])c1nn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1Br ZINC000284340054 563471806 /nfs/dbraw/zinc/47/18/06/563471806.db2.gz VGLWREQPYGRJBT-AWEZNQCLSA-N 0 3 395.257 2.845 20 5 GFBDHN COC1([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000412018403 563644588 /nfs/dbraw/zinc/64/45/88/563644588.db2.gz BKLHBNOZJVPHNL-SNVBAGLBSA-N 0 3 386.246 2.843 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000290115184 563698832 /nfs/dbraw/zinc/69/88/32/563698832.db2.gz YCMDAWVBWGODNL-JTQLQIEISA-N 0 3 376.194 2.668 20 5 GFBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077698 563772498 /nfs/dbraw/zinc/77/24/98/563772498.db2.gz QRLMXTVUUQVVPD-AWEZNQCLSA-N 0 3 394.280 2.618 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292151159 563776071 /nfs/dbraw/zinc/77/60/71/563776071.db2.gz INEKEOWSQLIIPH-INIZCTEOSA-N 0 3 382.258 2.834 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000564792170 564248824 /nfs/dbraw/zinc/24/88/24/564248824.db2.gz AMECSHLDRUZGJT-UHFFFAOYSA-N 0 3 386.832 2.993 20 5 GFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148553 564360458 /nfs/dbraw/zinc/36/04/58/564360458.db2.gz ZBJQFHMNLGAYCO-BETUJISGSA-N 0 3 389.905 2.895 20 5 GFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148553 564360460 /nfs/dbraw/zinc/36/04/60/564360460.db2.gz ZBJQFHMNLGAYCO-BETUJISGSA-N 0 3 389.905 2.895 20 5 GFBDHN CCC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000512257424 564396145 /nfs/dbraw/zinc/39/61/45/564396145.db2.gz FNBKMIFJLJCMIA-HNNXBMFYSA-N 0 3 386.246 2.845 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN(CCO)C2CCC2)c1 ZINC000570975452 564530650 /nfs/dbraw/zinc/53/06/50/564530650.db2.gz MKEDDFOPSZLUOD-UHFFFAOYSA-N 0 3 376.194 2.546 20 5 GFBDHN CC(C)(C)[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804068 564610973 /nfs/dbraw/zinc/61/09/73/564610973.db2.gz PDQLUPHDMLCNEJ-LBPRGKRZSA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000576029160 564704770 /nfs/dbraw/zinc/70/47/70/564704770.db2.gz BGNPSVPKKCZPJN-NWDGAFQWSA-N 0 3 382.258 2.974 20 5 GFBDHN C[C@H]1CCC[C@]1(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636565 564800815 /nfs/dbraw/zinc/80/08/15/564800815.db2.gz WEKWSWLVWYBILI-HZMBPMFUSA-N 0 3 390.221 2.840 20 5 GFBDHN CC[C@@H](C)[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635274 564855713 /nfs/dbraw/zinc/85/57/13/564855713.db2.gz UCZSQMJREGJEET-RNCFNFMXSA-N 0 3 378.210 2.696 20 5 GFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000495581123 564855871 /nfs/dbraw/zinc/85/58/71/564855871.db2.gz UWWXWHAOJQIENU-RIEGTJTDSA-N 0 3 387.889 2.520 20 5 GFBDHN C[C@H](CCc1ccsc1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000462792327 564858966 /nfs/dbraw/zinc/85/89/66/564858966.db2.gz UTVVDEOMMAHSAX-CYBMUJFWSA-N 0 3 383.495 2.546 20 5 GFBDHN C[C@H]1CN(C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053489 564867809 /nfs/dbraw/zinc/86/78/09/564867809.db2.gz JHTXRSUKBVREDZ-JOYOIKCWSA-N 0 3 381.230 2.996 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502526070 565001348 /nfs/dbraw/zinc/00/13/48/565001348.db2.gz DQHRFWGMCPCXSC-ZIAGYGMSSA-N 0 3 378.397 2.509 20 5 GFBDHN CC(C)[C@@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071498 565017299 /nfs/dbraw/zinc/01/72/99/565017299.db2.gz BRIJTPWLLHZHHP-ZDUSSCGKSA-N 0 3 378.210 2.696 20 5 GFBDHN CC(C)(C)[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789713 565421827 /nfs/dbraw/zinc/42/18/27/565421827.db2.gz KHFWXRLZABABMI-LLVKDONJSA-N 0 3 375.878 2.647 20 5 GFBDHN CC(C)(C)[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789713 565421832 /nfs/dbraw/zinc/42/18/32/565421832.db2.gz KHFWXRLZABABMI-LLVKDONJSA-N 0 3 375.878 2.647 20 5 GFBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000598981659 565652607 /nfs/dbraw/zinc/65/26/07/565652607.db2.gz ZUKFPHSKNWTVIF-UHFFFAOYSA-N 0 3 391.225 2.715 20 5 GFBDHN COCCN1CCC[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535611 565853959 /nfs/dbraw/zinc/85/39/59/565853959.db2.gz QRLTYNHCRJXYBF-JTQLQIEISA-N 0 3 378.292 2.619 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCN(CC2CCOCC2)CC1 ZINC000609894290 566057195 /nfs/dbraw/zinc/05/71/95/566057195.db2.gz HUHMFWGIWWOGPE-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132834 655017558 /nfs/dbraw/zinc/01/75/58/655017558.db2.gz FHNZSTMZKVMSSS-OAHLLOKOSA-N 0 3 397.317 2.569 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000273539160 655147113 /nfs/dbraw/zinc/14/71/13/655147113.db2.gz STTJTUSPNNDDCE-LLVKDONJSA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cs1 ZINC000768799647 656251753 /nfs/dbraw/zinc/25/17/53/656251753.db2.gz VVEAWWWRIZTMMB-UHFFFAOYSA-N 0 3 381.479 2.731 20 5 GFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077253 657100796 /nfs/dbraw/zinc/10/07/96/657100796.db2.gz DBMPNCDDOZCFDR-JKSUJKDBSA-N 0 3 381.226 2.714 20 5 GFBDHN CN(CCCN(C)Cn1cc(Br)c([N+](=O)[O-])n1)Cc1ccco1 ZINC000795752475 658846801 /nfs/dbraw/zinc/84/68/01/658846801.db2.gz OCMSJZAGXMPMRC-UHFFFAOYSA-N 0 3 386.250 2.558 20 5 GFBDHN C[C@@](CO)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284554 658910142 /nfs/dbraw/zinc/91/01/42/658910142.db2.gz LXCZSWMRTXOMTB-SJORKVTESA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1cccc(CCNCc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894366005 663458037 /nfs/dbraw/zinc/45/80/37/663458037.db2.gz JFQYHMGFCMSTOJ-UHFFFAOYSA-N 0 3 382.873 2.874 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@H](O)CC1(CO)CCCC1 ZINC000905428415 663871109 /nfs/dbraw/zinc/87/11/09/663871109.db2.gz RDJVPATYEXPZDF-CQSZACIVSA-N 0 3 387.274 2.751 20 5 GFBDHN C[C@](CO)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495591 664908837 /nfs/dbraw/zinc/90/88/37/664908837.db2.gz FBXRCXVOIWRQLW-IAGOWNOFSA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164722151 720344392 /nfs/dbraw/zinc/34/43/92/720344392.db2.gz FGXNCFKWYLONHQ-MOPGFXCFSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721781 720373580 /nfs/dbraw/zinc/37/35/80/720373580.db2.gz BAPLPAKWXOVEEU-MOPGFXCFSA-N 0 3 376.420 2.786 20 5 GFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000162100420 551603858 /nfs/dbraw/zinc/60/38/58/551603858.db2.gz UNQHFCPODGCWIT-LBPRGKRZSA-N 0 3 383.495 2.902 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669194 552090959 /nfs/dbraw/zinc/09/09/59/552090959.db2.gz JZCYKBHHIZQLNO-LBPRGKRZSA-N 0 3 375.878 2.743 20 5 GFBDHN CN(C)C1(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000188073661 552433929 /nfs/dbraw/zinc/43/39/29/552433929.db2.gz SCTXIYCTKUTNAI-UHFFFAOYSA-N 0 3 384.274 2.843 20 5 GFBDHN COc1cc(Br)ccc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000190443570 552496385 /nfs/dbraw/zinc/49/63/85/552496385.db2.gz LHGNNMSZERZXBI-LLVKDONJSA-N 0 3 396.241 2.878 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180469 563330880 /nfs/dbraw/zinc/33/08/80/563330880.db2.gz USGDAPCDLOTMPR-HZMBPMFUSA-N 0 3 383.246 2.915 20 5 GFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000374315732 563367948 /nfs/dbraw/zinc/36/79/48/563367948.db2.gz ZJEVFWHUBRQCJW-BBRMVZONSA-N 0 3 397.317 2.820 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000285538968 563525655 /nfs/dbraw/zinc/52/56/55/563525655.db2.gz HUPVPQXJWQMBGL-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292151161 563776087 /nfs/dbraw/zinc/77/60/87/563776087.db2.gz INEKEOWSQLIIPH-MRXNPFEDSA-N 0 3 382.258 2.834 20 5 GFBDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449443075 564186603 /nfs/dbraw/zinc/18/66/03/564186603.db2.gz PBZPTKYAMOIECG-CYBMUJFWSA-N 0 3 383.495 2.741 20 5 GFBDHN CCc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000539074941 564208435 /nfs/dbraw/zinc/20/84/35/564208435.db2.gz KZDXRVVSSXFVLP-GFCCVEGCSA-N 0 3 383.495 2.848 20 5 GFBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611276 564348067 /nfs/dbraw/zinc/34/80/67/564348067.db2.gz YZRRQSIMTBXVOW-GFCCVEGCSA-N 0 3 375.878 2.791 20 5 GFBDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113907 564393926 /nfs/dbraw/zinc/39/39/26/564393926.db2.gz IXSNJLYGUAQKTG-CYBMUJFWSA-N 0 3 399.289 2.710 20 5 GFBDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000544847251 564401281 /nfs/dbraw/zinc/40/12/81/564401281.db2.gz KKOYINWHCGXXBG-UHFFFAOYSA-N 0 3 380.246 2.716 20 5 GFBDHN CC(C)[C@](C)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000520665697 564610370 /nfs/dbraw/zinc/61/03/70/564610370.db2.gz ZYDXJYCAGQSIHE-ZDUSSCGKSA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1cc(Cl)cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000574696168 564685514 /nfs/dbraw/zinc/68/55/14/564685514.db2.gz PMEKLRVDSWPUED-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387738 564699876 /nfs/dbraw/zinc/69/98/76/564699876.db2.gz JCBXXSRADCUVJA-NWDGAFQWSA-N 0 3 375.878 2.742 20 5 GFBDHN CCC(O)(CC)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582091833 564830108 /nfs/dbraw/zinc/83/01/08/564830108.db2.gz NJQOBZJBQHPHRH-UHFFFAOYSA-N 0 3 378.210 2.840 20 5 GFBDHN C[C@@H](CN(C)C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000558020776 564888779 /nfs/dbraw/zinc/88/87/79/564888779.db2.gz GHZUCKMCHGLSND-VIFPVBQESA-N 0 3 386.239 2.767 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000466970423 564952014 /nfs/dbraw/zinc/95/20/14/564952014.db2.gz CLRPEXSBICNMIS-UHFFFAOYSA-N 0 3 375.516 2.898 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000466970423 564952017 /nfs/dbraw/zinc/95/20/17/564952017.db2.gz CLRPEXSBICNMIS-UHFFFAOYSA-N 0 3 375.516 2.898 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCc2ncccc2O)c1 ZINC000562078683 565017844 /nfs/dbraw/zinc/01/78/44/565017844.db2.gz SAIJLBAKXQOMCD-UHFFFAOYSA-N 0 3 385.161 2.590 20 5 GFBDHN CN(C)CCn1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000585808109 565111999 /nfs/dbraw/zinc/11/19/99/565111999.db2.gz BBMLRCCFDWHGOZ-UHFFFAOYSA-N 0 3 397.233 2.759 20 5 GFBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059672 565187572 /nfs/dbraw/zinc/18/75/72/565187572.db2.gz PTVXUPQYQVXPFT-CQSZACIVSA-N 0 3 397.317 2.882 20 5 GFBDHN CN(C)C(=O)CCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596119965 565514316 /nfs/dbraw/zinc/51/43/16/565514316.db2.gz DVKDPABLBGPUPR-UHFFFAOYSA-N 0 3 399.289 2.712 20 5 GFBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC000602564053 565855560 /nfs/dbraw/zinc/85/55/60/565855560.db2.gz KQTXIYFXGHZXCY-ZJUUUORDSA-N 0 3 378.292 2.618 20 5 GFBDHN CC(=O)N1CCC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638215 565859998 /nfs/dbraw/zinc/85/99/98/565859998.db2.gz NULIKURPCKBLIS-SNVBAGLBSA-N 0 3 376.276 2.767 20 5 GFBDHN CC1CC[NH+](CCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736275117 599258308 /nfs/dbraw/zinc/25/83/08/599258308.db2.gz GWWUXWTWXXVFII-UHFFFAOYSA-N 0 3 396.455 2.857 20 5 GFBDHN CC1CC[NH+](CCCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736275117 599258309 /nfs/dbraw/zinc/25/83/09/599258309.db2.gz GWWUXWTWXXVFII-UHFFFAOYSA-N 0 3 396.455 2.857 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498479 607734389 /nfs/dbraw/zinc/73/43/89/607734389.db2.gz WQMDUFFPDVVGML-UHFFFAOYSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498479 607734390 /nfs/dbraw/zinc/73/43/90/607734390.db2.gz WQMDUFFPDVVGML-UHFFFAOYSA-N 0 3 385.472 2.867 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820665794 606199212 /nfs/dbraw/zinc/19/92/12/606199212.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820665794 606199213 /nfs/dbraw/zinc/19/92/13/606199213.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665794 606199214 /nfs/dbraw/zinc/19/92/14/606199214.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665794 606199215 /nfs/dbraw/zinc/19/92/15/606199215.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 0 3 394.439 2.635 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826241831 608467157 /nfs/dbraw/zinc/46/71/57/608467157.db2.gz QKTCLRGJNJQVGW-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826241831 608467158 /nfs/dbraw/zinc/46/71/58/608467158.db2.gz QKTCLRGJNJQVGW-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN O=[N+]([O-])c1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1Br ZINC000839500773 661087980 /nfs/dbraw/zinc/08/79/80/661087980.db2.gz MGHMVFCLZPHUNM-ZDUSSCGKSA-N 0 3 384.274 2.511 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858362 658861157 /nfs/dbraw/zinc/86/11/57/658861157.db2.gz WLVGWCZIFQRKKG-WDEREUQCSA-N 0 3 393.868 2.881 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809443 659940671 /nfs/dbraw/zinc/94/06/71/659940671.db2.gz XZCAIRDUTPZTLI-NWDGAFQWSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809443 659940672 /nfs/dbraw/zinc/94/06/72/659940672.db2.gz XZCAIRDUTPZTLI-NWDGAFQWSA-N 0 3 394.280 2.807 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018717 660101995 /nfs/dbraw/zinc/10/19/95/660101995.db2.gz YZMMGZGHDNXFRE-MFKMUULPSA-N 0 3 393.868 2.738 20 5 GFBDHN C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546268 661295410 /nfs/dbraw/zinc/29/54/10/661295410.db2.gz KAOFEOWLODELLK-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546268 661295414 /nfs/dbraw/zinc/29/54/14/661295414.db2.gz KAOFEOWLODELLK-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855899947 662011912 /nfs/dbraw/zinc/01/19/12/662011912.db2.gz YIGPTXUJZKWAPQ-NSHDSACASA-N 0 3 385.262 2.603 20 5 GFBDHN CN1CCN(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212224 662464587 /nfs/dbraw/zinc/46/45/87/662464587.db2.gz PUMCVAJRZRJXRI-UHFFFAOYSA-N 0 3 383.290 2.574 20 5 GFBDHN CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000889718532 663259759 /nfs/dbraw/zinc/25/97/59/663259759.db2.gz FKLSYULVVVQVGO-ZDUSSCGKSA-N 0 3 385.262 2.593 20 5 GFBDHN CC[C@H](CN1CCOCC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000896618177 663568119 /nfs/dbraw/zinc/56/81/19/663568119.db2.gz NGELCKXCSVPQOZ-SNVBAGLBSA-N 0 3 378.292 2.619 20 5 GFBDHN Cc1c(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251825 664789243 /nfs/dbraw/zinc/78/92/43/664789243.db2.gz BOWOSHBOUNXWSM-QMTHXVAHSA-N 0 3 383.246 2.834 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763230 721182871 /nfs/dbraw/zinc/18/28/71/721182871.db2.gz DUEDFZDBPZUBJK-QZTJIDSGSA-N 0 3 392.463 2.835 20 5 GFBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124457861 551314810 /nfs/dbraw/zinc/31/48/10/551314810.db2.gz FWWSTSJNDMGLFB-ZDUSSCGKSA-N 0 3 383.392 2.655 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151642689 551418738 /nfs/dbraw/zinc/41/87/38/551418738.db2.gz GOFTUDOLVNGGHF-CYBMUJFWSA-N 0 3 387.889 2.663 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276232 551536021 /nfs/dbraw/zinc/53/60/21/551536021.db2.gz JQMLCXAPBCMVLY-IAQYHMDHSA-N 0 3 382.258 2.914 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246067 552080769 /nfs/dbraw/zinc/08/07/69/552080769.db2.gz HPBPPBHJEXYSIB-IINYFYTJSA-N 0 3 375.878 2.517 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188260724 552440884 /nfs/dbraw/zinc/44/08/84/552440884.db2.gz YCEGLRXJOSSSGS-UHFFFAOYSA-N 0 3 375.878 2.745 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCSC1 ZINC000431492379 563561563 /nfs/dbraw/zinc/56/15/63/563561563.db2.gz CSVSLCUSEQTJBL-CQSZACIVSA-N 0 3 388.287 2.524 20 5 GFBDHN CN1CCC2(CCCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000366825724 563820967 /nfs/dbraw/zinc/82/09/67/563820967.db2.gz QXXKVNWDGLLMLX-UHFFFAOYSA-N 0 3 387.889 2.745 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000445079400 563842937 /nfs/dbraw/zinc/84/29/37/563842937.db2.gz WFRZTSHVGTVSPC-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN C[C@](O)(CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000563617867 564199328 /nfs/dbraw/zinc/19/93/28/564199328.db2.gz VFLSOVWHRSRIRX-NSHDSACASA-N 0 3 375.269 2.928 20 5 GFBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580392 564346614 /nfs/dbraw/zinc/34/66/14/564346614.db2.gz UFGKSSBRNPZYOD-LBPRGKRZSA-N 0 3 375.878 2.791 20 5 GFBDHN CC(C)[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516606385 564506988 /nfs/dbraw/zinc/50/69/88/564506988.db2.gz KBXUEGKXHSVAHQ-CYBMUJFWSA-N 0 3 378.210 2.696 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387734 564700074 /nfs/dbraw/zinc/70/00/74/564700074.db2.gz JCBXXSRADCUVJA-NEPJUHHUSA-N 0 3 375.878 2.742 20 5 GFBDHN CO[C@@H]1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890451 564752875 /nfs/dbraw/zinc/75/28/75/564752875.db2.gz UXRCFTZGZJNVCV-WCQYABFASA-N 0 3 376.194 2.857 20 5 GFBDHN C[C@H]1CCC[C@@]1(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636566 564800682 /nfs/dbraw/zinc/80/06/82/564800682.db2.gz WEKWSWLVWYBILI-IINYFYTJSA-N 0 3 390.221 2.840 20 5 GFBDHN C[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000594712262 565410942 /nfs/dbraw/zinc/41/09/42/565410942.db2.gz ULAIMAAXSGPSCL-LLVKDONJSA-N 0 3 393.241 2.833 20 5 GFBDHN Cc1cncc(CCNCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000594994875 565441400 /nfs/dbraw/zinc/44/14/00/565441400.db2.gz OCLPYGHSQOCSGS-UHFFFAOYSA-N 0 3 398.204 2.630 20 5 GFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716732 565572186 /nfs/dbraw/zinc/57/21/86/565572186.db2.gz SVNYRFOYYGNJSJ-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN O=[N+]([O-])c1sc(CNCCCCN2CCOCC2)cc1Br ZINC000602515510 565852958 /nfs/dbraw/zinc/85/29/58/565852958.db2.gz XEEKKERLHLTKFA-UHFFFAOYSA-N 0 3 378.292 2.621 20 5 GFBDHN O=[N+]([O-])c1sc(CNCCCOC[C@@H]2CCOC2)cc1Br ZINC000602561283 565855401 /nfs/dbraw/zinc/85/54/01/565855401.db2.gz XNXIVRNFKIJHQN-JTQLQIEISA-N 0 3 379.276 2.952 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738360324 598944816 /nfs/dbraw/zinc/94/48/16/598944816.db2.gz VPHMMAQGSBKNFW-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738360324 598944817 /nfs/dbraw/zinc/94/48/17/598944817.db2.gz VPHMMAQGSBKNFW-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821197414 599320385 /nfs/dbraw/zinc/32/03/85/599320385.db2.gz KVZALMGHPJCDPV-UHFFFAOYSA-N 0 3 382.428 2.624 20 5 GFBDHN CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821197414 599320388 /nfs/dbraw/zinc/32/03/88/599320388.db2.gz KVZALMGHPJCDPV-UHFFFAOYSA-N 0 3 382.428 2.624 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000823630474 599432141 /nfs/dbraw/zinc/43/21/41/599432141.db2.gz XLWLOBRLYURDDV-UHFFFAOYSA-N 0 3 379.424 2.983 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000823630474 599432143 /nfs/dbraw/zinc/43/21/43/599432143.db2.gz XLWLOBRLYURDDV-UHFFFAOYSA-N 0 3 379.424 2.983 20 5 GFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573482 661092918 /nfs/dbraw/zinc/09/29/18/661092918.db2.gz BALYTFXNGYMDDO-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292819435 655354828 /nfs/dbraw/zinc/35/48/28/655354828.db2.gz NVBZZSQCEOIPCI-MRXNPFEDSA-N 0 3 387.889 2.663 20 5 GFBDHN CN(C)CCn1nccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000294127152 655365307 /nfs/dbraw/zinc/36/53/07/655365307.db2.gz PYKJBXVBMUIVMY-UHFFFAOYSA-N 0 3 383.861 2.737 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000752231559 655841019 /nfs/dbraw/zinc/84/10/19/655841019.db2.gz JMEKTMOQLHYPOT-UHFFFAOYSA-N 0 3 375.878 2.711 20 5 GFBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000754637706 655870676 /nfs/dbraw/zinc/87/06/76/655870676.db2.gz XJPMYUWUGTUAOT-LLVKDONJSA-N 0 3 386.221 2.807 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000770427495 656319047 /nfs/dbraw/zinc/31/90/47/656319047.db2.gz PNNGSGJMXNRJGX-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421499 658094924 /nfs/dbraw/zinc/09/49/24/658094924.db2.gz NLBZHMPPBIYKPE-SECBINFHSA-N 0 3 384.285 2.910 20 5 GFBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421499 658094930 /nfs/dbraw/zinc/09/49/30/658094930.db2.gz NLBZHMPPBIYKPE-SECBINFHSA-N 0 3 384.285 2.910 20 5 GFBDHN C[C@](CO)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284552 658910020 /nfs/dbraw/zinc/91/00/20/658910020.db2.gz LXCZSWMRTXOMTB-IAGOWNOFSA-N 0 3 395.253 2.888 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000805112893 659742152 /nfs/dbraw/zinc/74/21/52/659742152.db2.gz FIDRGKADEZDKOZ-JSGCOSHPSA-N 0 3 387.889 2.804 20 5 GFBDHN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013713 660101429 /nfs/dbraw/zinc/10/14/29/660101429.db2.gz XVBLVQLMEZGRNY-JTQLQIEISA-N 0 3 379.841 2.540 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020267 660102458 /nfs/dbraw/zinc/10/24/58/660102458.db2.gz WAUZTDLLGJESGQ-WDEREUQCSA-N 0 3 393.868 2.881 20 5 GFBDHN CC([C@H](OC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877428 661502984 /nfs/dbraw/zinc/50/29/84/661502984.db2.gz PRLNXOAACUCYNU-XPTSAGLGSA-N 0 3 387.410 2.854 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(Br)nn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879328 661503306 /nfs/dbraw/zinc/50/33/06/661503306.db2.gz IPNBNFOXURXGCV-AMIZOPFISA-N 0 3 386.177 2.885 20 5 GFBDHN CC(COC(=O)Cc1ccc(Br)c(Br)c1)[N+](=O)[O-] ZINC000851036362 661803383 /nfs/dbraw/zinc/80/33/83/661803383.db2.gz IFSMJZQFXHWHBA-SSDOTTSWSA-N 0 3 381.020 2.963 20 5 GFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839567 662838111 /nfs/dbraw/zinc/83/81/11/662838111.db2.gz WYYVOKJDUSIWGG-VXGBXAGGSA-N 0 3 386.221 2.805 20 5 GFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839565 662838178 /nfs/dbraw/zinc/83/81/78/662838178.db2.gz WYYVOKJDUSIWGG-NWDGAFQWSA-N 0 3 386.221 2.805 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000882047265 663014854 /nfs/dbraw/zinc/01/48/54/663014854.db2.gz QDKJWPZQHCDRJK-LBPRGKRZSA-N 0 3 389.905 2.907 20 5 GFBDHN O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897219743 663595197 /nfs/dbraw/zinc/59/51/97/663595197.db2.gz NOHJSBVHOURSGW-CHWSQXEVSA-N 0 3 388.237 2.532 20 5 GFBDHN C[C@]1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374953 664283731 /nfs/dbraw/zinc/28/37/31/664283731.db2.gz RWXWQECZYNOPTM-INIZCTEOSA-N 0 3 382.258 2.500 20 5 GFBDHN COc1ccc(CNCC2(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000922803304 664615082 /nfs/dbraw/zinc/61/50/82/664615082.db2.gz UYGUONAEZHIHLS-UHFFFAOYSA-N 0 3 381.230 2.841 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122400083 551297520 /nfs/dbraw/zinc/29/75/20/551297520.db2.gz HBZAUZNCFMGFML-OCCSQVGLSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000127563713 551342074 /nfs/dbraw/zinc/34/20/74/551342074.db2.gz MPFPOYJDHSPWNU-ZYHUDNBSSA-N 0 3 382.258 2.641 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072325 551623907 /nfs/dbraw/zinc/62/39/07/551623907.db2.gz COBJBFIJPIUEHK-TZMCWYRMSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173633337 552089933 /nfs/dbraw/zinc/08/99/33/552089933.db2.gz PQMMNEUJLXPXOW-CYBMUJFWSA-N 0 3 387.889 2.745 20 5 GFBDHN CC(C)(C)[C@@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183684298 552316954 /nfs/dbraw/zinc/31/69/54/552316954.db2.gz FZAZQZLTGKGDMJ-CYBMUJFWSA-N 0 3 388.262 2.683 20 5 GFBDHN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCNCC1 ZINC000237810096 553082398 /nfs/dbraw/zinc/08/23/98/553082398.db2.gz BRVIUIXJLZUCIY-UHFFFAOYSA-N 0 3 384.223 2.523 20 5 GFBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000295253892 563238256 /nfs/dbraw/zinc/23/82/56/563238256.db2.gz FINTZLBHMMICOH-LLVKDONJSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCCC2(O)CCC2)c1 ZINC000421381292 563308470 /nfs/dbraw/zinc/30/84/70/563308470.db2.gz KGVIWEINCFANTR-UHFFFAOYSA-N 0 3 390.221 2.984 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000425408136 563420572 /nfs/dbraw/zinc/42/05/72/563420572.db2.gz SHWZBPCFRKYGDQ-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729791 563452158 /nfs/dbraw/zinc/45/21/58/563452158.db2.gz STWQBZUJRSBWNJ-TVQRCGJNSA-N 0 3 386.221 2.663 20 5 GFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563119 563510982 /nfs/dbraw/zinc/51/09/82/563510982.db2.gz JURMAPWUJLTJGZ-NEPJUHHUSA-N 0 3 399.289 2.710 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000408001174 563541382 /nfs/dbraw/zinc/54/13/82/563541382.db2.gz AVIAMLCLYAENOC-PWSUYJOCSA-N 0 3 382.258 2.974 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000331581261 563553466 /nfs/dbraw/zinc/55/34/66/563553466.db2.gz WPYTZOQNSXGLJK-RFAUZJTJSA-N 0 3 382.258 2.878 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332103489 563576350 /nfs/dbraw/zinc/57/63/50/563576350.db2.gz ZAQAZGHVGLPCHJ-SWLSCSKDSA-N 0 3 387.889 2.804 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000537941808 564178523 /nfs/dbraw/zinc/17/85/23/564178523.db2.gz DMLSKVHMMQKPGZ-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000450266600 564225056 /nfs/dbraw/zinc/22/50/56/564225056.db2.gz RVNPGKIPCFVWAH-CHWSQXEVSA-N 0 3 377.388 2.731 20 5 GFBDHN C[C@@H](N(C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038933 564488590 /nfs/dbraw/zinc/48/85/90/564488590.db2.gz JEQIHUBNDZZRJZ-SECBINFHSA-N 0 3 378.210 2.791 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC[C@H]2CCO)c1 ZINC000571927358 564572871 /nfs/dbraw/zinc/57/28/71/564572871.db2.gz ABUYMSKBXCRYOR-SMDDNHRTSA-N 0 3 390.221 2.840 20 5 GFBDHN CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000487953348 564699664 /nfs/dbraw/zinc/69/96/64/564699664.db2.gz KFUWVKXNRGQHNM-OAHLLOKOSA-N 0 3 399.289 2.568 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387739 564699753 /nfs/dbraw/zinc/69/97/53/564699753.db2.gz JCBXXSRADCUVJA-RYUDHWBXSA-N 0 3 375.878 2.742 20 5 GFBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000577303233 564733561 /nfs/dbraw/zinc/73/35/61/564733561.db2.gz LLJICJQOAYLBJT-COLVAYQJSA-N 0 3 386.905 2.553 20 5 GFBDHN Cc1cc(Cl)ccc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000463740968 564888817 /nfs/dbraw/zinc/88/88/17/564888817.db2.gz HJNUPNKXVGBXRG-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CN(CCN(C)C1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460329 564901953 /nfs/dbraw/zinc/90/19/53/564901953.db2.gz XRQRGYXRKZLGNN-UHFFFAOYSA-N 0 3 389.237 2.725 20 5 GFBDHN CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000613916373 565085606 /nfs/dbraw/zinc/08/56/06/565085606.db2.gz AHZGZMLHTAHTAT-STQMWFEESA-N 0 3 387.303 2.768 20 5 GFBDHN CC(C)[C@H](CO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584689920 565091883 /nfs/dbraw/zinc/09/18/83/565091883.db2.gz LYVKWNBAPIORRA-NSHDSACASA-N 0 3 378.210 2.554 20 5 GFBDHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789686 565421353 /nfs/dbraw/zinc/42/13/53/565421353.db2.gz KBVNFTNQQRKIDE-NSHDSACASA-N 0 3 375.878 2.647 20 5 GFBDHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789686 565421358 /nfs/dbraw/zinc/42/13/58/565421358.db2.gz KBVNFTNQQRKIDE-NSHDSACASA-N 0 3 375.878 2.647 20 5 GFBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC000602564048 565855040 /nfs/dbraw/zinc/85/50/40/565855040.db2.gz KQTXIYFXGHZXCY-UWVGGRQHSA-N 0 3 378.292 2.618 20 5 GFBDHN CC(=O)N1CCC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638214 565859104 /nfs/dbraw/zinc/85/91/04/565859104.db2.gz NULIKURPCKBLIS-JTQLQIEISA-N 0 3 376.276 2.767 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426507 608370574 /nfs/dbraw/zinc/37/05/74/608370574.db2.gz GTLSLSIVKIIKNM-CYBMUJFWSA-N 0 3 396.455 2.857 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426507 608370576 /nfs/dbraw/zinc/37/05/76/608370576.db2.gz GTLSLSIVKIIKNM-CYBMUJFWSA-N 0 3 396.455 2.857 20 5 GFBDHN CCCN1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000061035317 654835640 /nfs/dbraw/zinc/83/56/40/654835640.db2.gz JHKWMYKAPCARQL-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN CCN(CC)[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266209498 654863304 /nfs/dbraw/zinc/86/33/04/654863304.db2.gz MJEMUEQAKOKGJR-LLVKDONJSA-N 0 3 377.413 2.512 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522381 655351971 /nfs/dbraw/zinc/35/19/71/655351971.db2.gz WKJXTEFRBHZQKK-GDBMZVCRSA-N 0 3 382.873 2.672 20 5 GFBDHN C[C@@H](Cn1cccn1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000577376347 655458171 /nfs/dbraw/zinc/45/81/71/655458171.db2.gz YITRBEMXQCPNDS-JTQLQIEISA-N 0 3 386.193 2.574 20 5 GFBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702630 657252483 /nfs/dbraw/zinc/25/24/83/657252483.db2.gz XIRYTRRNMZQUGW-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791421153 658095021 /nfs/dbraw/zinc/09/50/21/658095021.db2.gz ICDXNVYZWRSPEC-VIFPVBQESA-N 0 3 382.269 2.616 20 5 GFBDHN O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000815290666 660119944 /nfs/dbraw/zinc/11/99/44/660119944.db2.gz MNDPTECGCQSCTQ-HZPDHXFCSA-N 0 3 385.258 2.767 20 5 GFBDHN O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000815290667 660119964 /nfs/dbraw/zinc/11/99/64/660119964.db2.gz MNDPTECGCQSCTQ-JKSUJKDBSA-N 0 3 385.258 2.767 20 5 GFBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310483 662541280 /nfs/dbraw/zinc/54/12/80/662541280.db2.gz ZPFIEJHGXWKIOA-GZMMTYOYSA-N 0 3 382.269 2.615 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874833454 662837878 /nfs/dbraw/zinc/83/78/78/662837878.db2.gz NBGVBAMHFFSCFH-ZIAGYGMSSA-N 0 3 382.258 2.974 20 5 GFBDHN CCN1CCN(CCNc2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881796661 663003778 /nfs/dbraw/zinc/00/37/78/663003778.db2.gz FLTJGOQZJNBJEW-UHFFFAOYSA-N 0 3 375.242 2.546 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762110 721115940 /nfs/dbraw/zinc/11/59/40/721115940.db2.gz BYAMSYIXXAHPNX-DLBZAZTESA-N 0 3 392.463 2.835 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000359978409 209208703 /nfs/dbraw/zinc/20/87/03/209208703.db2.gz ZTAUQSFCAGYBFF-HUUCEWRRSA-N 0 3 378.812 2.968 20 5 GFBDHN CN1CCN([C@@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127037989 551335973 /nfs/dbraw/zinc/33/59/73/551335973.db2.gz RKLZHLCFZSVHOD-OAHLLOKOSA-N 0 3 397.317 2.964 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(Cl)c1 ZINC000173631558 552089397 /nfs/dbraw/zinc/08/93/97/552089397.db2.gz MLGLRQCSLNBKPK-ZDUSSCGKSA-N 0 3 387.889 2.745 20 5 GFBDHN CN(C)C1(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000186972075 552403325 /nfs/dbraw/zinc/40/33/25/552403325.db2.gz PYNNFSWPXYWEBT-UHFFFAOYSA-N 0 3 399.289 2.712 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246165001 553103322 /nfs/dbraw/zinc/10/33/22/553103322.db2.gz MCMJQCIIGFPDAZ-WCQYABFASA-N 0 3 375.878 2.599 20 5 GFBDHN CN1CCC2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1=O ZINC000369798002 563225645 /nfs/dbraw/zinc/22/56/45/563225645.db2.gz AMCGVXPRKXVAGC-UHFFFAOYSA-N 0 3 382.258 2.802 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425065130 563402627 /nfs/dbraw/zinc/40/26/27/563402627.db2.gz KEOZQEAVOFKUHE-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330557335 563511111 /nfs/dbraw/zinc/51/11/11/563511111.db2.gz WPQXDJKUTYMXMW-OLZOCXBDSA-N 0 3 377.388 2.731 20 5 GFBDHN CN1CCC(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000286228507 563552853 /nfs/dbraw/zinc/55/28/53/563552853.db2.gz MAJYIGJUNPFCLB-UHFFFAOYSA-N 0 3 382.258 2.584 20 5 GFBDHN C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000290979198 563728524 /nfs/dbraw/zinc/72/85/24/563728524.db2.gz YJQLIVYSQPBQKQ-LBPRGKRZSA-N 0 3 375.300 2.875 20 5 GFBDHN CCN1CCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291406598 563742558 /nfs/dbraw/zinc/74/25/58/563742558.db2.gz FEENLUKGHGHUJN-UHFFFAOYSA-N 0 3 389.283 2.659 20 5 GFBDHN CC1(C)OCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449415949 564185966 /nfs/dbraw/zinc/18/59/66/564185966.db2.gz QMISSBQPDVPKEK-LBPRGKRZSA-N 0 3 376.194 2.857 20 5 GFBDHN CCN(CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000472238072 564217377 /nfs/dbraw/zinc/21/73/77/564217377.db2.gz FQPSZHAITHHONX-UHFFFAOYSA-N 0 3 383.246 2.955 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(Br)c1 ZINC000567678666 564381923 /nfs/dbraw/zinc/38/19/23/564381923.db2.gz YZYQPSMWCXURFC-CQSZACIVSA-N 0 3 381.226 2.887 20 5 GFBDHN CN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000573858629 564657108 /nfs/dbraw/zinc/65/71/08/564657108.db2.gz ZWEZPVPDFNRUBG-UHFFFAOYSA-N 0 3 389.237 2.725 20 5 GFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264937 564679084 /nfs/dbraw/zinc/67/90/84/564679084.db2.gz JJOKWIAXAFGSOF-CQSZACIVSA-N 0 3 399.289 2.712 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467406842 564962374 /nfs/dbraw/zinc/96/23/74/564962374.db2.gz LHGYVSAMSMHCFZ-VXGBXAGGSA-N 0 3 375.516 2.611 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000501491006 564981116 /nfs/dbraw/zinc/98/11/16/564981116.db2.gz LDUBVBXJTMZTDZ-OAHLLOKOSA-N 0 3 380.853 2.779 20 5 GFBDHN Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000503591980 565023947 /nfs/dbraw/zinc/02/39/47/565023947.db2.gz KWBDMVXBVCBMGN-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CS[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000537925163 565064372 /nfs/dbraw/zinc/06/43/72/565064372.db2.gz MKCHNQRMBZPVMO-UKRRQHHQSA-N 0 3 387.889 2.521 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCC2(CO)CCC2)c1 ZINC000593693276 565357447 /nfs/dbraw/zinc/35/74/47/565357447.db2.gz KJQYOGCCDNVICM-UHFFFAOYSA-N 0 3 390.221 2.842 20 5 GFBDHN CC1(C)C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000594953885 565436922 /nfs/dbraw/zinc/43/69/22/565436922.db2.gz KGJKGQSLUMVYHS-NSHDSACASA-N 0 3 376.194 2.857 20 5 GFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111224 565514064 /nfs/dbraw/zinc/51/40/64/565514064.db2.gz YDXPNNADQXGICA-CQSZACIVSA-N 0 3 399.289 2.712 20 5 GFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714842 565571836 /nfs/dbraw/zinc/57/18/36/565571836.db2.gz KDMAYWQHCGDHDW-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000602584233 565856346 /nfs/dbraw/zinc/85/63/46/565856346.db2.gz YSSUCEINBWBBCB-RNCFNFMXSA-N 0 3 377.260 2.847 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135167 566068306 /nfs/dbraw/zinc/06/83/06/566068306.db2.gz LWFGSBSDSAUNPN-YPMHNXCESA-N 0 3 375.878 2.742 20 5 GFBDHN C[NH+](C)Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029964471 654581116 /nfs/dbraw/zinc/58/11/16/654581116.db2.gz FLQOIUNBRDTCIM-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000267908116 654951482 /nfs/dbraw/zinc/95/14/82/654951482.db2.gz BYMHPGWUOFEGAR-WPRPVWTQSA-N 0 3 386.221 2.851 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000273525556 655146405 /nfs/dbraw/zinc/14/64/05/655146405.db2.gz PHBJGIBFXCEXBU-NSHDSACASA-N 0 3 375.878 2.599 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115585411 655239606 /nfs/dbraw/zinc/23/96/06/655239606.db2.gz RVIWRBLLRDPQOO-LBPRGKRZSA-N 0 3 375.878 2.519 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCC(F)F)c1 ZINC000289425466 655348878 /nfs/dbraw/zinc/34/88/78/655348878.db2.gz DATYVZOXKPKMOL-UHFFFAOYSA-N 0 3 386.136 2.571 20 5 GFBDHN CCCN1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984521 655590393 /nfs/dbraw/zinc/59/03/93/655590393.db2.gz LIGMVPXJUOJHTG-LLVKDONJSA-N 0 3 377.413 2.735 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893719 655700415 /nfs/dbraw/zinc/70/04/15/655700415.db2.gz BSWAOAOUZUOSSU-DGCLKSJQSA-N 0 3 375.878 2.742 20 5 GFBDHN CCCN1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000775592230 656651875 /nfs/dbraw/zinc/65/18/75/656651875.db2.gz HDLGUEUAQCYXDC-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC(C)CC1 ZINC000798166325 659077922 /nfs/dbraw/zinc/07/79/22/659077922.db2.gz VSBDPOAJPTZZDD-LLVKDONJSA-N 0 3 385.262 2.603 20 5 GFBDHN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108937 660043920 /nfs/dbraw/zinc/04/39/20/660043920.db2.gz MPYLXKYPNWQVBO-RYUDHWBXSA-N 0 3 375.468 2.559 20 5 GFBDHN COc1cc(I)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103212 660043995 /nfs/dbraw/zinc/04/39/95/660043995.db2.gz YXBBWJDWPYLHNP-ZCFIWIBFSA-N 0 3 399.568 2.775 20 5 GFBDHN CC([C@@H](OC(=O)c1cnn(C)c1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845874298 661502503 /nfs/dbraw/zinc/50/25/03/661502503.db2.gz GZAJZCNPAMKATQ-PRHODGIISA-N 0 3 386.177 2.885 20 5 GFBDHN CN(CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CCC1 ZINC000863914805 662349920 /nfs/dbraw/zinc/34/99/20/662349920.db2.gz VZTITHSKCNYVNF-UHFFFAOYSA-N 0 3 382.258 2.726 20 5 GFBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309049 662541110 /nfs/dbraw/zinc/54/11/10/662541110.db2.gz PZNWAIRIMJZNGJ-PSASIEDQSA-N 0 3 382.269 2.615 20 5 GFBDHN C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000868607105 662611840 /nfs/dbraw/zinc/61/18/40/662611840.db2.gz MKAGWQUYLNKHSF-LBPRGKRZSA-N 0 3 396.285 2.843 20 5 GFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869226632 662636375 /nfs/dbraw/zinc/63/63/75/662636375.db2.gz YBNHDVMVVUAADG-GFCCVEGCSA-N 0 3 384.274 2.889 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874833453 662837852 /nfs/dbraw/zinc/83/78/52/662837852.db2.gz NBGVBAMHFFSCFH-UONOGXRCSA-N 0 3 382.258 2.974 20 5 GFBDHN CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000889726744 663261422 /nfs/dbraw/zinc/26/14/22/663261422.db2.gz UVORQEHNRXDPJO-AWEZNQCLSA-N 0 3 397.273 2.735 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnc(Br)cn3)CC2)cc1 ZINC000895407918 663512551 /nfs/dbraw/zinc/51/25/51/663512551.db2.gz JCJVVHZFYJFVDX-UHFFFAOYSA-N 0 3 392.257 2.906 20 5 GFBDHN O=C(OCc1cccc([N+](=O)[O-])c1Br)C1CCCN(C2CC2)C1=O ZINC000924055063 664645846 /nfs/dbraw/zinc/64/58/46/664645846.db2.gz WKFHXTGTNBMCKD-LBPRGKRZSA-N 0 3 397.225 2.802 20 5 GFBDHN c1cnc2c(c1)ccc1ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742360 720654805 /nfs/dbraw/zinc/65/48/05/720654805.db2.gz MZZCZBPOSMLTFY-RBUKOAKNSA-N 0 3 398.470 2.915 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CCN(C2CC2)CC1 ZINC000152518511 551434743 /nfs/dbraw/zinc/43/47/43/551434743.db2.gz NXFXXMSRNIMYLY-UHFFFAOYSA-N 0 3 382.258 2.643 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669180 552091099 /nfs/dbraw/zinc/09/10/99/552091099.db2.gz JZCYKBHHIZQLNO-GFCCVEGCSA-N 0 3 375.878 2.743 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677319 553094878 /nfs/dbraw/zinc/09/48/78/553094878.db2.gz IGXHHLZZXSNEAR-NHYWBVRUSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c(Br)c1 ZINC000301494857 563404981 /nfs/dbraw/zinc/40/49/81/563404981.db2.gz AFPOHUFASITRMI-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000425411355 563421773 /nfs/dbraw/zinc/42/17/73/563421773.db2.gz ARTCHVMXTVZGFH-ZDUSSCGKSA-N 0 3 384.274 2.511 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285097814 563503057 /nfs/dbraw/zinc/50/30/57/563503057.db2.gz KYGYKAOXJHNPKV-UHFFFAOYSA-N 0 3 393.868 2.881 20 5 GFBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1N(C)C ZINC000542509315 564316622 /nfs/dbraw/zinc/31/66/22/564316622.db2.gz VSFBOGGYCSWZIR-MNOVXSKESA-N 0 3 375.292 2.543 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc(Br)c1 ZINC000567678665 564382536 /nfs/dbraw/zinc/38/25/36/564382536.db2.gz YZYQPSMWCXURFC-AWEZNQCLSA-N 0 3 381.226 2.887 20 5 GFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCO[C@H]21 ZINC000519079596 564569140 /nfs/dbraw/zinc/56/91/40/564569140.db2.gz PCTQICAEAOXHIT-VCTAVGKDSA-N 0 3 398.257 2.699 20 5 GFBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000577303237 564733754 /nfs/dbraw/zinc/73/37/54/564733754.db2.gz LLJICJQOAYLBJT-NZVBXONLSA-N 0 3 386.905 2.553 20 5 GFBDHN C[C@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCCOC1 ZINC000554972042 564780178 /nfs/dbraw/zinc/78/01/78/564780178.db2.gz UHNFPLSROYANEQ-ZDUSSCGKSA-N 0 3 376.194 2.858 20 5 GFBDHN Cc1cc(Cl)ccc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000463740592 564888744 /nfs/dbraw/zinc/88/87/44/564888744.db2.gz DSHRZOBCHHILPL-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CN(CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000536377853 565035944 /nfs/dbraw/zinc/03/59/44/565035944.db2.gz JTKLSIIHJFWGCR-UHFFFAOYSA-N 0 3 396.241 2.530 20 5 GFBDHN CCN1CCC[C@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309141 565160566 /nfs/dbraw/zinc/16/05/66/565160566.db2.gz DSVVCBYKLZEMEP-ZDUSSCGKSA-N 0 3 389.237 2.773 20 5 GFBDHN CN(CCN1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593883476 565366353 /nfs/dbraw/zinc/36/63/53/565366353.db2.gz NJAPRTCTNFGRKH-UHFFFAOYSA-N 0 3 384.274 2.844 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599413545 565677375 /nfs/dbraw/zinc/67/73/75/565677375.db2.gz ZTQSZEISDLVIRS-GFCCVEGCSA-N 0 3 375.878 2.567 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000602584234 565856688 /nfs/dbraw/zinc/85/66/88/565856688.db2.gz YSSUCEINBWBBCB-TVQRCGJNSA-N 0 3 377.260 2.847 20 5 GFBDHN CC(C)C[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735835510 599263664 /nfs/dbraw/zinc/26/36/64/599263664.db2.gz JEGMWJQYKFPVCN-UHFFFAOYSA-N 0 3 396.455 2.855 20 5 GFBDHN CC(C)C[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735835510 599263666 /nfs/dbraw/zinc/26/36/66/599263666.db2.gz JEGMWJQYKFPVCN-UHFFFAOYSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](C[NH+]1CCCCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262482 606451415 /nfs/dbraw/zinc/45/14/15/606451415.db2.gz WVEHTPDDTIZOGW-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H](C[NH+]1CCCCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262482 606451417 /nfs/dbraw/zinc/45/14/17/606451417.db2.gz WVEHTPDDTIZOGW-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225582 607083685 /nfs/dbraw/zinc/08/36/85/607083685.db2.gz LZJRMNSGLGDVOL-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225582 607083688 /nfs/dbraw/zinc/08/36/88/607083688.db2.gz LZJRMNSGLGDVOL-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN CSc1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081224 655215731 /nfs/dbraw/zinc/21/57/31/655215731.db2.gz FHJUHGIDHSLXPR-GDBMZVCRSA-N 0 3 381.523 2.969 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCN(C2CC2)CC1 ZINC000176126904 655235904 /nfs/dbraw/zinc/23/59/04/655235904.db2.gz DRTFXSQJLDEQCS-UHFFFAOYSA-N 0 3 382.258 2.597 20 5 GFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000177999691 655294682 /nfs/dbraw/zinc/29/46/82/655294682.db2.gz ASTOWRREKHNBEN-GFCCVEGCSA-N 0 3 383.495 2.902 20 5 GFBDHN C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CN1CCCC1 ZINC000731978944 655590439 /nfs/dbraw/zinc/59/04/39/655590439.db2.gz DDRPEMVPMOEJDK-LLVKDONJSA-N 0 3 377.413 2.735 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000769525051 656279417 /nfs/dbraw/zinc/27/94/17/656279417.db2.gz ONBTWWJBNZWJCJ-CYBMUJFWSA-N 0 3 384.274 2.511 20 5 GFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H](C)C1 ZINC000798160509 659076958 /nfs/dbraw/zinc/07/69/58/659076958.db2.gz KWHPOCMQEWPYOJ-QWRGUYRKSA-N 0 3 385.262 2.603 20 5 GFBDHN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108936 660043984 /nfs/dbraw/zinc/04/39/84/660043984.db2.gz MPYLXKYPNWQVBO-NWDGAFQWSA-N 0 3 375.468 2.559 20 5 GFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727392 662038868 /nfs/dbraw/zinc/03/88/68/662038868.db2.gz LXQXYAJQVFLYQU-AWEZNQCLSA-N 0 3 399.289 2.712 20 5 GFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572625 664829148 /nfs/dbraw/zinc/82/91/48/664829148.db2.gz QAZXPIHOEBNOTO-GZMMTYOYSA-N 0 3 377.203 2.949 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763229 721182721 /nfs/dbraw/zinc/18/27/21/721182721.db2.gz DUEDFZDBPZUBJK-MSOLQXFVSA-N 0 3 392.463 2.835 20 5 GFBDHN C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)O ZINC000289640415 563681627 /nfs/dbraw/zinc/68/16/27/563681627.db2.gz XPQQILJMKUOIBK-ZJUUUORDSA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000146245833 551397479 /nfs/dbraw/zinc/39/74/79/551397479.db2.gz AMUJTDULLAKEHY-CYBMUJFWSA-N 0 3 387.889 2.806 20 5 GFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003202 551444720 /nfs/dbraw/zinc/44/47/20/551444720.db2.gz OOKSFJCNZQZLQK-ABAIWWIYSA-N 0 3 384.274 2.698 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255769 552081050 /nfs/dbraw/zinc/08/10/50/552081050.db2.gz NLZCDYLQYYRBJR-YPMHNXCESA-N 0 3 375.878 2.599 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665518 552090702 /nfs/dbraw/zinc/09/07/02/552090702.db2.gz OPESJXSWRRTPHM-ZDUSSCGKSA-N 0 3 375.878 2.743 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176672259 552143462 /nfs/dbraw/zinc/14/34/62/552143462.db2.gz NBWUMTGPGUIRTH-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN CN1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484754 563250467 /nfs/dbraw/zinc/25/04/67/563250467.db2.gz CJJCUEABFCDXDO-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN CN(C)[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591365 563408217 /nfs/dbraw/zinc/40/82/17/563408217.db2.gz QUKOYYRSGWOFFE-MNOVXSKESA-N 0 3 377.413 2.876 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CCCCC2)C1 ZINC000332650317 563609714 /nfs/dbraw/zinc/60/97/14/563609714.db2.gz LDYTXTBHFRAURA-OAHLLOKOSA-N 0 3 396.285 2.987 20 5 GFBDHN C[C@@H](CO)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289588367 563680146 /nfs/dbraw/zinc/68/01/46/563680146.db2.gz TYGAYHGKYZQGJB-SNVBAGLBSA-N 0 3 378.210 2.698 20 5 GFBDHN C[C@H](O)C[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640404 563681554 /nfs/dbraw/zinc/68/15/54/563681554.db2.gz XPQQILJMKUOIBK-UWVGGRQHSA-N 0 3 378.210 2.696 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCSC1 ZINC000293266273 563806184 /nfs/dbraw/zinc/80/61/84/563806184.db2.gz QHQNWZMAUNCUGM-CQSZACIVSA-N 0 3 377.388 2.781 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCCC[C@H]2O)c1 ZINC000449599529 564190632 /nfs/dbraw/zinc/19/06/32/564190632.db2.gz GUTRQDVEISBWOM-SMDDNHRTSA-N 0 3 390.221 2.840 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000539044866 564208888 /nfs/dbraw/zinc/20/88/88/564208888.db2.gz XONLDTHTXWOFNC-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481217989 564505823 /nfs/dbraw/zinc/50/58/23/564505823.db2.gz HDJJPVKZHQEXLA-MRXNPFEDSA-N 0 3 387.889 2.571 20 5 GFBDHN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000570917453 564527211 /nfs/dbraw/zinc/52/72/11/564527211.db2.gz FCFKZUZQODJEEC-LBPRGKRZSA-N 0 3 383.495 2.865 20 5 GFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCO[C@H]21 ZINC000519079591 564569331 /nfs/dbraw/zinc/56/93/31/564569331.db2.gz PCTQICAEAOXHIT-COLVAYQJSA-N 0 3 398.257 2.699 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000498871465 564911149 /nfs/dbraw/zinc/91/11/49/564911149.db2.gz CZPWOAUHJDGLJL-LLVKDONJSA-N 0 3 375.878 2.599 20 5 GFBDHN Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068819 564954676 /nfs/dbraw/zinc/95/46/76/564954676.db2.gz MWPKTNKUMIYTHN-JSGCOSHPSA-N 0 3 385.511 2.602 20 5 GFBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000561700940 565006433 /nfs/dbraw/zinc/00/64/33/565006433.db2.gz ILYQRPKFSLRZNN-UHFFFAOYSA-N 0 3 396.245 2.700 20 5 GFBDHN CCNC(=O)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602633608 565859306 /nfs/dbraw/zinc/85/93/06/565859306.db2.gz ZPJWXVNAFHSMRF-UHFFFAOYSA-N 0 3 376.276 2.815 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267831 598869729 /nfs/dbraw/zinc/86/97/29/598869729.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267831 598869731 /nfs/dbraw/zinc/86/97/31/598869731.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267831 598869732 /nfs/dbraw/zinc/86/97/32/598869732.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267831 598869734 /nfs/dbraw/zinc/86/97/34/598869734.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 0 3 385.472 2.866 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826497884 607734393 /nfs/dbraw/zinc/73/43/93/607734393.db2.gz XQCHQPUZNWIOOC-UHFFFAOYSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826497884 607734394 /nfs/dbraw/zinc/73/43/94/607734394.db2.gz XQCHQPUZNWIOOC-UHFFFAOYSA-N 0 3 385.472 2.867 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820227100 607011932 /nfs/dbraw/zinc/01/19/32/607011932.db2.gz YIRPBNOQBXFRIH-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820227100 607011933 /nfs/dbraw/zinc/01/19/33/607011933.db2.gz YIRPBNOQBXFRIH-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820226343 607085447 /nfs/dbraw/zinc/08/54/47/607085447.db2.gz UXUNWSASSRESTD-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820226343 607085449 /nfs/dbraw/zinc/08/54/49/607085449.db2.gz UXUNWSASSRESTD-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820226341 607085459 /nfs/dbraw/zinc/08/54/59/607085459.db2.gz UXUNWSASSRESTD-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820226341 607085460 /nfs/dbraw/zinc/08/54/60/607085460.db2.gz UXUNWSASSRESTD-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826176284 608553809 /nfs/dbraw/zinc/55/38/09/608553809.db2.gz IYWSRYXAZMIUQE-CYBMUJFWSA-N 0 3 398.423 2.822 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533618 655115787 /nfs/dbraw/zinc/11/57/87/655115787.db2.gz RBJZRYWIPOYISU-XHDPSFHLSA-N 0 3 382.258 2.832 20 5 GFBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289245428 655344898 /nfs/dbraw/zinc/34/48/98/655344898.db2.gz WSHYEXPQQKUHLA-VIFPVBQESA-N 0 3 382.269 2.616 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893721 655700411 /nfs/dbraw/zinc/70/04/11/655700411.db2.gz BSWAOAOUZUOSSU-YPMHNXCESA-N 0 3 375.878 2.742 20 5 GFBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCN(CC2CCOCC2)CC1 ZINC000765508510 656144475 /nfs/dbraw/zinc/14/44/75/656144475.db2.gz YQWWRAPSEBIUFN-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160741 661240035 /nfs/dbraw/zinc/24/00/35/661240035.db2.gz FWLPVLIRKNSQAK-KWQFWETISA-N 0 3 387.234 2.592 20 5 GFBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421501 658095303 /nfs/dbraw/zinc/09/53/03/658095303.db2.gz NLBZHMPPBIYKPE-VIFPVBQESA-N 0 3 384.285 2.910 20 5 GFBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421501 658095308 /nfs/dbraw/zinc/09/53/08/658095308.db2.gz NLBZHMPPBIYKPE-VIFPVBQESA-N 0 3 384.285 2.910 20 5 GFBDHN C[C@@](CO)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284553 658910119 /nfs/dbraw/zinc/91/01/19/658910119.db2.gz LXCZSWMRTXOMTB-IRXDYDNUSA-N 0 3 395.253 2.888 20 5 GFBDHN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989537 660100341 /nfs/dbraw/zinc/10/03/41/660100341.db2.gz OJIYBXIDNFFYLS-SNVBAGLBSA-N 0 3 379.841 2.540 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020264 660102493 /nfs/dbraw/zinc/10/24/93/660102493.db2.gz WAUZTDLLGJESGQ-GHMZBOCLSA-N 0 3 393.868 2.881 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020265 660102593 /nfs/dbraw/zinc/10/25/93/660102593.db2.gz WAUZTDLLGJESGQ-MNOVXSKESA-N 0 3 393.868 2.881 20 5 GFBDHN C[C@H]1CCN(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053620 661622925 /nfs/dbraw/zinc/62/29/25/661622925.db2.gz SFZQWOFZJMZKEG-NSHDSACASA-N 0 3 382.258 2.584 20 5 GFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447596 663558012 /nfs/dbraw/zinc/55/80/12/663558012.db2.gz ZAHGCVZNDKSQNA-UONOGXRCSA-N 0 3 397.273 2.735 20 5 GFBDHN Cc1c(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251824 664789305 /nfs/dbraw/zinc/78/93/05/664789305.db2.gz BOWOSHBOUNXWSM-IINYFYTJSA-N 0 3 383.246 2.834 20 5 GFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000935368879 664956973 /nfs/dbraw/zinc/95/69/73/664956973.db2.gz UZMHKUOHDBOCAL-ZBFHGGJFSA-N 0 3 381.523 2.969 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762114 721118817 /nfs/dbraw/zinc/11/88/17/721118817.db2.gz BYAMSYIXXAHPNX-SJORKVTESA-N 0 3 392.463 2.835 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768960 721120001 /nfs/dbraw/zinc/12/00/01/721120001.db2.gz OMJVTLHBDXJWJC-MSOLQXFVSA-N 0 3 392.463 2.835 20 5 GFBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127995122 551345701 /nfs/dbraw/zinc/34/57/01/551345701.db2.gz BGEJNHVQFXKARV-AWEZNQCLSA-N 0 3 387.267 2.820 20 5 GFBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000155117650 551491894 /nfs/dbraw/zinc/49/18/94/551491894.db2.gz UENOVDBZVOLMFR-GFCCVEGCSA-N 0 3 381.230 2.835 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCCc3sccc32)cc1 ZINC000161968006 551601005 /nfs/dbraw/zinc/60/10/05/551601005.db2.gz WETZIZSEPQSUTE-HNNXBMFYSA-N 0 3 381.479 2.602 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096222 551624068 /nfs/dbraw/zinc/62/40/68/551624068.db2.gz VXFWDBWZQDGUPD-ABAIWWIYSA-N 0 3 382.258 2.914 20 5 GFBDHN CN(C)CCn1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000182501697 552286109 /nfs/dbraw/zinc/28/61/09/552286109.db2.gz MCBNBUTZNVQUDP-UHFFFAOYSA-N 0 3 383.861 2.737 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330551712 563510091 /nfs/dbraw/zinc/51/00/91/563510091.db2.gz SKJMRAACYTUBNX-QWHCGFSZSA-N 0 3 377.388 2.731 20 5 GFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000564158828 564222618 /nfs/dbraw/zinc/22/26/18/564222618.db2.gz AZPLKJUWBSCHKP-UHFFFAOYSA-N 0 3 396.245 2.514 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000515757734 564486769 /nfs/dbraw/zinc/48/67/69/564486769.db2.gz SARGYVVTNGIHTL-LBPRGKRZSA-N 0 3 389.905 2.957 20 5 GFBDHN COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000583528461 564895908 /nfs/dbraw/zinc/89/59/08/564895908.db2.gz VXGYEAGQGMCEBK-ZDUSSCGKSA-N 0 3 378.210 2.960 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000584081698 564920123 /nfs/dbraw/zinc/92/01/23/564920123.db2.gz HWMBXEXEZBOVBF-KGLIPLIRSA-N 0 3 388.205 2.857 20 5 GFBDHN C[C@H]1CCN(C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035084 565016590 /nfs/dbraw/zinc/01/65/90/565016590.db2.gz HCHCUXRBAQPXAU-NSHDSACASA-N 0 3 389.237 2.725 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCC1 ZINC000590167418 565179538 /nfs/dbraw/zinc/17/95/38/565179538.db2.gz FQZXXJJTPMQZPI-UHFFFAOYSA-N 0 3 375.878 2.793 20 5 GFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976962 565709382 /nfs/dbraw/zinc/70/93/82/565709382.db2.gz FNHBGHQLGZZADA-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290631 565837685 /nfs/dbraw/zinc/83/76/85/565837685.db2.gz IFLFNCWPWMYAQR-YPMHNXCESA-N 0 3 382.258 2.914 20 5 GFBDHN CN(CCCCN1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603423963 565904402 /nfs/dbraw/zinc/90/44/02/565904402.db2.gz SGFMGHUFXHVISH-UHFFFAOYSA-N 0 3 375.516 2.762 20 5 GFBDHN CC[C@@H](Cc1cccs1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336019 566126033 /nfs/dbraw/zinc/12/60/33/566126033.db2.gz OTAIPKKSSSWCBP-ZDUSSCGKSA-N 0 3 383.495 2.546 20 5 GFBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597918 599107277 /nfs/dbraw/zinc/10/72/77/599107277.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597918 599107280 /nfs/dbraw/zinc/10/72/80/599107280.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597918 599107281 /nfs/dbraw/zinc/10/72/81/599107281.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597918 599107283 /nfs/dbraw/zinc/10/72/83/599107283.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738373724 598580725 /nfs/dbraw/zinc/58/07/25/598580725.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738373724 598580726 /nfs/dbraw/zinc/58/07/26/598580726.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738373724 598580727 /nfs/dbraw/zinc/58/07/27/598580727.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 0 3 386.460 2.627 20 5 GFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738373724 598580728 /nfs/dbraw/zinc/58/07/28/598580728.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 0 3 386.460 2.627 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619391 606045049 /nfs/dbraw/zinc/04/50/49/606045049.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619391 606045055 /nfs/dbraw/zinc/04/50/55/606045055.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619391 606045061 /nfs/dbraw/zinc/04/50/61/606045061.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619391 606045065 /nfs/dbraw/zinc/04/50/65/606045065.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580998 606473785 /nfs/dbraw/zinc/47/37/85/606473785.db2.gz AQSTZKOOXZLYKD-NWDGAFQWSA-N 0 3 382.428 2.608 20 5 GFBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580998 606473786 /nfs/dbraw/zinc/47/37/86/606473786.db2.gz AQSTZKOOXZLYKD-NWDGAFQWSA-N 0 3 382.428 2.608 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823639509 607001433 /nfs/dbraw/zinc/00/14/33/607001433.db2.gz BKFPIJQUUSPQRM-UHFFFAOYSA-N 0 3 379.424 2.534 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823639509 607001435 /nfs/dbraw/zinc/00/14/35/607001435.db2.gz BKFPIJQUUSPQRM-UHFFFAOYSA-N 0 3 379.424 2.534 20 5 GFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765221 660441189 /nfs/dbraw/zinc/44/11/89/660441189.db2.gz VFDMDNCNTZAJDM-PHIMTYICSA-N 0 3 385.262 2.745 20 5 GFBDHN CCN1CCN([C@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132835 655017716 /nfs/dbraw/zinc/01/77/16/655017716.db2.gz FHNZSTMZKVMSSS-HNNXBMFYSA-N 0 3 397.317 2.569 20 5 GFBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160737 661240199 /nfs/dbraw/zinc/24/01/99/661240199.db2.gz FWLPVLIRKNSQAK-GZMMTYOYSA-N 0 3 387.234 2.592 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795911094 658870724 /nfs/dbraw/zinc/87/07/24/658870724.db2.gz BBVPEONIBRQMCT-JTQLQIEISA-N 0 3 393.868 2.738 20 5 GFBDHN CC(COC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[N+](=O)[O-] ZINC000813111376 660044312 /nfs/dbraw/zinc/04/43/12/660044312.db2.gz SHFPKWQOSMSYAI-JTQLQIEISA-N 0 3 394.225 2.946 20 5 GFBDHN CC([C@H](OC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1F)[N+](=O)[O-] ZINC000845873173 661502590 /nfs/dbraw/zinc/50/25/90/661502590.db2.gz BQPCTDHHOWNVIB-XPTSAGLGSA-N 0 3 387.410 2.854 20 5 GFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839566 662838223 /nfs/dbraw/zinc/83/82/23/662838223.db2.gz WYYVOKJDUSIWGG-RYUDHWBXSA-N 0 3 386.221 2.805 20 5 GFBDHN CCN1CCN(CC(C)(C)NCc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930663623 664775332 /nfs/dbraw/zinc/77/53/32/664775332.db2.gz MYYUKJJTSKLHPS-UHFFFAOYSA-N 0 3 399.333 2.863 20 5 GFBDHN CCN1CCN(CC(C)(C)NCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000930663210 664775369 /nfs/dbraw/zinc/77/53/69/664775369.db2.gz GDMZVWFZXPVUHI-UHFFFAOYSA-N 0 3 399.333 2.863 20 5 GFBDHN c1cnc2c(c1)ccc1ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742353 720652843 /nfs/dbraw/zinc/65/28/43/720652843.db2.gz MZZCZBPOSMLTFY-MOPGFXCFSA-N 0 3 398.470 2.915 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871466 721075405 /nfs/dbraw/zinc/07/54/05/721075405.db2.gz YYSXCMJTKVCCFO-HZPDHXFCSA-N 0 3 389.843 2.518 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000126136701 551326300 /nfs/dbraw/zinc/32/63/00/551326300.db2.gz JBVJQUNGPGVHMV-OLZOCXBDSA-N 0 3 382.258 2.974 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173262045 552081691 /nfs/dbraw/zinc/08/16/91/552081691.db2.gz GXTCOFRACPNJAI-IAQYHMDHSA-N 0 3 389.905 2.907 20 5 GFBDHN O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301909114 563415375 /nfs/dbraw/zinc/41/53/75/563415375.db2.gz FJRBZTVTVGLCCS-CYBMUJFWSA-N 0 3 399.289 2.834 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000425418045 563421766 /nfs/dbraw/zinc/42/17/66/563421766.db2.gz ILHIJSSDYZOQQT-UHFFFAOYSA-N 0 3 384.274 2.654 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330551710 563510107 /nfs/dbraw/zinc/51/01/07/563510107.db2.gz SKJMRAACYTUBNX-CHWSQXEVSA-N 0 3 377.388 2.731 20 5 GFBDHN CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330551713 563510398 /nfs/dbraw/zinc/51/03/98/563510398.db2.gz SKJMRAACYTUBNX-STQMWFEESA-N 0 3 377.388 2.731 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000408012183 563541220 /nfs/dbraw/zinc/54/12/20/563541220.db2.gz BUNFMTLDNMSQHE-UHFFFAOYSA-N 0 3 387.889 2.887 20 5 GFBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000331940303 563568323 /nfs/dbraw/zinc/56/83/23/563568323.db2.gz MVTXYOFZWCBLRP-HOTGVXAUSA-N 0 3 383.901 2.829 20 5 GFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363927010 563737213 /nfs/dbraw/zinc/73/72/13/563737213.db2.gz ZVZSDSVPVXBZLY-HNNXBMFYSA-N 0 3 397.317 2.962 20 5 GFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H]1CCCc2sccc21 ZINC000540174368 564240838 /nfs/dbraw/zinc/24/08/38/564240838.db2.gz SAJWEVYXKOXWIU-CYBMUJFWSA-N 0 3 381.479 2.602 20 5 GFBDHN CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000542768379 564325740 /nfs/dbraw/zinc/32/57/40/564325740.db2.gz CQZAKDXVKQFJKX-HOTGVXAUSA-N 0 3 381.523 2.725 20 5 GFBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000451842979 564358708 /nfs/dbraw/zinc/35/87/08/564358708.db2.gz NFUPOPACZZLSJD-GFCCVEGCSA-N 0 3 399.289 2.712 20 5 GFBDHN COCC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000570011291 564487520 /nfs/dbraw/zinc/48/75/20/564487520.db2.gz BHARNHVNWLAXHD-UHFFFAOYSA-N 0 3 376.194 2.858 20 5 GFBDHN C[C@H](Cn1cc(Br)ccc1=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521404813 564626301 /nfs/dbraw/zinc/62/63/01/564626301.db2.gz PQQOSPQMHDTXLI-GFCCVEGCSA-N 0 3 396.241 2.576 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000554936131 564778040 /nfs/dbraw/zinc/77/80/40/564778040.db2.gz NYBVYVOBQAVOBJ-SMDDNHRTSA-N 0 3 390.221 2.792 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCC2(CO)CCCC2)c1 ZINC000589317851 565161229 /nfs/dbraw/zinc/16/12/29/565161229.db2.gz RLZMBPXXUFMHJI-UHFFFAOYSA-N 0 3 390.221 2.842 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000595413268 565474921 /nfs/dbraw/zinc/47/49/21/565474921.db2.gz YTRIFOUNEMRVKL-UHFFFAOYSA-N 0 3 387.889 2.649 20 5 GFBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)N1CCOCC1 ZINC000602503208 565852505 /nfs/dbraw/zinc/85/25/05/565852505.db2.gz KBHVWLKMJVOBEY-UHFFFAOYSA-N 0 3 378.292 2.619 20 5 GFBDHN CS(=O)(=O)CC1(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602706542 565864240 /nfs/dbraw/zinc/86/42/40/565864240.db2.gz QAMKLIHSQZTLFM-UHFFFAOYSA-N 0 3 397.316 2.723 20 5 GFBDHN CN(C)CCn1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000612040540 566149779 /nfs/dbraw/zinc/14/97/79/566149779.db2.gz OEGQIQOCRPJSKA-UHFFFAOYSA-N 0 3 383.861 2.737 20 5 GFBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060814 /nfs/dbraw/zinc/06/08/14/599060814.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060818 /nfs/dbraw/zinc/06/08/18/599060818.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060821 /nfs/dbraw/zinc/06/08/21/599060821.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060823 /nfs/dbraw/zinc/06/08/23/599060823.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 0 3 396.455 2.634 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705983 599473287 /nfs/dbraw/zinc/47/32/87/599473287.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705983 599473292 /nfs/dbraw/zinc/47/32/92/599473292.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705983 599473293 /nfs/dbraw/zinc/47/32/93/599473293.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705983 599473296 /nfs/dbraw/zinc/47/32/96/599473296.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 0 3 396.455 2.998 20 5 GFBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821581000 606473672 /nfs/dbraw/zinc/47/36/72/606473672.db2.gz AQSTZKOOXZLYKD-VXGBXAGGSA-N 0 3 382.428 2.608 20 5 GFBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821581000 606473674 /nfs/dbraw/zinc/47/36/74/606473674.db2.gz AQSTZKOOXZLYKD-VXGBXAGGSA-N 0 3 382.428 2.608 20 5 GFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000824414264 608279601 /nfs/dbraw/zinc/27/96/01/608279601.db2.gz YJDKMGNZDVPPBB-AWEZNQCLSA-N 0 3 382.424 2.765 20 5 GFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824414264 608279603 /nfs/dbraw/zinc/27/96/03/608279603.db2.gz YJDKMGNZDVPPBB-AWEZNQCLSA-N 0 3 382.424 2.765 20 5 GFBDHN COc1ccc(OCC[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826211646 608463286 /nfs/dbraw/zinc/46/32/86/608463286.db2.gz NVAZMXLHWMPSDM-GFCCVEGCSA-N 0 3 384.396 2.513 20 5 GFBDHN COc1ccc(OCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826211646 608463288 /nfs/dbraw/zinc/46/32/88/608463288.db2.gz NVAZMXLHWMPSDM-GFCCVEGCSA-N 0 3 384.396 2.513 20 5 GFBDHN C[NH+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000026853997 654560004 /nfs/dbraw/zinc/56/00/04/654560004.db2.gz KHSXUVAIJZFOAM-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN O=[N+]([O-])c1cc(CN2CCC(CN3CCOCC3)CC2)ccc1Br ZINC000134086891 654982348 /nfs/dbraw/zinc/98/23/48/654982348.db2.gz OSNVFWUFSXEJIK-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N(C)C ZINC000776002100 656701968 /nfs/dbraw/zinc/70/19/68/656701968.db2.gz SBZOHUCHWLUFBR-VCTAVGKDSA-N 0 3 386.905 2.553 20 5 GFBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804441346 659647257 /nfs/dbraw/zinc/64/72/57/659647257.db2.gz KETZJNLOJQHKHI-UHFFFAOYSA-N 0 3 385.262 2.700 20 5 GFBDHN CN1CCN(C2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CC1 ZINC000866212132 662464668 /nfs/dbraw/zinc/46/46/68/662464668.db2.gz CWAOXMHPDVHITR-UHFFFAOYSA-N 0 3 383.290 2.574 20 5 GFBDHN CC1(C)CCNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000866804429 662500074 /nfs/dbraw/zinc/50/00/74/662500074.db2.gz WCCHCFSJSAPAAV-UHFFFAOYSA-N 0 3 382.269 2.664 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955246 663079551 /nfs/dbraw/zinc/07/95/51/663079551.db2.gz RNYNXVAMEXXDJH-UWVGGRQHSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955246 663079552 /nfs/dbraw/zinc/07/95/52/663079552.db2.gz RNYNXVAMEXXDJH-UWVGGRQHSA-N 0 3 394.280 2.807 20 5 GFBDHN CN1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622513 551418240 /nfs/dbraw/zinc/41/82/40/551418240.db2.gz VKSDICAHNBROGP-MRVPVSSYSA-N 0 3 376.638 2.692 20 5 GFBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158536940 551553487 /nfs/dbraw/zinc/55/34/87/551553487.db2.gz UDODTDQDWNSGGG-GFCCVEGCSA-N 0 3 387.889 2.886 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096102 551624214 /nfs/dbraw/zinc/62/42/14/551624214.db2.gz VXFWDBWZQDGUPD-IAQYHMDHSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173633350 552089892 /nfs/dbraw/zinc/08/98/92/552089892.db2.gz PQMMNEUJLXPXOW-ZDUSSCGKSA-N 0 3 387.889 2.745 20 5 GFBDHN CC(C)(C)[C@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183684320 552316910 /nfs/dbraw/zinc/31/69/10/552316910.db2.gz FZAZQZLTGKGDMJ-ZDUSSCGKSA-N 0 3 388.262 2.683 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000189139249 552463926 /nfs/dbraw/zinc/46/39/26/552463926.db2.gz DAYNTWGMDMUYDQ-UHFFFAOYSA-N 0 3 375.878 2.661 20 5 GFBDHN Cc1csc(Sc2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])n1 ZINC000237648571 553080091 /nfs/dbraw/zinc/08/00/91/553080091.db2.gz DPLOIZIUBOYAEO-UHFFFAOYSA-N 0 3 378.479 2.946 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180473 563331467 /nfs/dbraw/zinc/33/14/67/563331467.db2.gz USGDAPCDLOTMPR-QMTHXVAHSA-N 0 3 383.246 2.915 20 5 GFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000374315746 563368196 /nfs/dbraw/zinc/36/81/96/563368196.db2.gz ZJEVFWHUBRQCJW-CZUORRHYSA-N 0 3 397.317 2.820 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000375046281 563389051 /nfs/dbraw/zinc/38/90/51/563389051.db2.gz ISXZDTREEYJJJN-LBPRGKRZSA-N 0 3 382.258 2.976 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000377887870 563490194 /nfs/dbraw/zinc/49/01/94/563490194.db2.gz HLKNTERWWUMBQA-JTQLQIEISA-N 0 3 394.280 2.760 20 5 GFBDHN CN1CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000377980623 563492769 /nfs/dbraw/zinc/49/27/69/563492769.db2.gz ANOVGZBMUWGWQB-LRDDRELGSA-N 0 3 392.257 2.674 20 5 GFBDHN C[C@@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496516 563562421 /nfs/dbraw/zinc/56/24/21/563562421.db2.gz MCMNCEONDFIDPJ-SJORKVTESA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC[C@@H](CO)C2)c1 ZINC000414589950 563747714 /nfs/dbraw/zinc/74/77/14/563747714.db2.gz XIICQOOGIRGVQG-MFKMUULPSA-N 0 3 390.221 2.840 20 5 GFBDHN C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000292002094 563768992 /nfs/dbraw/zinc/76/89/92/563768992.db2.gz SUFRKXKMTSQLJB-NSHDSACASA-N 0 3 389.283 2.515 20 5 GFBDHN C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000292002090 563769030 /nfs/dbraw/zinc/76/90/30/563769030.db2.gz SUFRKXKMTSQLJB-LLVKDONJSA-N 0 3 389.283 2.515 20 5 GFBDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449439816 564186828 /nfs/dbraw/zinc/18/68/28/564186828.db2.gz AFBPCVIVAPFOAK-GFCCVEGCSA-N 0 3 383.495 2.741 20 5 GFBDHN COCC(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000491460533 564790347 /nfs/dbraw/zinc/79/03/47/564790347.db2.gz ZTMFFACQQJYWJM-UHFFFAOYSA-N 0 3 378.210 2.962 20 5 GFBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462140003 564822843 /nfs/dbraw/zinc/82/28/43/564822843.db2.gz ZPGWVVGJNPFEKX-JTQLQIEISA-N 0 3 382.269 2.616 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1csc(Br)c1 ZINC000582569767 564852711 /nfs/dbraw/zinc/85/27/11/564852711.db2.gz VOEIMZJEBOJEJL-NSHDSACASA-N 0 3 387.255 2.948 20 5 GFBDHN C[C@]1(CO)CCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037954 565016139 /nfs/dbraw/zinc/01/61/39/565016139.db2.gz FTHDXAFGFNIFOA-ZIAGYGMSSA-N 0 3 390.221 2.840 20 5 GFBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845497 565241439 /nfs/dbraw/zinc/24/14/39/565241439.db2.gz TUCIJUBUPIIPGC-MRXNPFEDSA-N 0 3 397.317 2.569 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccccc3Br)CCC2)c1 ZINC000593041301 565310330 /nfs/dbraw/zinc/31/03/30/565310330.db2.gz ZPIHFSADWQFOQM-ZDUSSCGKSA-N 0 3 395.257 2.584 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793053 565421575 /nfs/dbraw/zinc/42/15/75/565421575.db2.gz TXAMVIMNLCCIMT-LBPRGKRZSA-N 0 3 389.905 2.955 20 5 GFBDHN CC(C)C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769055 599263547 /nfs/dbraw/zinc/26/35/47/599263547.db2.gz FQQWPPAORROGOV-CYBMUJFWSA-N 0 3 384.444 2.711 20 5 GFBDHN CC(C)C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769055 599263549 /nfs/dbraw/zinc/26/35/49/599263549.db2.gz FQQWPPAORROGOV-CYBMUJFWSA-N 0 3 384.444 2.711 20 5 GFBDHN CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821180303 599277251 /nfs/dbraw/zinc/27/72/51/599277251.db2.gz BKYAUJUDXAWDNF-MRXNPFEDSA-N 0 3 382.428 2.665 20 5 GFBDHN CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821180303 599277252 /nfs/dbraw/zinc/27/72/52/599277252.db2.gz BKYAUJUDXAWDNF-MRXNPFEDSA-N 0 3 382.428 2.665 20 5 GFBDHN CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502415 /nfs/dbraw/zinc/50/24/15/599502415.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 0 3 396.455 2.634 20 5 GFBDHN CC(C)(C)[N@H+]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502417 /nfs/dbraw/zinc/50/24/17/599502417.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 0 3 396.455 2.634 20 5 GFBDHN CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502419 /nfs/dbraw/zinc/50/24/19/599502419.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 0 3 396.455 2.634 20 5 GFBDHN CC(C)(C)[N@H+]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502422 /nfs/dbraw/zinc/50/24/22/599502422.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 0 3 396.455 2.634 20 5 GFBDHN CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554655 /nfs/dbraw/zinc/55/46/55/599554655.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554658 /nfs/dbraw/zinc/55/46/58/599554658.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554659 /nfs/dbraw/zinc/55/46/59/599554659.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[C@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554662 /nfs/dbraw/zinc/55/46/62/599554662.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067717512 654943422 /nfs/dbraw/zinc/94/34/22/654943422.db2.gz BZJFELIKILTSAG-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000267908115 654951462 /nfs/dbraw/zinc/95/14/62/654951462.db2.gz BYMHPGWUOFEGAR-WCBMZHEXSA-N 0 3 386.221 2.851 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533612 655115781 /nfs/dbraw/zinc/11/57/81/655115781.db2.gz RBJZRYWIPOYISU-ABAIWWIYSA-N 0 3 382.258 2.832 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171841884 655154433 /nfs/dbraw/zinc/15/44/33/655154433.db2.gz VGAKKTWGZJFUQP-UHFFFAOYSA-N 0 3 397.831 2.602 20 5 GFBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573486 661093006 /nfs/dbraw/zinc/09/30/06/661093006.db2.gz BALYTFXNGYMDDO-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000783724029 657254610 /nfs/dbraw/zinc/25/46/10/657254610.db2.gz SOJXDKVHDRRRDQ-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN C[C@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227361 659086633 /nfs/dbraw/zinc/08/66/33/659086633.db2.gz OPARASIMMGOREA-SNVBAGLBSA-N 0 3 379.841 2.540 20 5 GFBDHN COC(=O)CC(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000809964209 659953986 /nfs/dbraw/zinc/95/39/86/659953986.db2.gz GXXNPKJEECSCED-UHFFFAOYSA-N 0 3 392.193 2.631 20 5 GFBDHN NC(=O)C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809975519 659954214 /nfs/dbraw/zinc/95/42/14/659954214.db2.gz MFNOUSCUSOOQEK-CYBMUJFWSA-N 0 3 376.240 2.662 20 5 GFBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813113059 660044282 /nfs/dbraw/zinc/04/42/82/660044282.db2.gz WXTXDMYFTMRREV-IPURGOFSSA-N 0 3 375.208 2.721 20 5 GFBDHN C[C@H](C[C@H](O)c1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109256 661368519 /nfs/dbraw/zinc/36/85/19/661368519.db2.gz WYCLJSNPYFLVRV-DOMZBBRYSA-N 0 3 384.479 2.532 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955247 663079592 /nfs/dbraw/zinc/07/95/92/663079592.db2.gz RNYNXVAMEXXDJH-VHSXEESVSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955247 663079594 /nfs/dbraw/zinc/07/95/94/663079594.db2.gz RNYNXVAMEXXDJH-VHSXEESVSA-N 0 3 394.280 2.807 20 5 GFBDHN COCCN1CCC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895888627 663532376 /nfs/dbraw/zinc/53/23/76/663532376.db2.gz MTNKQOOIPZBAHN-UHFFFAOYSA-N 0 3 394.230 2.881 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1F ZINC000915609596 664434927 /nfs/dbraw/zinc/43/49/27/664434927.db2.gz QQNGVJMSTYJOPX-AWEZNQCLSA-N 0 3 378.809 2.582 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H]1CCOc2ccc(Br)cc21 ZINC000932205488 664813426 /nfs/dbraw/zinc/81/34/26/664813426.db2.gz NGXNYHORNFGMEC-ZDUSSCGKSA-N 0 3 381.230 2.976 20 5 GFBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000063850910 551184238 /nfs/dbraw/zinc/18/42/38/551184238.db2.gz WLFFQWVXSAKAIM-LBPRGKRZSA-N 0 3 375.878 2.567 20 5 GFBDHN O=C(NCCCNCc1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000325361183 563453710 /nfs/dbraw/zinc/45/37/10/563453710.db2.gz HPJIJKZLAPGHOW-UHFFFAOYSA-N 0 3 393.241 2.662 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000408001171 563541051 /nfs/dbraw/zinc/54/10/51/563541051.db2.gz AVIAMLCLYAENOC-CMPLNLGQSA-N 0 3 382.258 2.974 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCN2CCC[C@H]2C1 ZINC000363517269 563725116 /nfs/dbraw/zinc/72/51/16/563725116.db2.gz ZOZXNLFHONBVRV-MNOVXSKESA-N 0 3 375.397 2.630 20 5 GFBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000367380088 563843112 /nfs/dbraw/zinc/84/31/12/563843112.db2.gz PJWOKDPVSCXQOQ-UHFFFAOYSA-N 0 3 377.198 2.650 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000544657008 564392825 /nfs/dbraw/zinc/39/28/25/564392825.db2.gz QECOVLHGFNMFFJ-LBPRGKRZSA-N 0 3 389.905 2.907 20 5 GFBDHN CN(C)C(=O)CCN1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000517577490 564536844 /nfs/dbraw/zinc/53/68/44/564536844.db2.gz WVMZZEXJDRCCKL-UHFFFAOYSA-N 0 3 399.289 2.712 20 5 GFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCO[C@@H]21 ZINC000519079595 564569502 /nfs/dbraw/zinc/56/95/02/564569502.db2.gz PCTQICAEAOXHIT-KMUNFCNLSA-N 0 3 398.257 2.699 20 5 GFBDHN C[C@@H]1CN(C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053487 564867884 /nfs/dbraw/zinc/86/78/84/564867884.db2.gz JHTXRSUKBVREDZ-BXKDBHETSA-N 0 3 381.230 2.996 20 5 GFBDHN Cc1c(NC(=O)NCCNc2ccncc2)cc(Br)cc1[N+](=O)[O-] ZINC000500181242 564947525 /nfs/dbraw/zinc/94/75/25/564947525.db2.gz SSKFIDZQMNVQDN-UHFFFAOYSA-N 0 3 394.229 2.716 20 5 GFBDHN CN(C)CCOc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])ccn1 ZINC000536502009 565039471 /nfs/dbraw/zinc/03/94/71/565039471.db2.gz NANKGNWFAMPCFD-UHFFFAOYSA-N 0 3 396.245 2.700 20 5 GFBDHN CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000613916372 565085563 /nfs/dbraw/zinc/08/55/63/565085563.db2.gz AHZGZMLHTAHTAT-QWHCGFSZSA-N 0 3 387.303 2.768 20 5 GFBDHN C[C@H](CCN1CCN(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620050 565858280 /nfs/dbraw/zinc/85/82/80/565858280.db2.gz SNHWKXZMMPMXMX-LLVKDONJSA-N 0 3 391.335 2.534 20 5 GFBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698251 599544024 /nfs/dbraw/zinc/54/40/24/599544024.db2.gz RUBQDMCGGMLTTR-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698251 599544026 /nfs/dbraw/zinc/54/40/26/599544026.db2.gz RUBQDMCGGMLTTR-CHWSQXEVSA-N 0 3 396.455 2.998 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643810 606450609 /nfs/dbraw/zinc/45/06/09/606450609.db2.gz BSZAKYBHUXQDLJ-UHFFFAOYSA-N 0 3 382.428 2.611 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643810 606450611 /nfs/dbraw/zinc/45/06/11/606450611.db2.gz BSZAKYBHUXQDLJ-UHFFFAOYSA-N 0 3 382.428 2.611 20 5 GFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225585 607083834 /nfs/dbraw/zinc/08/38/34/607083834.db2.gz LZJRMNSGLGDVOL-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225585 607083836 /nfs/dbraw/zinc/08/38/36/607083836.db2.gz LZJRMNSGLGDVOL-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262502 660252501 /nfs/dbraw/zinc/25/25/01/660252501.db2.gz NHFAFULOJRDGPF-GWCFXTLKSA-N 0 3 387.223 2.572 20 5 GFBDHN O=[N+]([O-])c1cccc(CN2CCN(CC3CCOCC3)CC2)c1Br ZINC000839496909 661087500 /nfs/dbraw/zinc/08/75/00/661087500.db2.gz MKQGPZVGPMZHFU-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N(C)C ZINC000776002095 656701761 /nfs/dbraw/zinc/70/17/61/656701761.db2.gz SBZOHUCHWLUFBR-COLVAYQJSA-N 0 3 386.905 2.553 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858355 658861301 /nfs/dbraw/zinc/86/13/01/658861301.db2.gz WLVGWCZIFQRKKG-GHMZBOCLSA-N 0 3 393.868 2.881 20 5 GFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000816952260 660174321 /nfs/dbraw/zinc/17/43/21/660174321.db2.gz GNWNJZNQIZADNZ-UFBFGSQYSA-N 0 3 388.649 2.787 20 5 GFBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310485 662541324 /nfs/dbraw/zinc/54/13/24/662541324.db2.gz ZPFIEJHGXWKIOA-KWQFWETISA-N 0 3 382.269 2.615 20 5 GFBDHN COC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000895858518 663530506 /nfs/dbraw/zinc/53/05/06/663530506.db2.gz KALIROBWBADZKH-JOYOIKCWSA-N 0 3 379.276 2.950 20 5 GFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000923263552 664626940 /nfs/dbraw/zinc/62/69/40/664626940.db2.gz HHMAAIYRKPPYCK-QWHCGFSZSA-N 0 3 382.258 2.595 20 5 GFBDHN Cc1c(Br)cc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000121177246 551228662 /nfs/dbraw/zinc/22/86/62/551228662.db2.gz NHAWLERZRKAONE-UHFFFAOYSA-N 0 3 396.245 2.676 20 5 GFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067735 551490696 /nfs/dbraw/zinc/49/06/96/551490696.db2.gz QEEIQUDTSWYROK-LBPRGKRZSA-N 0 3 384.274 2.700 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246741875 553112830 /nfs/dbraw/zinc/11/28/30/553112830.db2.gz PEJYZWKFPLTSQT-BBRMVZONSA-N 0 3 396.285 2.843 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332103487 563576412 /nfs/dbraw/zinc/57/64/12/563576412.db2.gz ZAQAZGHVGLPCHJ-DOMZBBRYSA-N 0 3 387.889 2.804 20 5 GFBDHN C[C@H](CO)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289588364 563680082 /nfs/dbraw/zinc/68/00/82/563680082.db2.gz TYGAYHGKYZQGJB-JTQLQIEISA-N 0 3 378.210 2.698 20 5 GFBDHN O=C1C[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1 ZINC000414485574 563744254 /nfs/dbraw/zinc/74/42/54/563744254.db2.gz POGZZHIIXNUYTL-SNVBAGLBSA-N 0 3 394.225 2.843 20 5 GFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CCCc3sccc32)c1 ZINC000537941982 564178779 /nfs/dbraw/zinc/17/87/79/564178779.db2.gz KOJWOZWHAVQDPP-OAHLLOKOSA-N 0 3 381.479 2.602 20 5 GFBDHN CC1(C)COC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449621735 564193015 /nfs/dbraw/zinc/19/30/15/564193015.db2.gz AKHWDMBLSSFYAN-LBPRGKRZSA-N 0 3 376.194 2.714 20 5 GFBDHN CCC1(CNCc2cc(I)cc([N+](=O)[O-])c2)COC1 ZINC000449606238 564193040 /nfs/dbraw/zinc/19/30/40/564193040.db2.gz PYXTZBGZILEYGY-UHFFFAOYSA-N 0 3 376.194 2.716 20 5 GFBDHN CC(C)[C@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761517 564248375 /nfs/dbraw/zinc/24/83/75/564248375.db2.gz YEHLEAYZJUVSQZ-ZDUSSCGKSA-N 0 3 378.210 2.696 20 5 GFBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1N(C)C ZINC000542509314 564316226 /nfs/dbraw/zinc/31/62/26/564316226.db2.gz VSFBOGGYCSWZIR-GHMZBOCLSA-N 0 3 375.292 2.543 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2cccnc2)c1 ZINC000566383641 564325634 /nfs/dbraw/zinc/32/56/34/564325634.db2.gz VZJPELVFDBNCFJ-UHFFFAOYSA-N 0 3 383.189 2.927 20 5 GFBDHN C/C=C/C[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615091 564426789 /nfs/dbraw/zinc/42/67/89/564426789.db2.gz YGVFOINHMPRPKN-QAVQXKDTSA-N 0 3 376.194 2.616 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN(CCCCO)C2CC2)c1 ZINC000571889348 564571816 /nfs/dbraw/zinc/57/18/16/564571816.db2.gz OVTVTCLOLAVXFT-UHFFFAOYSA-N 0 3 390.221 2.936 20 5 GFBDHN CCCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000573290933 564631073 /nfs/dbraw/zinc/63/10/73/564631073.db2.gz WFWIRHLTUIXTQD-UHFFFAOYSA-N 0 3 389.237 2.727 20 5 GFBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092075 564646383 /nfs/dbraw/zinc/64/63/83/564646383.db2.gz NITFJMQPRJMBEB-CQSZACIVSA-N 0 3 384.274 2.841 20 5 GFBDHN CN(C)[C@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000487971517 564701170 /nfs/dbraw/zinc/70/11/70/564701170.db2.gz WETBXFGYQBBYIW-INIZCTEOSA-N 0 3 386.905 2.527 20 5 GFBDHN CCO[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459634142 564753860 /nfs/dbraw/zinc/75/38/60/564753860.db2.gz OEUYHPZQKZQEMF-BJHJDKERSA-N 0 3 376.194 2.857 20 5 GFBDHN CCN1CCC[C@@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309140 565160611 /nfs/dbraw/zinc/16/06/11/565160611.db2.gz DSVVCBYKLZEMEP-CYBMUJFWSA-N 0 3 389.237 2.773 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676847 565696681 /nfs/dbraw/zinc/69/66/81/565696681.db2.gz HSAXRIDDJUYLDR-OAHLLOKOSA-N 0 3 386.235 2.777 20 5 GFBDHN CN1CCC(n2cc(Nc3ncc([N+](=O)[O-])cc3Br)cn2)CC1 ZINC000601227222 565772048 /nfs/dbraw/zinc/77/20/48/565772048.db2.gz SRFVSLDTWFKQMV-UHFFFAOYSA-N 0 3 381.234 2.959 20 5 GFBDHN Cc1cc(S(=O)(=O)N(C)CCCCN2CCCCC2)c([N+](=O)[O-])s1 ZINC000603417334 565903953 /nfs/dbraw/zinc/90/39/53/565903953.db2.gz FLMDMUULVAJFOF-UHFFFAOYSA-N 0 3 375.516 2.851 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711412 599477740 /nfs/dbraw/zinc/47/77/40/599477740.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711412 599477742 /nfs/dbraw/zinc/47/77/42/599477742.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711412 599477744 /nfs/dbraw/zinc/47/77/44/599477744.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711412 599477745 /nfs/dbraw/zinc/47/77/45/599477745.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225544 607013634 /nfs/dbraw/zinc/01/36/34/607013634.db2.gz KTZXWABDHWQIDP-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225544 607013635 /nfs/dbraw/zinc/01/36/35/607013635.db2.gz KTZXWABDHWQIDP-QWHCGFSZSA-N 0 3 395.423 2.843 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533614 655115866 /nfs/dbraw/zinc/11/58/66/655115866.db2.gz RBJZRYWIPOYISU-IAQYHMDHSA-N 0 3 382.258 2.832 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522384 655352046 /nfs/dbraw/zinc/35/20/46/655352046.db2.gz WKJXTEFRBHZQKK-ZBFHGGJFSA-N 0 3 382.873 2.672 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149485 655429293 /nfs/dbraw/zinc/42/92/93/655429293.db2.gz OVTQSXJXBSMVEW-GXTWGEPZSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000577027581 655456379 /nfs/dbraw/zinc/45/63/79/655456379.db2.gz RELFOPLCQNIINM-QWRGUYRKSA-N 0 3 389.237 2.724 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858357 658861182 /nfs/dbraw/zinc/86/11/82/658861182.db2.gz WLVGWCZIFQRKKG-MNOVXSKESA-N 0 3 393.868 2.881 20 5 GFBDHN CN(C)C1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC000803545807 659587434 /nfs/dbraw/zinc/58/74/34/659587434.db2.gz NJWUYSBBTQMVIE-UHFFFAOYSA-N 0 3 382.258 2.726 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000809809783 659940559 /nfs/dbraw/zinc/94/05/59/659940559.db2.gz ZQYPKTRBVVREPJ-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018715 660102141 /nfs/dbraw/zinc/10/21/41/660102141.db2.gz YZMMGZGHDNXFRE-GWCFXTLKSA-N 0 3 393.868 2.738 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848508116 661658416 /nfs/dbraw/zinc/65/84/16/661658416.db2.gz HTQZZODFDTWYBR-CHWSQXEVSA-N 0 3 391.852 2.683 20 5 GFBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631715 662432981 /nfs/dbraw/zinc/43/29/81/662432981.db2.gz HNJHHSANTLVYQX-CYBMUJFWSA-N 0 3 387.267 2.820 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827150 662837678 /nfs/dbraw/zinc/83/76/78/662837678.db2.gz CAGRGZFEVJHSJZ-CABCVRRESA-N 0 3 382.258 2.974 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000881933067 663010288 /nfs/dbraw/zinc/01/02/88/663010288.db2.gz KFPOIHDFBHMHOZ-YPMHNXCESA-N 0 3 375.878 2.517 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000881933066 663010345 /nfs/dbraw/zinc/01/03/45/663010345.db2.gz KFPOIHDFBHMHOZ-WCQYABFASA-N 0 3 375.878 2.517 20 5 GFBDHN O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897219746 663595119 /nfs/dbraw/zinc/59/51/19/663595119.db2.gz NOHJSBVHOURSGW-STQMWFEESA-N 0 3 388.237 2.532 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)cnc2c1 ZINC001164722162 720351145 /nfs/dbraw/zinc/35/11/45/720351145.db2.gz FGXZCHJCBDSRQX-OALUTQOASA-N 0 3 376.420 2.786 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766369 721108366 /nfs/dbraw/zinc/10/83/66/721108366.db2.gz KTTRFEMQVMUHEG-QZTJIDSGSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1c(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971380 722124527 /nfs/dbraw/zinc/12/45/27/722124527.db2.gz BSDFNUYILYJDFA-QUCCMNQESA-N 0 3 397.479 2.729 20 5 GFBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162690011 551611451 /nfs/dbraw/zinc/61/14/51/551611451.db2.gz ANZGQIPTZHFSSO-UHFFFAOYSA-N 0 3 383.392 2.624 20 5 GFBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000173512346 552087262 /nfs/dbraw/zinc/08/72/62/552087262.db2.gz NFFUAINZUOSPCB-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000180939993 552240809 /nfs/dbraw/zinc/24/08/09/552240809.db2.gz IMFFPZRTLALYCI-LBPRGKRZSA-N 0 3 383.495 2.902 20 5 GFBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1Br ZINC000182064082 552274300 /nfs/dbraw/zinc/27/43/00/552274300.db2.gz ADWWLYNMHBSTAQ-LLVKDONJSA-N 0 3 396.241 2.878 20 5 GFBDHN Cc1cc(Br)ccc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000444710275 563835750 /nfs/dbraw/zinc/83/57/50/563835750.db2.gz UVAUWGGTINFQAE-UHFFFAOYSA-N 0 3 380.242 2.959 20 5 GFBDHN C[C@@H]1OCC[C@]1(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390254 564232067 /nfs/dbraw/zinc/23/20/67/564232067.db2.gz KODPNVRVMUUZGT-ZANVPECISA-N 0 3 376.194 2.857 20 5 GFBDHN CN(C)[C@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000541422289 564278782 /nfs/dbraw/zinc/27/87/82/564278782.db2.gz BHRKZVAAGMWVKX-HNNXBMFYSA-N 0 3 389.930 2.894 20 5 GFBDHN CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000542768368 564325831 /nfs/dbraw/zinc/32/58/31/564325831.db2.gz CQZAKDXVKQFJKX-CVEARBPZSA-N 0 3 381.523 2.725 20 5 GFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(CN3CCCCC3)CC2)s1 ZINC000543962367 564369694 /nfs/dbraw/zinc/36/96/94/564369694.db2.gz IYQOMIYPQDAFJD-UHFFFAOYSA-N 0 3 387.527 2.762 20 5 GFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000480357549 564469474 /nfs/dbraw/zinc/46/94/74/564469474.db2.gz PMRUQFOBZOGFNM-ZBEGNZNMSA-N 0 3 387.889 2.569 20 5 GFBDHN CC[C@@H](C)N(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946263 564779235 /nfs/dbraw/zinc/77/92/35/564779235.db2.gz IEBWGLHWXRKDRF-SNVBAGLBSA-N 0 3 378.210 2.792 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2cscn2)c1 ZINC000589313658 565161609 /nfs/dbraw/zinc/16/16/09/565161609.db2.gz KVIQGEGCXWTMAV-UHFFFAOYSA-N 0 3 389.218 2.988 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCCN3)o2)c(Br)c1 ZINC000600775237 565748842 /nfs/dbraw/zinc/74/88/42/565748842.db2.gz MHWNCDRMJDLDCX-NSHDSACASA-N 0 3 396.241 2.695 20 5 GFBDHN C[C@@H](CCN1CCN(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620051 565858044 /nfs/dbraw/zinc/85/80/44/565858044.db2.gz SNHWKXZMMPMXMX-NSHDSACASA-N 0 3 391.335 2.534 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135166 566068264 /nfs/dbraw/zinc/06/82/64/566068264.db2.gz LWFGSBSDSAUNPN-WCQYABFASA-N 0 3 375.878 2.742 20 5 GFBDHN C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736131140 598501865 /nfs/dbraw/zinc/50/18/65/598501865.db2.gz JKYUJBRGAQJWTL-GFCCVEGCSA-N 0 3 382.428 2.711 20 5 GFBDHN C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736131140 598501867 /nfs/dbraw/zinc/50/18/67/598501867.db2.gz JKYUJBRGAQJWTL-GFCCVEGCSA-N 0 3 382.428 2.711 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820665792 606199318 /nfs/dbraw/zinc/19/93/18/606199318.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820665792 606199319 /nfs/dbraw/zinc/19/93/19/606199319.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665792 606199321 /nfs/dbraw/zinc/19/93/21/606199321.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665792 606199323 /nfs/dbraw/zinc/19/93/23/606199323.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 0 3 394.439 2.635 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668772 606875354 /nfs/dbraw/zinc/87/53/54/606875354.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668772 606875355 /nfs/dbraw/zinc/87/53/55/606875355.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668772 606875356 /nfs/dbraw/zinc/87/53/56/606875356.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668772 606875357 /nfs/dbraw/zinc/87/53/57/606875357.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 0 3 379.424 2.850 20 5 GFBDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826176345 608470741 /nfs/dbraw/zinc/47/07/41/608470741.db2.gz LJGLJKUJVAQELO-LBPRGKRZSA-N 0 3 384.396 2.513 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826241398 608490073 /nfs/dbraw/zinc/49/00/73/608490073.db2.gz BVYIUEGEPNTIDY-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826241398 608490074 /nfs/dbraw/zinc/49/00/74/608490074.db2.gz BVYIUEGEPNTIDY-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202828 609344608 /nfs/dbraw/zinc/34/46/08/609344608.db2.gz OVDVWROYBVJQNP-UHFFFAOYSA-N 0 3 388.815 2.769 20 5 GFBDHN COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202828 609344609 /nfs/dbraw/zinc/34/46/09/609344609.db2.gz OVDVWROYBVJQNP-UHFFFAOYSA-N 0 3 388.815 2.769 20 5 GFBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825624974 660435173 /nfs/dbraw/zinc/43/51/73/660435173.db2.gz UOPPBGWQKBOPGY-UHFFFAOYSA-N 0 3 385.262 2.699 20 5 GFBDHN CCN1CCN(CC(C)(C)NCc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839612776 661095824 /nfs/dbraw/zinc/09/58/24/661095824.db2.gz AKHHXXPBSGTGFM-UHFFFAOYSA-N 0 3 399.333 2.863 20 5 GFBDHN CSc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081226 655215602 /nfs/dbraw/zinc/21/56/02/655215602.db2.gz FHJUHGIDHSLXPR-GOEBONIOSA-N 0 3 381.523 2.969 20 5 GFBDHN CN(C)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000276940037 655294212 /nfs/dbraw/zinc/29/42/12/655294212.db2.gz AOJSJMVTMQNNKK-NSHDSACASA-N 0 3 377.413 2.512 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292819425 655354820 /nfs/dbraw/zinc/35/48/20/655354820.db2.gz NVBZZSQCEOIPCI-INIZCTEOSA-N 0 3 387.889 2.663 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077251 657100776 /nfs/dbraw/zinc/10/07/76/657100776.db2.gz DBMPNCDDOZCFDR-HOTGVXAUSA-N 0 3 381.226 2.714 20 5 GFBDHN CN1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770537 658021451 /nfs/dbraw/zinc/02/14/51/658021451.db2.gz RLVFIOSPQUGPHA-NSHDSACASA-N 0 3 397.273 2.519 20 5 GFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000809860552 659950407 /nfs/dbraw/zinc/95/04/07/659950407.db2.gz RBWZFEUABUCJSN-GFCCVEGCSA-N 0 3 377.894 2.955 20 5 GFBDHN CC(COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813108052 660043949 /nfs/dbraw/zinc/04/39/49/660043949.db2.gz UOMWFAMFKRMOFT-IINYFYTJSA-N 0 3 377.224 2.575 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000814990025 660100309 /nfs/dbraw/zinc/10/03/09/660100309.db2.gz YEVTWDZADIMCFK-WDEREUQCSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000814990025 660100310 /nfs/dbraw/zinc/10/03/10/660100310.db2.gz YEVTWDZADIMCFK-WDEREUQCSA-N 0 3 393.868 2.929 20 5 GFBDHN CC([C@@H](OC(=O)Cn1cc(Br)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876847 661503021 /nfs/dbraw/zinc/50/30/21/661503021.db2.gz QYDHRROZNVMHLQ-YMTOWFKASA-N 0 3 386.177 2.734 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000881933065 663010305 /nfs/dbraw/zinc/01/03/05/663010305.db2.gz KFPOIHDFBHMHOZ-DGCLKSJQSA-N 0 3 375.878 2.517 20 5 GFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447595 663558042 /nfs/dbraw/zinc/55/80/42/663558042.db2.gz ZAHGCVZNDKSQNA-KGLIPLIRSA-N 0 3 397.273 2.735 20 5 GFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572627 664829050 /nfs/dbraw/zinc/82/90/50/664829050.db2.gz QAZXPIHOEBNOTO-KWQFWETISA-N 0 3 377.203 2.949 20 5 GFBDHN C[C@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497548 664909161 /nfs/dbraw/zinc/90/91/61/664909161.db2.gz VTRDJFIABNNTHK-IAGOWNOFSA-N 0 3 395.253 2.888 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766368 721109211 /nfs/dbraw/zinc/10/92/11/721109211.db2.gz KTTRFEMQVMUHEG-MSOLQXFVSA-N 0 3 392.463 2.835 20 5 GFBDHN O=C(CN1CCN(CC2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064130114 205188708 /nfs/dbraw/zinc/18/87/08/205188708.db2.gz PFQYQPLIMCSVKS-UHFFFAOYSA-N 0 3 386.496 2.682 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CCCC2)C1 ZINC000150966344 551404593 /nfs/dbraw/zinc/40/45/93/551404593.db2.gz KJTAIMGGVBSOQM-AWEZNQCLSA-N 0 3 382.258 2.597 20 5 GFBDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000153026440 551444693 /nfs/dbraw/zinc/44/46/93/551444693.db2.gz GKDMHNJKGVHXCU-DGCLKSJQSA-N 0 3 384.274 2.841 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@]3(O)CCOC3)o2)c(Br)c1 ZINC000179025867 552182152 /nfs/dbraw/zinc/18/21/52/552182152.db2.gz SBCDQKROWNQNGU-INIZCTEOSA-N 0 3 397.225 2.858 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247101232 553118687 /nfs/dbraw/zinc/11/86/87/553118687.db2.gz QAUUARFCVBDKAR-WFASDCNBSA-N 0 3 387.889 2.661 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248549057 553131467 /nfs/dbraw/zinc/13/14/67/553131467.db2.gz KAHJCRWYJUUFGU-STQMWFEESA-N 0 3 387.889 2.661 20 5 GFBDHN CN1C[C@@H]2CCCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425671870 563430840 /nfs/dbraw/zinc/43/08/40/563430840.db2.gz JGXAGIDRAHQLMW-IINYFYTJSA-N 0 3 383.246 2.915 20 5 GFBDHN O=[N+]([O-])c1nn(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1Br ZINC000284340056 563471847 /nfs/dbraw/zinc/47/18/47/563471847.db2.gz VGLWREQPYGRJBT-CQSZACIVSA-N 0 3 395.257 2.845 20 5 GFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563122 563510993 /nfs/dbraw/zinc/51/09/93/563510993.db2.gz JURMAPWUJLTJGZ-VXGBXAGGSA-N 0 3 399.289 2.710 20 5 GFBDHN C[C@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496511 563562630 /nfs/dbraw/zinc/56/26/30/563562630.db2.gz MCMNCEONDFIDPJ-IAGOWNOFSA-N 0 3 395.253 2.888 20 5 GFBDHN CC(C)(CCO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289450296 563674598 /nfs/dbraw/zinc/67/45/98/563674598.db2.gz GXHVQUDEPHJEOE-UHFFFAOYSA-N 0 3 378.210 2.698 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000366536515 563812663 /nfs/dbraw/zinc/81/26/63/563812663.db2.gz RUVKOGLAUHJVSO-MRXNPFEDSA-N 0 3 382.258 2.834 20 5 GFBDHN Cc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000443969030 563817082 /nfs/dbraw/zinc/81/70/82/563817082.db2.gz QXJBYUIFXFPQCD-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN CC1(C)OCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449415948 564186015 /nfs/dbraw/zinc/18/60/15/564186015.db2.gz QMISSBQPDVPKEK-GFCCVEGCSA-N 0 3 376.194 2.857 20 5 GFBDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449443076 564186820 /nfs/dbraw/zinc/18/68/20/564186820.db2.gz PBZPTKYAMOIECG-ZDUSSCGKSA-N 0 3 383.495 2.741 20 5 GFBDHN O=[N+]([O-])c1cc(CNc2cc(N3CCOCC3)c(Br)cn2)cs1 ZINC000449765167 564200527 /nfs/dbraw/zinc/20/05/27/564200527.db2.gz GVPKAQDZYGPYMU-UHFFFAOYSA-N 0 3 399.270 2.684 20 5 GFBDHN C[C@H]1OCC[C@@]1(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390248 564231671 /nfs/dbraw/zinc/23/16/71/564231671.db2.gz KODPNVRVMUUZGT-NOZJJQNGSA-N 0 3 376.194 2.857 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CSc3ccccc32)cc1 ZINC000564861101 564253544 /nfs/dbraw/zinc/25/35/44/564253544.db2.gz XERCVEUFPLYRKW-ZDUSSCGKSA-N 0 3 378.475 2.848 20 5 GFBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777065 564295787 /nfs/dbraw/zinc/29/57/87/564295787.db2.gz IXBLMZVSFZAFEX-YGRLFVJLSA-N 0 3 388.262 2.683 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCC2(O)CCC2)c1 ZINC000565976753 564304262 /nfs/dbraw/zinc/30/42/62/564304262.db2.gz CVEKBZXCRZVXCI-UHFFFAOYSA-N 0 3 376.194 2.594 20 5 GFBDHN CS[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000543311623 564345589 /nfs/dbraw/zinc/34/55/89/564345589.db2.gz PAVLGBOBHHZVPP-GXTWGEPZSA-N 0 3 389.930 2.844 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512164054 564393257 /nfs/dbraw/zinc/39/32/57/564393257.db2.gz NJZJNKAWPSOKJW-HNNXBMFYSA-N 0 3 386.235 2.777 20 5 GFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000480357542 564469538 /nfs/dbraw/zinc/46/95/38/564469538.db2.gz PMRUQFOBZOGFNM-BDJLRTHQSA-N 0 3 387.889 2.569 20 5 GFBDHN COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000558460290 564901584 /nfs/dbraw/zinc/90/15/84/564901584.db2.gz ULIJQENHSMYVFX-ZDUSSCGKSA-N 0 3 376.194 2.714 20 5 GFBDHN CN(C)CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000558475362 564902439 /nfs/dbraw/zinc/90/24/39/564902439.db2.gz GPAVBUQLLRPBGA-UHFFFAOYSA-N 0 3 389.237 2.773 20 5 GFBDHN O=[N+]([O-])c1ccn(CCNC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000533348873 564961336 /nfs/dbraw/zinc/96/13/36/564961336.db2.gz ZNOSOVAZBYSEOJ-UHFFFAOYSA-N 0 3 395.257 2.849 20 5 GFBDHN O=[N+]([O-])c1cnn(CCNC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000533485290 564964252 /nfs/dbraw/zinc/96/42/52/564964252.db2.gz NEKACNDNXZARQZ-UHFFFAOYSA-N 0 3 395.257 2.849 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2C[C@H](O)C23CCC3)c1 ZINC000594990524 565439779 /nfs/dbraw/zinc/43/97/79/565439779.db2.gz ZQBKRGHAMIWQHC-STQMWFEESA-N 0 3 388.205 2.593 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)Cc2ccco2)cc1Br ZINC000602568254 565855025 /nfs/dbraw/zinc/85/50/25/565855025.db2.gz KPKLXXPWDPFUAG-VIFPVBQESA-N 0 3 375.244 2.953 20 5 GFBDHN O=[N+]([O-])c1sc(CNCCCOC[C@H]2CCOC2)cc1Br ZINC000602561285 565855113 /nfs/dbraw/zinc/85/51/13/565855113.db2.gz XNXIVRNFKIJHQN-SNVBAGLBSA-N 0 3 379.276 2.952 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522383 655352035 /nfs/dbraw/zinc/35/20/35/655352035.db2.gz WKJXTEFRBHZQKK-HOCLYGCPSA-N 0 3 382.873 2.672 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000809808387 659940361 /nfs/dbraw/zinc/94/03/61/659940361.db2.gz QZNUFCQXMXBGBM-WDEREUQCSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000809808387 659940366 /nfs/dbraw/zinc/94/03/66/659940366.db2.gz QZNUFCQXMXBGBM-WDEREUQCSA-N 0 3 393.868 2.929 20 5 GFBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813479553 660055403 /nfs/dbraw/zinc/05/54/03/660055403.db2.gz ABGXHZCUJBOAPQ-GFCCVEGCSA-N 0 3 388.251 2.885 20 5 GFBDHN O=[N+]([O-])c1c(Br)cccc1N1CCN(CC2CCOCC2)CC1 ZINC000856730870 662039270 /nfs/dbraw/zinc/03/92/70/662039270.db2.gz SXWAOVXBTBTADW-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000865718098 662438679 /nfs/dbraw/zinc/43/86/79/662438679.db2.gz VEMFXIYGGAHXFI-CYBMUJFWSA-N 0 3 382.258 2.595 20 5 GFBDHN O=[N+]([O-])c1ccc(Br)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000929796122 664757781 /nfs/dbraw/zinc/75/77/81/664757781.db2.gz OUHTVZDDHLXFLJ-CYBMUJFWSA-N 0 3 384.274 2.511 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870903 721046328 /nfs/dbraw/zinc/04/63/28/721046328.db2.gz XJQMUJCVHAOPOA-HOTGVXAUSA-N 0 3 389.843 2.518 20 5 GFBDHN CC(C)CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000049968819 551160202 /nfs/dbraw/zinc/16/02/02/551160202.db2.gz OOKOEOJYVOVIPD-UHFFFAOYSA-N 0 3 399.289 2.569 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176722378 552144748 /nfs/dbraw/zinc/14/47/48/552144748.db2.gz DGHGWJWDEWYPJE-ZDUSSCGKSA-N 0 3 387.889 2.663 20 5 GFBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000182278592 552280061 /nfs/dbraw/zinc/28/00/61/552280061.db2.gz PAOUFQLCPFWDGC-TZMCWYRMSA-N 0 3 386.246 2.843 20 5 GFBDHN CC(C)(CO)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000294688119 563213021 /nfs/dbraw/zinc/21/30/21/563213021.db2.gz CDXXYUYQDQUILQ-UHFFFAOYSA-N 0 3 378.210 2.698 20 5 GFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301860777 563413879 /nfs/dbraw/zinc/41/38/79/563413879.db2.gz TVAOWBLYYOWEBG-AWEZNQCLSA-N 0 3 399.289 2.834 20 5 GFBDHN COC(=O)CC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000425411011 563420981 /nfs/dbraw/zinc/42/09/81/563420981.db2.gz CJMDPCYAAGPEDI-UHFFFAOYSA-N 0 3 387.230 2.559 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000408001175 563541164 /nfs/dbraw/zinc/54/11/64/563541164.db2.gz AVIAMLCLYAENOC-ZYHUDNBSSA-N 0 3 382.258 2.974 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cncn3)o2)c(Br)c1 ZINC000409517791 563563722 /nfs/dbraw/zinc/56/37/22/563563722.db2.gz AFRUUVIBYBSGSE-UHFFFAOYSA-N 0 3 392.213 2.999 20 5 GFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2CCS(=O)(=O)CC2)c1 ZINC000507835869 564244038 /nfs/dbraw/zinc/24/40/38/564244038.db2.gz YAZDVNRATMUOIU-UHFFFAOYSA-N 0 3 378.397 2.501 20 5 GFBDHN CC(C)[C@@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761515 564248433 /nfs/dbraw/zinc/24/84/33/564248433.db2.gz YEHLEAYZJUVSQZ-CYBMUJFWSA-N 0 3 378.210 2.696 20 5 GFBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542508314 564316154 /nfs/dbraw/zinc/31/61/54/564316154.db2.gz FQMOMMZUAOZVSB-UHFFFAOYSA-N 0 3 387.278 2.974 20 5 GFBDHN C[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@@H]1C1CC1 ZINC000543236650 564343838 /nfs/dbraw/zinc/34/38/38/564343838.db2.gz VLKBEBOIYQULOW-HZPDHXFCSA-N 0 3 398.257 2.843 20 5 GFBDHN C[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@H]1C1CC1 ZINC000543236651 564343941 /nfs/dbraw/zinc/34/39/41/564343941.db2.gz VLKBEBOIYQULOW-JKSUJKDBSA-N 0 3 398.257 2.843 20 5 GFBDHN C[C@@H]1CC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622017 564460311 /nfs/dbraw/zinc/46/03/11/564460311.db2.gz ANZDOOWGKLYPEB-RNCFNFMXSA-N 0 3 376.194 2.857 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCC2(CCO)CCC2)c1 ZINC000572208384 564585422 /nfs/dbraw/zinc/58/54/22/564585422.db2.gz KHDXVCXGHDMOES-UHFFFAOYSA-N 0 3 390.221 2.842 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC2(CCO)CCCC2)c1 ZINC000521319677 564624959 /nfs/dbraw/zinc/62/49/59/564624959.db2.gz HPCHZWNMLZKCLL-UHFFFAOYSA-N 0 3 390.221 2.984 20 5 GFBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000490533782 564775825 /nfs/dbraw/zinc/77/58/25/564775825.db2.gz GTYUCPKJISXADA-CQSZACIVSA-N 0 3 394.280 2.618 20 5 GFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1N(C)C ZINC000490860691 564783285 /nfs/dbraw/zinc/78/32/85/564783285.db2.gz SVPDPSPLVRSIQT-OLZOCXBDSA-N 0 3 377.388 2.731 20 5 GFBDHN COC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000583528460 564895842 /nfs/dbraw/zinc/89/58/42/564895842.db2.gz VXGYEAGQGMCEBK-CYBMUJFWSA-N 0 3 378.210 2.960 20 5 GFBDHN CCC(CC)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254291 565157271 /nfs/dbraw/zinc/15/72/71/565157271.db2.gz JSROJDKDUHDRDB-UHFFFAOYSA-N 0 3 378.210 2.840 20 5 GFBDHN CC1(C)C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000594953884 565436959 /nfs/dbraw/zinc/43/69/59/565436959.db2.gz KGJKGQSLUMVYHS-LLVKDONJSA-N 0 3 376.194 2.857 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000603958699 565920531 /nfs/dbraw/zinc/92/05/31/565920531.db2.gz LGDKGJVXKJDREK-LLVKDONJSA-N 0 3 375.878 2.567 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368970 598944714 /nfs/dbraw/zinc/94/47/14/598944714.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368970 598944717 /nfs/dbraw/zinc/94/47/17/598944717.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368970 598944719 /nfs/dbraw/zinc/94/47/19/598944719.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368970 598944721 /nfs/dbraw/zinc/94/47/21/598944721.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 0 3 379.424 2.851 20 5 GFBDHN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290963 598976645 /nfs/dbraw/zinc/97/66/45/598976645.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290963 598976646 /nfs/dbraw/zinc/97/66/46/598976646.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290963 598976647 /nfs/dbraw/zinc/97/66/47/598976647.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290963 598976648 /nfs/dbraw/zinc/97/66/48/598976648.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823651690 599200849 /nfs/dbraw/zinc/20/08/49/599200849.db2.gz NOMUUNHWACGVSQ-UHFFFAOYSA-N 0 3 386.460 2.771 20 5 GFBDHN O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823651690 599200850 /nfs/dbraw/zinc/20/08/50/599200850.db2.gz NOMUUNHWACGVSQ-UHFFFAOYSA-N 0 3 386.460 2.771 20 5 GFBDHN C[NH+](C)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000736756050 599254649 /nfs/dbraw/zinc/25/46/49/599254649.db2.gz HRTOFFSKTDSPPY-UHFFFAOYSA-N 0 3 396.455 3.000 20 5 GFBDHN C[NH+](C)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000736756050 599254651 /nfs/dbraw/zinc/25/46/51/599254651.db2.gz HRTOFFSKTDSPPY-UHFFFAOYSA-N 0 3 396.455 3.000 20 5 GFBDHN CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399411 607553222 /nfs/dbraw/zinc/55/32/22/607553222.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399411 607553224 /nfs/dbraw/zinc/55/32/24/607553224.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399411 607553227 /nfs/dbraw/zinc/55/32/27/607553227.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399411 607553228 /nfs/dbraw/zinc/55/32/28/607553228.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 0 3 382.424 2.891 20 5 GFBDHN COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202125 608287069 /nfs/dbraw/zinc/28/70/69/608287069.db2.gz PAQIPVSPWFQVKI-CYBMUJFWSA-N 0 3 382.424 2.894 20 5 GFBDHN COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202125 608287070 /nfs/dbraw/zinc/28/70/70/608287070.db2.gz PAQIPVSPWFQVKI-CYBMUJFWSA-N 0 3 382.424 2.894 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426508 608370805 /nfs/dbraw/zinc/37/08/05/608370805.db2.gz GTLSLSIVKIIKNM-ZDUSSCGKSA-N 0 3 396.455 2.857 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426508 608370807 /nfs/dbraw/zinc/37/08/07/608370807.db2.gz GTLSLSIVKIIKNM-ZDUSSCGKSA-N 0 3 396.455 2.857 20 5 GFBDHN O=[N+]([O-])c1c(Br)cccc1N1CCC(CN2CCOCC2)CC1 ZINC000820629053 660301026 /nfs/dbraw/zinc/30/10/26/660301026.db2.gz FMZSIGXGJBGBOA-UHFFFAOYSA-N 0 3 384.274 2.906 20 5 GFBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000778097439 656862788 /nfs/dbraw/zinc/86/27/88/656862788.db2.gz BFITVHBLBBDZBA-UHFFFAOYSA-N 0 3 375.516 2.931 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000798463841 659108900 /nfs/dbraw/zinc/10/89/00/659108900.db2.gz CWDRIVOQTDJGNH-UHFFFAOYSA-N 0 3 375.878 2.663 20 5 GFBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809836584 659947557 /nfs/dbraw/zinc/94/75/57/659947557.db2.gz OLESHLPXDHAUID-UHFFFAOYSA-N 0 3 384.285 2.910 20 5 GFBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809836584 659947560 /nfs/dbraw/zinc/94/75/60/659947560.db2.gz OLESHLPXDHAUID-UHFFFAOYSA-N 0 3 384.285 2.910 20 5 GFBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813113063 660044340 /nfs/dbraw/zinc/04/43/40/660044340.db2.gz WXTXDMYFTMRREV-PWZJLYFZSA-N 0 3 375.208 2.721 20 5 GFBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813451800 660054445 /nfs/dbraw/zinc/05/44/45/660054445.db2.gz RDGFMANLBMLUBI-LLVKDONJSA-N 0 3 389.283 2.657 20 5 GFBDHN COCCN1CCC[C@H]1COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000861035076 662224888 /nfs/dbraw/zinc/22/48/88/662224888.db2.gz SAUZIZHBEUHIQQ-ZDUSSCGKSA-N 0 3 387.230 2.625 20 5 GFBDHN C[C@@](CO)(NC[C@@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271970 662922232 /nfs/dbraw/zinc/92/22/32/662922232.db2.gz JQKXRZGZAMKEDD-SJORKVTESA-N 0 3 395.253 2.888 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000881863858 663006726 /nfs/dbraw/zinc/00/67/26/663006726.db2.gz UFWLQALVKPPIKJ-UHFFFAOYSA-N 0 3 375.878 2.519 20 5 GFBDHN CC1(C)CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000890075217 663283533 /nfs/dbraw/zinc/28/35/33/663283533.db2.gz DLVLLUJPTFLGRP-UHFFFAOYSA-N 0 3 388.237 2.958 20 5 GFBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991684 663536311 /nfs/dbraw/zinc/53/63/11/663536311.db2.gz YRLOKBBKJHYVRE-RKDXNWHRSA-N 0 3 392.214 2.634 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCOC23CCOCC3)cc1Br ZINC000898116691 663634177 /nfs/dbraw/zinc/63/41/77/663634177.db2.gz USOOZFFTSUJDKM-NSHDSACASA-N 0 3 377.260 2.847 20 5 GFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000024086439 204817672 /nfs/dbraw/zinc/81/76/72/204817672.db2.gz USQKZRLEICAJIX-UHFFFAOYSA-N 0 3 381.436 2.552 20 5 GFBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCS(=O)(=O)CC3)cs2)c1 ZINC000120748166 551221811 /nfs/dbraw/zinc/22/18/11/551221811.db2.gz IARYFTRKRCKDSI-UHFFFAOYSA-N 0 3 381.479 2.633 20 5 GFBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564855 551553882 /nfs/dbraw/zinc/55/38/82/551553882.db2.gz BSVVGYQRWGLFME-LBPRGKRZSA-N 0 3 387.889 2.886 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000183712938 552317243 /nfs/dbraw/zinc/31/72/43/552317243.db2.gz SIBCZVMEQJVUBS-ZDUSSCGKSA-N 0 3 387.889 2.663 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103196 553102433 /nfs/dbraw/zinc/10/24/33/553102433.db2.gz HPBPPBHJEXYSIB-QMTHXVAHSA-N 0 3 375.878 2.517 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657510 553150140 /nfs/dbraw/zinc/15/01/40/553150140.db2.gz ZYMQJWXJUVZSRI-GXTWGEPZSA-N 0 3 387.889 2.661 20 5 GFBDHN CN1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000374296888 563367563 /nfs/dbraw/zinc/36/75/63/563367563.db2.gz QREDUGLXXLVRGD-UHFFFAOYSA-N 0 3 396.285 2.987 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000425466093 563423943 /nfs/dbraw/zinc/42/39/43/563423943.db2.gz AXECEFZFEMJHCK-JKSUJKDBSA-N 0 3 385.258 2.767 20 5 GFBDHN O=[N+]([O-])c1cc(CNC2CCC(N3CCCS3(=O)=O)CC2)ccc1Cl ZINC000377955757 563492462 /nfs/dbraw/zinc/49/24/62/563492462.db2.gz OAPZSOKVCYWGPT-UHFFFAOYSA-N 0 3 387.889 2.685 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290827911 563722636 /nfs/dbraw/zinc/72/26/36/563722636.db2.gz UHDOPTRGLCTCFR-SNVBAGLBSA-N 0 3 393.868 2.738 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(Br)cs1 ZINC000568928053 564440480 /nfs/dbraw/zinc/44/04/80/564440480.db2.gz LOZIDVJFXRXROI-LLVKDONJSA-N 0 3 387.255 2.948 20 5 GFBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000569292265 564457177 /nfs/dbraw/zinc/45/71/77/564457177.db2.gz HOXFGDUUEWMPNP-UHFFFAOYSA-N 0 3 378.210 2.792 20 5 GFBDHN C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000570917452 564527059 /nfs/dbraw/zinc/52/70/59/564527059.db2.gz FCFKZUZQODJEEC-GFCCVEGCSA-N 0 3 383.495 2.865 20 5 GFBDHN Cc1c(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572815301 564611089 /nfs/dbraw/zinc/61/10/89/564611089.db2.gz WXJPFPQPUUXYGG-YGRLFVJLSA-N 0 3 383.246 2.834 20 5 GFBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000523862566 564673936 /nfs/dbraw/zinc/67/39/36/564673936.db2.gz WGMMFNUEVXHOQY-AWEZNQCLSA-N 0 3 377.894 2.893 20 5 GFBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554935073 564778064 /nfs/dbraw/zinc/77/80/64/564778064.db2.gz KVCQRMUKOYMJAO-WDEREUQCSA-N 0 3 389.237 2.724 20 5 GFBDHN C[C@H]1[C@H](C)N(Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000554935072 564778092 /nfs/dbraw/zinc/77/80/92/564778092.db2.gz KVCQRMUKOYMJAO-QWRGUYRKSA-N 0 3 389.237 2.724 20 5 GFBDHN O=[N+]([O-])c1cccc(CNCCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000466384156 564939537 /nfs/dbraw/zinc/93/95/37/564939537.db2.gz QZCGANVXWRTOJO-UHFFFAOYSA-N 0 3 383.857 2.706 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000501491004 564981323 /nfs/dbraw/zinc/98/13/23/564981323.db2.gz LDUBVBXJTMZTDZ-HNNXBMFYSA-N 0 3 380.853 2.779 20 5 GFBDHN CC[C@@](C)(CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315663 565161932 /nfs/dbraw/zinc/16/19/32/565161932.db2.gz NLPCPDNQZROWBE-ZDUSSCGKSA-N 0 3 378.210 2.840 20 5 GFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716672 565572196 /nfs/dbraw/zinc/57/21/96/565572196.db2.gz RLBZIFBXMJJEJT-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN COCC1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602670488 565862677 /nfs/dbraw/zinc/86/26/77/565862677.db2.gz DPYINKGHTBTYMJ-UHFFFAOYSA-N 0 3 379.276 2.952 20 5 GFBDHN Cc1c(Br)c(NC2CCN([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000612449093 566163367 /nfs/dbraw/zinc/16/33/67/566163367.db2.gz YPONSVSRKJJFEO-LBPRGKRZSA-N 0 3 385.262 2.726 20 5 GFBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060553 /nfs/dbraw/zinc/06/05/53/599060553.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060556 /nfs/dbraw/zinc/06/05/56/599060556.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060559 /nfs/dbraw/zinc/06/05/59/599060559.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 0 3 396.455 2.634 20 5 GFBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060562 /nfs/dbraw/zinc/06/05/62/599060562.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 0 3 396.455 2.634 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476581 /nfs/dbraw/zinc/47/65/81/599476581.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476583 /nfs/dbraw/zinc/47/65/83/599476583.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476585 /nfs/dbraw/zinc/47/65/85/599476585.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476587 /nfs/dbraw/zinc/47/65/87/599476587.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820227099 607012230 /nfs/dbraw/zinc/01/22/30/607012230.db2.gz YIRPBNOQBXFRIH-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820227099 607012232 /nfs/dbraw/zinc/01/22/32/607012232.db2.gz YIRPBNOQBXFRIH-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820227101 607012293 /nfs/dbraw/zinc/01/22/93/607012293.db2.gz YIRPBNOQBXFRIH-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820227101 607012295 /nfs/dbraw/zinc/01/22/95/607012295.db2.gz YIRPBNOQBXFRIH-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765217 660441209 /nfs/dbraw/zinc/44/12/09/660441209.db2.gz VFDMDNCNTZAJDM-GHMZBOCLSA-N 0 3 385.262 2.745 20 5 GFBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854620 654765129 /nfs/dbraw/zinc/76/51/29/654765129.db2.gz QCRQWPGYQOKLSR-LBPRGKRZSA-N 0 3 375.878 2.567 20 5 GFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273147734 655132110 /nfs/dbraw/zinc/13/21/10/655132110.db2.gz WJOFMIABSDOBIJ-HOTGVXAUSA-N 0 3 381.226 2.714 20 5 GFBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000733796312 655621079 /nfs/dbraw/zinc/62/10/79/655621079.db2.gz IAWYZVOMDKDKEO-UHFFFAOYSA-N 0 3 375.878 2.791 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCC(CN2CCOCC2)CC1 ZINC000768304242 656236740 /nfs/dbraw/zinc/23/67/40/656236740.db2.gz VMDLMCWKXCDMBL-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160739 661240149 /nfs/dbraw/zinc/24/01/49/661240149.db2.gz FWLPVLIRKNSQAK-KCJUWKMLSA-N 0 3 387.234 2.592 20 5 GFBDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810195 656252193 /nfs/dbraw/zinc/25/21/93/656252193.db2.gz DRCYSQKDUQJNGL-VXGBXAGGSA-N 0 3 375.516 2.691 20 5 GFBDHN C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000783724026 657254730 /nfs/dbraw/zinc/25/47/30/657254730.db2.gz SOJXDKVHDRRRDQ-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN CC(C)[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N(C)C ZINC000803547425 659588665 /nfs/dbraw/zinc/58/86/65/659588665.db2.gz YEYVHARUYHSBRO-HNNXBMFYSA-N 0 3 384.274 2.828 20 5 GFBDHN CC(COC(=O)CCCOc1ccc(I)cc1)[N+](=O)[O-] ZINC000813112275 660044201 /nfs/dbraw/zinc/04/42/01/660044201.db2.gz OWLHROGKVAMTNB-JTQLQIEISA-N 0 3 393.177 2.659 20 5 GFBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000865718099 662438609 /nfs/dbraw/zinc/43/86/09/662438609.db2.gz VEMFXIYGGAHXFI-ZDUSSCGKSA-N 0 3 382.258 2.595 20 5 GFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H](CO)c3ccc(Br)c(F)c3)C2)c1 ZINC000877545972 662878684 /nfs/dbraw/zinc/87/86/84/662878684.db2.gz NHGSXMVSXTUZEU-QKFMDRJYSA-N 0 3 399.220 2.720 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882770147 663041326 /nfs/dbraw/zinc/04/13/26/663041326.db2.gz ZXROSMYOACOZCK-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000932208753 664813648 /nfs/dbraw/zinc/81/36/48/664813648.db2.gz HQTFVACJYQLSCJ-CQSZACIVSA-N 0 3 394.225 2.632 20 5 GFBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC000121934034 551292992 /nfs/dbraw/zinc/29/29/92/551292992.db2.gz DRBIWQZQGWENRT-UHFFFAOYSA-N 0 3 381.376 2.554 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486472 551298833 /nfs/dbraw/zinc/29/88/33/551298833.db2.gz BDEJSTOEHSMEDQ-ZDUSSCGKSA-N 0 3 382.258 2.880 20 5 GFBDHN CN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152559968 551435304 /nfs/dbraw/zinc/43/53/04/551435304.db2.gz DICNMSBMOJXGRJ-VIFPVBQESA-N 0 3 376.638 2.835 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733459 553133998 /nfs/dbraw/zinc/13/39/98/553133998.db2.gz BINKVOJYPRBBPE-WCQYABFASA-N 0 3 382.258 2.914 20 5 GFBDHN C[C@@H]1CC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622016 564460583 /nfs/dbraw/zinc/46/05/83/564460583.db2.gz ANZDOOWGKLYPEB-NOZJJQNGSA-N 0 3 376.194 2.857 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]Cc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000466843529 564948678 /nfs/dbraw/zinc/94/86/78/564948678.db2.gz FVRWRQPEVSBZQJ-UHFFFAOYSA-N 0 3 383.495 2.547 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000590165264 565180157 /nfs/dbraw/zinc/18/01/57/565180157.db2.gz BDVIYLUXVPYWHB-INIZCTEOSA-N 0 3 387.889 2.663 20 5 GFBDHN Cc1c(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc(Br)cc1[N+](=O)[O-] ZINC000595231939 565456905 /nfs/dbraw/zinc/45/69/05/565456905.db2.gz JQJDHSLEQIDFCI-NXEZZACHSA-N 0 3 375.198 2.569 20 5 GFBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422759 565782501 /nfs/dbraw/zinc/78/25/01/565782501.db2.gz YGLOOQWZIUTDQJ-KCJUWKMLSA-N 0 3 382.269 2.615 20 5 GFBDHN CCN1CCN([C@H](C)CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602515901 565852793 /nfs/dbraw/zinc/85/27/93/565852793.db2.gz SXGPDZOJLDCUCG-LLVKDONJSA-N 0 3 391.335 2.534 20 5 GFBDHN Cc1c(Br)c(N[C@H]2CCN(C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000612444826 566162073 /nfs/dbraw/zinc/16/20/73/566162073.db2.gz TXRBFXLCKDGJBM-LBPRGKRZSA-N 0 3 398.305 2.641 20 5 GFBDHN Cc1c(Br)c(N[C@@H]2CCN(C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000612444825 566162610 /nfs/dbraw/zinc/16/26/10/566162610.db2.gz TXRBFXLCKDGJBM-GFCCVEGCSA-N 0 3 398.305 2.641 20 5 GFBDHN CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000736213554 598246064 /nfs/dbraw/zinc/24/60/64/598246064.db2.gz KFCOEQQREGZPOV-UHFFFAOYSA-N 0 3 393.451 2.876 20 5 GFBDHN CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736213554 598246065 /nfs/dbraw/zinc/24/60/65/598246065.db2.gz KFCOEQQREGZPOV-UHFFFAOYSA-N 0 3 393.451 2.876 20 5 GFBDHN COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nnn[n-]1 ZINC000826201917 608286585 /nfs/dbraw/zinc/28/65/85/608286585.db2.gz IEKIEDMFYMSJNV-QGZVFWFLSA-N 0 3 394.435 2.894 20 5 GFBDHN COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[n-]n1 ZINC000826201917 608286587 /nfs/dbraw/zinc/28/65/87/608286587.db2.gz IEKIEDMFYMSJNV-QGZVFWFLSA-N 0 3 394.435 2.894 20 5 GFBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854384 654765111 /nfs/dbraw/zinc/76/51/11/654765111.db2.gz QCRQWPGYQOKLSR-GFCCVEGCSA-N 0 3 375.878 2.567 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272554790 655116137 /nfs/dbraw/zinc/11/61/37/655116137.db2.gz RLNYRUBWJPWSEM-GFCCVEGCSA-N 0 3 389.905 2.907 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000176717224 655253331 /nfs/dbraw/zinc/25/33/31/655253331.db2.gz BDTMRJDTXLGMNN-LBPRGKRZSA-N 0 3 375.878 2.519 20 5 GFBDHN CN1CCC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770534 658021289 /nfs/dbraw/zinc/02/12/89/658021289.db2.gz RLVFIOSPQUGPHA-LLVKDONJSA-N 0 3 397.273 2.519 20 5 GFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798174638 659079139 /nfs/dbraw/zinc/07/91/39/659079139.db2.gz IESVIAJVRWIENL-UHFFFAOYSA-N 0 3 397.229 2.549 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000814990023 660100373 /nfs/dbraw/zinc/10/03/73/660100373.db2.gz YEVTWDZADIMCFK-MNOVXSKESA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000814990023 660100375 /nfs/dbraw/zinc/10/03/75/660100375.db2.gz YEVTWDZADIMCFK-MNOVXSKESA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@@H]1CCN(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053618 661622881 /nfs/dbraw/zinc/62/28/81/661622881.db2.gz SFZQWOFZJMZKEG-LLVKDONJSA-N 0 3 382.258 2.584 20 5 GFBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631717 662432989 /nfs/dbraw/zinc/43/29/89/662432989.db2.gz HNJHHSANTLVYQX-ZDUSSCGKSA-N 0 3 387.267 2.820 20 5 GFBDHN O=C(OCc1ccc(Br)cc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924055035 664645843 /nfs/dbraw/zinc/64/58/43/664645843.db2.gz WELKWGRKZHBGCP-ZDUSSCGKSA-N 0 3 397.225 2.802 20 5 GFBDHN CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728767 720431461 /nfs/dbraw/zinc/43/14/61/720431461.db2.gz GIMLQFSXXCBNJF-GBSQEQHRSA-N 0 3 394.479 2.770 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723415 552144762 /nfs/dbraw/zinc/14/47/62/552144762.db2.gz XZRIIYLNVKRJHP-WCQYABFASA-N 0 3 375.878 2.517 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccc(Br)cc2)CC1 ZINC000180519992 552228523 /nfs/dbraw/zinc/22/85/23/552228523.db2.gz AISJCXLVXIKZOQ-UHFFFAOYSA-N 0 3 378.226 2.798 20 5 GFBDHN CC1(C)COC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449621734 564193331 /nfs/dbraw/zinc/19/33/31/564193331.db2.gz AKHWDMBLSSFYAN-GFCCVEGCSA-N 0 3 376.194 2.714 20 5 GFBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1c1ccccc1 ZINC000374448813 563372412 /nfs/dbraw/zinc/37/24/12/563372412.db2.gz JZAVHEDVMHCUAT-GOEBONIOSA-N 0 3 390.237 2.924 20 5 GFBDHN O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000301142608 563393756 /nfs/dbraw/zinc/39/37/56/563393756.db2.gz HANRFNYPRRXVHZ-LBPRGKRZSA-N 0 3 387.221 2.874 20 5 GFBDHN C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376212757 563433797 /nfs/dbraw/zinc/43/37/97/563433797.db2.gz VTCWCCRVPDWGFW-ZFWWWQNUSA-N 0 3 397.317 2.820 20 5 GFBDHN CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330551711 563510387 /nfs/dbraw/zinc/51/03/87/563510387.db2.gz SKJMRAACYTUBNX-OLZOCXBDSA-N 0 3 377.388 2.731 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000331581250 563553862 /nfs/dbraw/zinc/55/38/62/563553862.db2.gz WPYTZOQNSXGLJK-BJOHPYRUSA-N 0 3 382.258 2.878 20 5 GFBDHN CCc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000537938215 564178552 /nfs/dbraw/zinc/17/85/52/564178552.db2.gz QVCDEXQUZDWORA-GFCCVEGCSA-N 0 3 383.495 2.848 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000537992311 564179503 /nfs/dbraw/zinc/17/95/03/564179503.db2.gz YPMVFGUSWQTPFM-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN CO[C@@H]1CCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449522882 564189824 /nfs/dbraw/zinc/18/98/24/564189824.db2.gz LXVHHTVGGROXIG-CHWSQXEVSA-N 0 3 376.194 2.857 20 5 GFBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611278 564348013 /nfs/dbraw/zinc/34/80/13/564348013.db2.gz YZRRQSIMTBXVOW-LBPRGKRZSA-N 0 3 375.878 2.791 20 5 GFBDHN C[NH+](C)CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000544724765 564396221 /nfs/dbraw/zinc/39/62/21/564396221.db2.gz GBHPPZDWTFFFBL-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN C/C=C\C[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615092 564426919 /nfs/dbraw/zinc/42/69/19/564426919.db2.gz YGVFOINHMPRPKN-ZZKXABKFSA-N 0 3 376.194 2.616 20 5 GFBDHN C[C@@H]1CN(C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053490 564868250 /nfs/dbraw/zinc/86/82/50/564868250.db2.gz JHTXRSUKBVREDZ-SKDRFNHKSA-N 0 3 381.230 2.996 20 5 GFBDHN Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000503587798 565023972 /nfs/dbraw/zinc/02/39/72/565023972.db2.gz YTRFOTQIEPRSCZ-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN COCC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000594515811 565397173 /nfs/dbraw/zinc/39/71/73/565397173.db2.gz RTOOSFVMNYMRMQ-UHFFFAOYSA-N 0 3 376.194 2.716 20 5 GFBDHN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000594712267 565411024 /nfs/dbraw/zinc/41/10/24/565411024.db2.gz ULAIMAAXSGPSCL-NSHDSACASA-N 0 3 393.241 2.833 20 5 GFBDHN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000595056525 565446150 /nfs/dbraw/zinc/44/61/50/565446150.db2.gz KUWMCWNWRUXTIH-NSHDSACASA-N 0 3 393.241 2.833 20 5 GFBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376933 565779336 /nfs/dbraw/zinc/77/93/36/565779336.db2.gz WPZYBHJJXDOYTG-TZMCWYRMSA-N 0 3 385.511 2.602 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290629 565837452 /nfs/dbraw/zinc/83/74/52/565837452.db2.gz IFLFNCWPWMYAQR-WCQYABFASA-N 0 3 382.258 2.914 20 5 GFBDHN CCN1CCN(CCCNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602589982 565856240 /nfs/dbraw/zinc/85/62/40/565856240.db2.gz ARWZCDZIBLWEGI-UHFFFAOYSA-N 0 3 391.335 2.536 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000602584232 565856777 /nfs/dbraw/zinc/85/67/77/565856777.db2.gz YSSUCEINBWBBCB-NOZJJQNGSA-N 0 3 377.260 2.847 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000602827096 565869338 /nfs/dbraw/zinc/86/93/38/565869338.db2.gz OKWWDOVKNLLQJD-HNNXBMFYSA-N 0 3 380.246 2.998 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196299 566032579 /nfs/dbraw/zinc/03/25/79/566032579.db2.gz LDCJXYYJGDUFSW-GFCCVEGCSA-N 0 3 375.878 2.791 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196299 566032584 /nfs/dbraw/zinc/03/25/84/566032584.db2.gz LDCJXYYJGDUFSW-GFCCVEGCSA-N 0 3 375.878 2.791 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711413 599477556 /nfs/dbraw/zinc/47/75/56/599477556.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711413 599477559 /nfs/dbraw/zinc/47/75/59/599477559.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711413 599477562 /nfs/dbraw/zinc/47/75/62/599477562.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711413 599477563 /nfs/dbraw/zinc/47/75/63/599477563.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 0 3 396.455 2.855 20 5 GFBDHN CC[C@@H](C[NH+]1CCCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903860 606936683 /nfs/dbraw/zinc/93/66/83/606936683.db2.gz YWOAZAVROFSQTD-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[C@@H](C[NH+]1CCCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903860 606936685 /nfs/dbraw/zinc/93/66/85/606936685.db2.gz YWOAZAVROFSQTD-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225543 607013653 /nfs/dbraw/zinc/01/36/53/607013653.db2.gz KTZXWABDHWQIDP-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225543 607013654 /nfs/dbraw/zinc/01/36/54/607013654.db2.gz KTZXWABDHWQIDP-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269710 608191088 /nfs/dbraw/zinc/19/10/88/608191088.db2.gz UNPNRMPPOJLTFM-UHFFFAOYSA-N 0 3 381.440 2.652 20 5 GFBDHN O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826499070 608520558 /nfs/dbraw/zinc/52/05/58/608520558.db2.gz UUYJJNQDKSWCAU-GOSISDBHSA-N 0 3 380.408 2.821 20 5 GFBDHN O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826499070 608520559 /nfs/dbraw/zinc/52/05/59/608520559.db2.gz UUYJJNQDKSWCAU-GOSISDBHSA-N 0 3 380.408 2.821 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281282 654773683 /nfs/dbraw/zinc/77/36/83/654773683.db2.gz HDRVBFUKZFIOTJ-OCCSQVGLSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000267908113 654951518 /nfs/dbraw/zinc/95/15/18/654951518.db2.gz BYMHPGWUOFEGAR-SCZZXKLOSA-N 0 3 386.221 2.851 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000177616765 655283421 /nfs/dbraw/zinc/28/34/21/655283421.db2.gz PJNQDFKJQZWJAI-CYBMUJFWSA-N 0 3 387.889 2.806 20 5 GFBDHN Cc1sc2nc(CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000813113412 660044417 /nfs/dbraw/zinc/04/44/17/660044417.db2.gz DJDNAWYGMBVHMM-GMSGAONNSA-N 0 3 385.467 2.844 20 5 GFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836276 662837984 /nfs/dbraw/zinc/83/79/84/662837984.db2.gz DYOLIJLWYQLEGV-HUUCEWRRSA-N 0 3 382.258 2.595 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000882047264 663014874 /nfs/dbraw/zinc/01/48/74/663014874.db2.gz QDKJWPZQHCDRJK-GFCCVEGCSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000883601109 663057735 /nfs/dbraw/zinc/05/77/35/663057735.db2.gz QUTTXGBITHPKAL-NSHDSACASA-N 0 3 397.273 2.807 20 5 GFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447597 663558066 /nfs/dbraw/zinc/55/80/66/663558066.db2.gz ZAHGCVZNDKSQNA-ZIAGYGMSSA-N 0 3 397.273 2.735 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000932210050 664813636 /nfs/dbraw/zinc/81/36/36/664813636.db2.gz NGXNYHORNFGMEC-CYBMUJFWSA-N 0 3 381.230 2.976 20 5 GFBDHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056043394 551175967 /nfs/dbraw/zinc/17/59/67/551175967.db2.gz NICSDILVTBNEHI-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN CN(CC1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151834343 551422158 /nfs/dbraw/zinc/42/21/58/551422158.db2.gz GQLCGRLQRVHHHB-UHFFFAOYSA-N 0 3 384.274 2.700 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853800 551441029 /nfs/dbraw/zinc/44/10/29/551441029.db2.gz ZYMQJWXJUVZSRI-OCCSQVGLSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000158614666 551554268 /nfs/dbraw/zinc/55/42/68/551554268.db2.gz RHQRTQVZTPPUMS-GFCCVEGCSA-N 0 3 387.889 2.886 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000180161416 552215564 /nfs/dbraw/zinc/21/55/64/552215564.db2.gz KAHJCRWYJUUFGU-CHWSQXEVSA-N 0 3 387.889 2.661 20 5 GFBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000182278533 552280455 /nfs/dbraw/zinc/28/04/55/552280455.db2.gz PAOUFQLCPFWDGC-JSGCOSHPSA-N 0 3 386.246 2.843 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000189212332 552465952 /nfs/dbraw/zinc/46/59/52/552465952.db2.gz LWQLPJNFHZKTIO-UHFFFAOYSA-N 0 3 381.841 2.638 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000252671483 553150508 /nfs/dbraw/zinc/15/05/08/553150508.db2.gz VXFWDBWZQDGUPD-XHDPSFHLSA-N 0 3 382.258 2.914 20 5 GFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000374315749 563368191 /nfs/dbraw/zinc/36/81/91/563368191.db2.gz ZJEVFWHUBRQCJW-XJKSGUPXSA-N 0 3 397.317 2.820 20 5 GFBDHN CN(C)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591362 563407916 /nfs/dbraw/zinc/40/79/16/563407916.db2.gz QUKOYYRSGWOFFE-GHMZBOCLSA-N 0 3 377.413 2.876 20 5 GFBDHN C[C@@H]1CCC[C@@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301935141 563416088 /nfs/dbraw/zinc/41/60/88/563416088.db2.gz PBBJJRLJEVVNLX-IAQYHMDHSA-N 0 3 375.516 2.982 20 5 GFBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cs1 ZINC000375749787 563416955 /nfs/dbraw/zinc/41/69/55/563416955.db2.gz HSNGEPILDVWUIX-LLVKDONJSA-N 0 3 387.508 2.518 20 5 GFBDHN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376212754 563433408 /nfs/dbraw/zinc/43/34/08/563433408.db2.gz VTCWCCRVPDWGFW-HIFRSBDPSA-N 0 3 397.317 2.820 20 5 GFBDHN CC(C)(O)CN1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000364119924 563744081 /nfs/dbraw/zinc/74/40/81/563744081.db2.gz KTBNFMDKCSHNGN-UHFFFAOYSA-N 0 3 386.290 2.636 20 5 GFBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077704 563772399 /nfs/dbraw/zinc/77/23/99/563772399.db2.gz QRLMXTVUUQVVPD-CQSZACIVSA-N 0 3 394.280 2.618 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416553669 563847528 /nfs/dbraw/zinc/84/75/28/563847528.db2.gz CQGKEBFQUBAFJW-GFCCVEGCSA-N 0 3 375.878 2.567 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000567545479 564376510 /nfs/dbraw/zinc/37/65/10/564376510.db2.gz XFVNRZMCJQYVPN-UHFFFAOYSA-N 0 3 376.194 2.546 20 5 GFBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@@H]1C1CC1 ZINC000543236648 564343668 /nfs/dbraw/zinc/34/36/68/564343668.db2.gz VLKBEBOIYQULOW-CVEARBPZSA-N 0 3 398.257 2.843 20 5 GFBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000452177536 564398033 /nfs/dbraw/zinc/39/80/33/564398033.db2.gz XQJMVIPHUKMESZ-LBPRGKRZSA-N 0 3 396.285 2.843 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(Br)cc1 ZINC000574565096 564679448 /nfs/dbraw/zinc/67/94/48/564679448.db2.gz HJLSDJHLRLSEDD-AWEZNQCLSA-N 0 3 381.226 2.887 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387740 564699854 /nfs/dbraw/zinc/69/98/54/564699854.db2.gz JCBXXSRADCUVJA-VXGBXAGGSA-N 0 3 375.878 2.742 20 5 GFBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000490156155 564764888 /nfs/dbraw/zinc/76/48/88/564764888.db2.gz HKRDMJQYZGRJIW-UHFFFAOYSA-N 0 3 375.878 2.791 20 5 GFBDHN C[C@@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCCOC1 ZINC000554972041 564780351 /nfs/dbraw/zinc/78/03/51/564780351.db2.gz UHNFPLSROYANEQ-CYBMUJFWSA-N 0 3 376.194 2.858 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000460889051 564783128 /nfs/dbraw/zinc/78/31/28/564783128.db2.gz IHCIGSYKFZUMQB-UHFFFAOYSA-N 0 3 377.894 2.991 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCC[C@H](O)C2)c1 ZINC000583841928 564910173 /nfs/dbraw/zinc/91/01/73/564910173.db2.gz SFTSFHWMKHKDHQ-YGRLFVJLSA-N 0 3 390.221 2.840 20 5 GFBDHN C[C@@H]1CCN(C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035083 565016285 /nfs/dbraw/zinc/01/62/85/565016285.db2.gz HCHCUXRBAQPXAU-LLVKDONJSA-N 0 3 389.237 2.725 20 5 GFBDHN CC(C)N(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)O ZINC000562033614 565016642 /nfs/dbraw/zinc/01/66/42/565016642.db2.gz DEFKHTUXBRLFFY-JTQLQIEISA-N 0 3 378.210 2.791 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCc3c[nH]nc3C2)c1 ZINC000589314808 565161835 /nfs/dbraw/zinc/16/18/35/565161835.db2.gz YOYVDVWIQNMHCB-GFCCVEGCSA-N 0 3 398.204 2.570 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCCN3)o2)c(Br)c1 ZINC000600775235 565749768 /nfs/dbraw/zinc/74/97/68/565749768.db2.gz MHWNCDRMJDLDCX-LLVKDONJSA-N 0 3 396.241 2.695 20 5 GFBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376932 565779430 /nfs/dbraw/zinc/77/94/30/565779430.db2.gz WPZYBHJJXDOYTG-OCCSQVGLSA-N 0 3 385.511 2.602 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290618 565836982 /nfs/dbraw/zinc/83/69/82/565836982.db2.gz IFLFNCWPWMYAQR-DGCLKSJQSA-N 0 3 382.258 2.914 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1ccc(Br)cc1 ZINC000610782884 566099366 /nfs/dbraw/zinc/09/93/66/566099366.db2.gz ODTIVWJNTJCVSH-UHFFFAOYSA-N 0 3 383.246 2.873 20 5 GFBDHN Cc1c(Br)c(N2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000612439355 566162141 /nfs/dbraw/zinc/16/21/41/566162141.db2.gz YPAMKWTWNCZWOZ-UHFFFAOYSA-N 0 3 378.230 2.782 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870097 /nfs/dbraw/zinc/87/00/97/598870097.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870098 /nfs/dbraw/zinc/87/00/98/598870098.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870099 /nfs/dbraw/zinc/87/00/99/598870099.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870100 /nfs/dbraw/zinc/87/01/00/598870100.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[NH+](C)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000736755653 599272620 /nfs/dbraw/zinc/27/26/20/599272620.db2.gz CHTKQHZCFSFKRL-UHFFFAOYSA-N 0 3 382.428 2.609 20 5 GFBDHN C[NH+](C)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000736755653 599272622 /nfs/dbraw/zinc/27/26/22/599272622.db2.gz CHTKQHZCFSFKRL-UHFFFAOYSA-N 0 3 382.428 2.609 20 5 GFBDHN O=[N+]([O-])c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634786 606644698 /nfs/dbraw/zinc/64/46/98/606644698.db2.gz MAGZNLCZWPYHBD-UHFFFAOYSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634786 606644699 /nfs/dbraw/zinc/64/46/99/606644699.db2.gz MAGZNLCZWPYHBD-UHFFFAOYSA-N 0 3 379.424 2.851 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668771 606875282 /nfs/dbraw/zinc/87/52/82/606875282.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668771 606875283 /nfs/dbraw/zinc/87/52/83/606875283.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668771 606875284 /nfs/dbraw/zinc/87/52/84/606875284.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668771 606875285 /nfs/dbraw/zinc/87/52/85/606875285.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 0 3 379.424 2.850 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820226338 607085413 /nfs/dbraw/zinc/08/54/13/607085413.db2.gz UXUNWSASSRESTD-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820226338 607085415 /nfs/dbraw/zinc/08/54/15/607085415.db2.gz UXUNWSASSRESTD-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824584831 608468557 /nfs/dbraw/zinc/46/85/57/608468557.db2.gz IDIWQJOOVYHFON-SNVBAGLBSA-N 0 3 387.425 2.516 20 5 GFBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000834310005 660813327 /nfs/dbraw/zinc/81/33/27/660813327.db2.gz AZMWHTMXYRRISE-PELKAZGASA-N 0 3 388.649 2.787 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000124937820 654783998 /nfs/dbraw/zinc/78/39/98/654783998.db2.gz KQPQDKRUSDXKQO-JSGCOSHPSA-N 0 3 387.889 2.661 20 5 GFBDHN CC(C)CS(=O)(=O)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271987620 655100248 /nfs/dbraw/zinc/10/02/48/655100248.db2.gz LBXPYMBMLPLEOQ-UHFFFAOYSA-N 0 3 389.905 2.788 20 5 GFBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027583 655456471 /nfs/dbraw/zinc/45/64/71/655456471.db2.gz RELFOPLCQNIINM-WDEREUQCSA-N 0 3 389.237 2.724 20 5 GFBDHN CC(C)N1CCN([C@@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596157741 655514282 /nfs/dbraw/zinc/51/42/82/655514282.db2.gz DJEKBEXIUACEMK-CQSZACIVSA-N 0 3 397.317 2.962 20 5 GFBDHN CC(C)N1CCN([C@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596157740 655514311 /nfs/dbraw/zinc/51/43/11/655514311.db2.gz DJEKBEXIUACEMK-AWEZNQCLSA-N 0 3 397.317 2.962 20 5 GFBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817471 659941588 /nfs/dbraw/zinc/94/15/88/659941588.db2.gz CBNWVCWJMQGWTB-SNVBAGLBSA-N 0 3 396.296 2.864 20 5 GFBDHN CCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821758 661834954 /nfs/dbraw/zinc/83/49/54/661834954.db2.gz ZGEFZJSQNSYZSG-VIFPVBQESA-N 0 3 382.269 2.664 20 5 GFBDHN CCC[N@H+]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821758 661834955 /nfs/dbraw/zinc/83/49/55/661834955.db2.gz ZGEFZJSQNSYZSG-VIFPVBQESA-N 0 3 382.269 2.664 20 5 GFBDHN CCCN1CC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821758 661834958 /nfs/dbraw/zinc/83/49/58/661834958.db2.gz ZGEFZJSQNSYZSG-VIFPVBQESA-N 0 3 382.269 2.664 20 5 GFBDHN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](N2CC=CC2)C1 ZINC000889726083 663261048 /nfs/dbraw/zinc/26/10/48/663261048.db2.gz NQQPAJGRTMKJIW-CQSZACIVSA-N 0 3 395.257 2.513 20 5 GFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721783 720374928 /nfs/dbraw/zinc/37/49/28/720374928.db2.gz BAPLPAKWXOVEEU-OALUTQOASA-N 0 3 376.420 2.786 20 5 GFBDHN CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728766 720432253 /nfs/dbraw/zinc/43/22/53/720432253.db2.gz GIMLQFSXXCBNJF-CVLYKSAASA-N 0 3 394.479 2.770 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCCc3sccc32)cc1 ZINC000161967850 551601375 /nfs/dbraw/zinc/60/13/75/551601375.db2.gz WETZIZSEPQSUTE-OAHLLOKOSA-N 0 3 381.479 2.602 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000247814123 553126080 /nfs/dbraw/zinc/12/60/80/553126080.db2.gz BMLDONHJRNSGBJ-UHFFFAOYSA-N 0 3 375.878 2.711 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000252671482 553150444 /nfs/dbraw/zinc/15/04/44/553150444.db2.gz VXFWDBWZQDGUPD-NHYWBVRUSA-N 0 3 382.258 2.914 20 5 GFBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369722625 563222930 /nfs/dbraw/zinc/22/29/30/563222930.db2.gz SMRRJBGHIVNZEZ-UHFFFAOYSA-N 0 3 387.889 2.745 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCN1C ZINC000421001882 563293545 /nfs/dbraw/zinc/29/35/45/563293545.db2.gz QCMXSXIZDUJNCD-CYBMUJFWSA-N 0 3 389.237 2.725 20 5 GFBDHN CN1CCC[C@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649775 563409793 /nfs/dbraw/zinc/40/97/93/563409793.db2.gz FRZCTYHBJDBYOH-AWEZNQCLSA-N 0 3 383.290 2.574 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCSC1 ZINC000437359864 563694736 /nfs/dbraw/zinc/69/47/36/563694736.db2.gz QKQFSZVDRDZLJT-CQSZACIVSA-N 0 3 377.388 2.781 20 5 GFBDHN O=[N+]([O-])c1cccc(CNc2cc(N3CCOCC3)c(Br)cn2)c1 ZINC000449766396 564201047 /nfs/dbraw/zinc/20/10/47/564201047.db2.gz NITFMKUGGNKLDR-UHFFFAOYSA-N 0 3 393.241 2.623 20 5 GFBDHN CSc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000565711429 564292933 /nfs/dbraw/zinc/29/29/33/564292933.db2.gz CCPVLOMQFPGVJZ-UHFFFAOYSA-N 0 3 380.491 2.923 20 5 GFBDHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177946 564394986 /nfs/dbraw/zinc/39/49/86/564394986.db2.gz HLGOOTJDYHHRCH-MFKMUULPSA-N 0 3 378.479 2.998 20 5 GFBDHN CC(C)(C)[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804067 564611118 /nfs/dbraw/zinc/61/11/18/564611118.db2.gz PDQLUPHDMLCNEJ-GFCCVEGCSA-N 0 3 378.210 2.696 20 5 GFBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092074 564646255 /nfs/dbraw/zinc/64/62/55/564646255.db2.gz NITFJMQPRJMBEB-AWEZNQCLSA-N 0 3 384.274 2.841 20 5 GFBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000577303238 564733952 /nfs/dbraw/zinc/73/39/52/564733952.db2.gz LLJICJQOAYLBJT-VCTAVGKDSA-N 0 3 386.905 2.553 20 5 GFBDHN Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000503590903 565024098 /nfs/dbraw/zinc/02/40/98/565024098.db2.gz CPHUKTOLDCCFCJ-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN C[C@@H]1CCN(CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315434 565160947 /nfs/dbraw/zinc/16/09/47/565160947.db2.gz OBURFSJSJHZBSD-LLVKDONJSA-N 0 3 389.237 2.631 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCNC(=O)c1ccc(Br)cn1 ZINC000594957812 565438083 /nfs/dbraw/zinc/43/80/83/565438083.db2.gz UYCULQYSUBWNQL-UHFFFAOYSA-N 0 3 393.241 2.580 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410390 565475180 /nfs/dbraw/zinc/47/51/80/565475180.db2.gz LCHYIIOLTVFFQJ-ZDUSSCGKSA-N 0 3 387.889 2.649 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410390 565475184 /nfs/dbraw/zinc/47/51/84/565475184.db2.gz LCHYIIOLTVFFQJ-ZDUSSCGKSA-N 0 3 387.889 2.649 20 5 GFBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376930 565778980 /nfs/dbraw/zinc/77/89/80/565778980.db2.gz WPZYBHJJXDOYTG-GXTWGEPZSA-N 0 3 385.511 2.602 20 5 GFBDHN COC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602705433 565864232 /nfs/dbraw/zinc/86/42/32/565864232.db2.gz FUYRPLAPGWBHBV-GFCCVEGCSA-N 0 3 379.276 2.950 20 5 GFBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000610572913 566089084 /nfs/dbraw/zinc/08/90/84/566089084.db2.gz XNOQKPHPCWNFKL-UHFFFAOYSA-N 0 3 391.225 2.715 20 5 GFBDHN O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651993 599317632 /nfs/dbraw/zinc/31/76/32/599317632.db2.gz VGWNZPWCYQFQND-UHFFFAOYSA-N 0 3 394.439 2.768 20 5 GFBDHN O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651993 599317635 /nfs/dbraw/zinc/31/76/35/599317635.db2.gz VGWNZPWCYQFQND-UHFFFAOYSA-N 0 3 394.439 2.768 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000108416573 655132289 /nfs/dbraw/zinc/13/22/89/655132289.db2.gz VDTNOHZVOJQBLF-LBPRGKRZSA-N 0 3 375.878 2.649 20 5 GFBDHN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000577027580 655456455 /nfs/dbraw/zinc/45/64/55/655456455.db2.gz RELFOPLCQNIINM-MNOVXSKESA-N 0 3 389.237 2.724 20 5 GFBDHN CC([C@H](OC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1F)[N+](=O)[O-] ZINC000845873172 661502456 /nfs/dbraw/zinc/50/24/56/661502456.db2.gz BQPCTDHHOWNVIB-OTYXRUKQSA-N 0 3 387.410 2.854 20 5 GFBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812923 662579594 /nfs/dbraw/zinc/57/95/94/662579594.db2.gz OAMZNBYNZVCNSW-BXKDBHETSA-N 0 3 394.280 2.616 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874827153 662837655 /nfs/dbraw/zinc/83/76/55/662837655.db2.gz CAGRGZFEVJHSJZ-LSDHHAIUSA-N 0 3 382.258 2.974 20 5 GFBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876377 663623406 /nfs/dbraw/zinc/62/34/06/663623406.db2.gz LDTAYSCJINLKKJ-SECBINFHSA-N 0 3 394.230 2.617 20 5 GFBDHN Cc1c(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251826 664789273 /nfs/dbraw/zinc/78/92/73/664789273.db2.gz BOWOSHBOUNXWSM-YGRLFVJLSA-N 0 3 383.246 2.834 20 5 GFBDHN O=[N+]([O-])c1cc(CN2CCN(CCCCCO)CC2)ccc1Br ZINC000931496936 664796517 /nfs/dbraw/zinc/79/65/17/664796517.db2.gz YKPJVIALXGMMIK-UHFFFAOYSA-N 0 3 386.290 2.638 20 5 GFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729051 720372169 /nfs/dbraw/zinc/37/21/69/720372169.db2.gz UWIUFSADPWETHU-OALUTQOASA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729049 720372923 /nfs/dbraw/zinc/37/29/23/720372923.db2.gz UWIUFSADPWETHU-MOPGFXCFSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c21 ZINC001164726197 720471957 /nfs/dbraw/zinc/47/19/57/720471957.db2.gz KQBFAENIGMBVGN-SJORKVTESA-N 0 3 376.420 2.786 20 5 GFBDHN c1cnc2c(c1)ccc1ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742362 720653441 /nfs/dbraw/zinc/65/34/41/720653441.db2.gz MZZCZBPOSMLTFY-RTBURBONSA-N 0 3 398.470 2.915 20 5 GFBDHN CN(C)CCn1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000501110415 532736860 /nfs/dbraw/zinc/73/68/60/532736860.db2.gz KBJOVXFBHDUVCH-UHFFFAOYSA-N 0 3 397.233 2.759 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426573 552496014 /nfs/dbraw/zinc/49/60/14/552496014.db2.gz BINKVOJYPRBBPE-DGCLKSJQSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000299203013 563377945 /nfs/dbraw/zinc/37/79/45/563377945.db2.gz GIUFACUVQDVCLB-UHFFFAOYSA-N 0 3 387.889 2.887 20 5 GFBDHN CN1CCC[C@@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649776 563409559 /nfs/dbraw/zinc/40/95/59/563409559.db2.gz FRZCTYHBJDBYOH-CQSZACIVSA-N 0 3 383.290 2.574 20 5 GFBDHN C[C@H]1CCC[C@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301935142 563416180 /nfs/dbraw/zinc/41/61/80/563416180.db2.gz PBBJJRLJEVVNLX-NHYWBVRUSA-N 0 3 375.516 2.982 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000320280611 563446036 /nfs/dbraw/zinc/44/60/36/563446036.db2.gz NUERSXKARQJJRU-OAHLLOKOSA-N 0 3 381.226 2.887 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCSCc2ccccc2)cc1 ZINC000430774516 563549107 /nfs/dbraw/zinc/54/91/07/563549107.db2.gz CPACWGIHSLPPTF-UHFFFAOYSA-N 0 3 380.491 2.892 20 5 GFBDHN C[C@@H](O)C[C@@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640399 563681265 /nfs/dbraw/zinc/68/12/65/563681265.db2.gz XPQQILJMKUOIBK-NXEZZACHSA-N 0 3 378.210 2.696 20 5 GFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805946 563721841 /nfs/dbraw/zinc/72/18/41/563721841.db2.gz RUIYODSOSFJOLP-CABZTGNLSA-N 0 3 396.296 2.862 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000290858187 563724005 /nfs/dbraw/zinc/72/40/05/563724005.db2.gz XCYBXFSPGBMUKF-MFKMUULPSA-N 0 3 393.868 2.738 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCN2CCC[C@@H]2C1 ZINC000363517268 563725196 /nfs/dbraw/zinc/72/51/96/563725196.db2.gz ZOZXNLFHONBVRV-GHMZBOCLSA-N 0 3 375.397 2.630 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416662693 563859283 /nfs/dbraw/zinc/85/92/83/563859283.db2.gz OZEIMZRSYJBQKA-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000564400087 564231381 /nfs/dbraw/zinc/23/13/81/564231381.db2.gz PDOLKYLWZBXLKE-NSHDSACASA-N 0 3 389.237 2.725 20 5 GFBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@H]1C1CC1 ZINC000543236649 564343551 /nfs/dbraw/zinc/34/35/51/564343551.db2.gz VLKBEBOIYQULOW-HOTGVXAUSA-N 0 3 398.257 2.843 20 5 GFBDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177944 564395139 /nfs/dbraw/zinc/39/51/39/564395139.db2.gz HLGOOTJDYHHRCH-GWCFXTLKSA-N 0 3 378.479 2.998 20 5 GFBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749215 564760194 /nfs/dbraw/zinc/76/01/94/564760194.db2.gz GZKOGXRYNIBHAA-UONOGXRCSA-N 0 3 398.257 2.843 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000583841927 564909844 /nfs/dbraw/zinc/90/98/44/564909844.db2.gz SFTSFHWMKHKDHQ-QMTHXVAHSA-N 0 3 390.221 2.840 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000562036207 565016356 /nfs/dbraw/zinc/01/63/56/565016356.db2.gz GCJHNEHZUWRIAX-UHFFFAOYSA-N 0 3 390.221 2.936 20 5 GFBDHN CCN(CCNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000589311556 565161420 /nfs/dbraw/zinc/16/14/20/565161420.db2.gz LYLYITUJBFFJPP-UHFFFAOYSA-N 0 3 389.237 2.773 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599009887 565654345 /nfs/dbraw/zinc/65/43/45/565654345.db2.gz NXZZVQXVLKWJRG-JSGCOSHPSA-N 0 3 388.205 2.857 20 5 GFBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)[C@@]1(O)CCOC1 ZINC000602697962 565864100 /nfs/dbraw/zinc/86/41/00/565864100.db2.gz RIGZBZXTGDPGDT-CYBMUJFWSA-N 0 3 379.276 2.686 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000602831045 565870826 /nfs/dbraw/zinc/87/08/26/565870826.db2.gz YPZLKIJFHWOJQF-CYBMUJFWSA-N 0 3 381.230 2.976 20 5 GFBDHN CC(C)[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735882285 599258296 /nfs/dbraw/zinc/25/82/96/599258296.db2.gz OSSHIGDATNZILX-UHFFFAOYSA-N 0 3 382.428 2.608 20 5 GFBDHN CC(C)[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735882285 599258298 /nfs/dbraw/zinc/25/82/98/599258298.db2.gz OSSHIGDATNZILX-UHFFFAOYSA-N 0 3 382.428 2.608 20 5 GFBDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530585 /nfs/dbraw/zinc/53/05/85/607530585.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530586 /nfs/dbraw/zinc/53/05/86/607530586.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530587 /nfs/dbraw/zinc/53/05/87/607530587.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530588 /nfs/dbraw/zinc/53/05/88/607530588.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530727 /nfs/dbraw/zinc/53/07/27/607530727.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530730 /nfs/dbraw/zinc/53/07/30/607530730.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530732 /nfs/dbraw/zinc/53/07/32/607530732.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 0 3 382.424 2.721 20 5 GFBDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530733 /nfs/dbraw/zinc/53/07/33/607530733.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 0 3 382.424 2.721 20 5 GFBDHN O=[N+]([O-])c1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1Br ZINC000839500772 661087904 /nfs/dbraw/zinc/08/79/04/661087904.db2.gz MGHMVFCLZPHUNM-CYBMUJFWSA-N 0 3 384.274 2.511 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000116907547 655256603 /nfs/dbraw/zinc/25/66/03/655256603.db2.gz MGGUZXWSJATWSL-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247979590 655432154 /nfs/dbraw/zinc/43/21/54/655432154.db2.gz MCCPMQUZFCFCMM-JSGCOSHPSA-N 0 3 387.889 2.661 20 5 GFBDHN CN(C)c1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000578102173 655472581 /nfs/dbraw/zinc/47/25/81/655472581.db2.gz VEJRDIJZPHLKQN-UHFFFAOYSA-N 0 3 398.204 2.694 20 5 GFBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000761883469 656023542 /nfs/dbraw/zinc/02/35/42/656023542.db2.gz WNXDTQOIWHPXSN-CYBMUJFWSA-N 0 3 385.262 2.808 20 5 GFBDHN CC(C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000768806365 656252089 /nfs/dbraw/zinc/25/20/89/656252089.db2.gz ZPIZYNBQSPJCMN-CQSZACIVSA-N 0 3 375.516 2.691 20 5 GFBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817470 659941733 /nfs/dbraw/zinc/94/17/33/659941733.db2.gz CBNWVCWJMQGWTB-JTQLQIEISA-N 0 3 396.296 2.864 20 5 GFBDHN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108938 660043955 /nfs/dbraw/zinc/04/39/55/660043955.db2.gz MPYLXKYPNWQVBO-VXGBXAGGSA-N 0 3 375.468 2.559 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018718 660102129 /nfs/dbraw/zinc/10/21/29/660102129.db2.gz YZMMGZGHDNXFRE-ZWNOBZJWSA-N 0 3 393.868 2.738 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029568 660104167 /nfs/dbraw/zinc/10/41/67/660104167.db2.gz ARHZYNALIJVGPB-JTQLQIEISA-N 0 3 393.868 2.738 20 5 GFBDHN CC([C@@H](OC(=O)c1c(Br)cnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845878527 661503043 /nfs/dbraw/zinc/50/30/43/661503043.db2.gz HELRXOWOWPKQSP-AMIZOPFISA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@@H](OC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845881741 661503371 /nfs/dbraw/zinc/50/33/71/661503371.db2.gz OGXJTRMFBBKLER-LKFCYVNXSA-N 0 3 387.410 2.854 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827151 662837620 /nfs/dbraw/zinc/83/76/20/662837620.db2.gz CAGRGZFEVJHSJZ-GJZGRUSLSA-N 0 3 382.258 2.974 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882768642 663041201 /nfs/dbraw/zinc/04/12/01/663041201.db2.gz MFDQQSPAPPLGFU-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c21 ZINC001164726187 720471649 /nfs/dbraw/zinc/47/16/49/720471649.db2.gz KQBFAENIGMBVGN-DLBZAZTESA-N 0 3 376.420 2.786 20 5 GFBDHN Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125691886 551323217 /nfs/dbraw/zinc/32/32/17/551323217.db2.gz MWPKTNKUMIYTHN-TZMCWYRMSA-N 0 3 385.511 2.602 20 5 GFBDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000153026722 551445327 /nfs/dbraw/zinc/44/53/27/551445327.db2.gz GKDMHNJKGVHXCU-AAEUAGOBSA-N 0 3 384.274 2.841 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173626814 552089469 /nfs/dbraw/zinc/08/94/69/552089469.db2.gz STZGWTJSPMEJKI-CYBMUJFWSA-N 0 3 387.889 2.745 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000183726351 552318226 /nfs/dbraw/zinc/31/82/26/552318226.db2.gz GBJDXJPNYGYGFH-NWDGAFQWSA-N 0 3 375.878 2.517 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899200 553114784 /nfs/dbraw/zinc/11/47/84/553114784.db2.gz JQMLCXAPBCMVLY-NHYWBVRUSA-N 0 3 382.258 2.914 20 5 GFBDHN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295229168 563236752 /nfs/dbraw/zinc/23/67/52/563236752.db2.gz BJYJLZCGNUSSHM-LLVKDONJSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000301142607 563393683 /nfs/dbraw/zinc/39/36/83/563393683.db2.gz HANRFNYPRRXVHZ-GFCCVEGCSA-N 0 3 387.221 2.874 20 5 GFBDHN CN(C)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591371 563408243 /nfs/dbraw/zinc/40/82/43/563408243.db2.gz QUKOYYRSGWOFFE-WDEREUQCSA-N 0 3 377.413 2.876 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CNCCO3)o2)c(Br)c1 ZINC000415093125 563758575 /nfs/dbraw/zinc/75/85/75/563758575.db2.gz HNMRUPKRKIPBMK-ZDUSSCGKSA-N 0 3 396.241 2.695 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000537941807 564178412 /nfs/dbraw/zinc/17/84/12/564178412.db2.gz DMLSKVHMMQKPGZ-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN C[C@@](O)(CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000563617854 564199174 /nfs/dbraw/zinc/19/91/74/564199174.db2.gz VFLSOVWHRSRIRX-LLVKDONJSA-N 0 3 375.269 2.928 20 5 GFBDHN O=[N+]([O-])c1ccccc1CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000449765139 564200658 /nfs/dbraw/zinc/20/06/58/564200658.db2.gz GQBOXRQHUGGHKW-UHFFFAOYSA-N 0 3 393.241 2.623 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000450266602 564224802 /nfs/dbraw/zinc/22/48/02/564224802.db2.gz RVNPGKIPCFVWAH-QWHCGFSZSA-N 0 3 377.388 2.731 20 5 GFBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502645 564319900 /nfs/dbraw/zinc/31/99/00/564319900.db2.gz PIXPPPFIXJSLDY-OLZOCXBDSA-N 0 3 386.246 2.699 20 5 GFBDHN CC(C)N1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000584558613 565087975 /nfs/dbraw/zinc/08/79/75/565087975.db2.gz ZJIWLQWNPMEXSU-UHFFFAOYSA-N 0 3 389.237 2.725 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC2CCC(O)CC2)c1 ZINC000589309142 565159596 /nfs/dbraw/zinc/15/95/96/565159596.db2.gz FTLBGNRIMCIWBE-UHFFFAOYSA-N 0 3 376.194 2.593 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCc3c[nH]nc3C2)c1 ZINC000589314810 565161873 /nfs/dbraw/zinc/16/18/73/565161873.db2.gz YOYVDVWIQNMHCB-LBPRGKRZSA-N 0 3 398.204 2.570 20 5 GFBDHN CC(C)(C)[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789682 565421485 /nfs/dbraw/zinc/42/14/85/565421485.db2.gz KBVNFTNQQRKIDE-LLVKDONJSA-N 0 3 375.878 2.647 20 5 GFBDHN CC(C)(C)[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789682 565421487 /nfs/dbraw/zinc/42/14/87/565421487.db2.gz KBVNFTNQQRKIDE-LLVKDONJSA-N 0 3 375.878 2.647 20 5 GFBDHN C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(C)C ZINC000609874011 566056147 /nfs/dbraw/zinc/05/61/47/566056147.db2.gz FKEHDIVHIYVCBY-SECBINFHSA-N 0 3 386.239 2.767 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(CO)COC3)o2)c(Br)c1 ZINC000123030935 654750725 /nfs/dbraw/zinc/75/07/25/654750725.db2.gz UBKMDJGNZRQSRF-UHFFFAOYSA-N 0 3 397.225 2.716 20 5 GFBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056516020 654796522 /nfs/dbraw/zinc/79/65/22/654796522.db2.gz KWPGRPWDLPXGCU-UHFFFAOYSA-N 0 3 395.257 2.889 20 5 GFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215915 654963693 /nfs/dbraw/zinc/96/36/93/654963693.db2.gz PJOKYCNRTUZCDI-PRHODGIISA-N 0 3 386.221 2.709 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000273539163 655147186 /nfs/dbraw/zinc/14/71/86/655147186.db2.gz STTJTUSPNNDDCE-NSHDSACASA-N 0 3 375.878 2.599 20 5 GFBDHN CCNS(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000772980390 656396321 /nfs/dbraw/zinc/39/63/21/656396321.db2.gz WKHAEQIEOGPNST-LBPRGKRZSA-N 0 3 383.495 2.913 20 5 GFBDHN C[C@](CO)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284551 658909949 /nfs/dbraw/zinc/90/99/49/658909949.db2.gz LXCZSWMRTXOMTB-DLBZAZTESA-N 0 3 395.253 2.888 20 5 GFBDHN C[NH+]1CCC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809813571 659941010 /nfs/dbraw/zinc/94/10/10/659941010.db2.gz HKFCZHRVKVHZAD-UHFFFAOYSA-N 0 3 396.296 2.912 20 5 GFBDHN CCOc1cc(Br)c(CC(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813102588 660043838 /nfs/dbraw/zinc/04/38/38/660043838.db2.gz SPKFMJSJSWLARJ-JTQLQIEISA-N 0 3 390.230 2.997 20 5 GFBDHN O=[N+]([O-])c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905801 721546064 /nfs/dbraw/zinc/54/60/64/721546064.db2.gz IJYHREVXUPKYJE-GDBMZVCRSA-N 0 3 397.410 2.952 20 5 GFBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000121147122 551228325 /nfs/dbraw/zinc/22/83/25/551228325.db2.gz DTEDSZAETQBMSE-UHFFFAOYSA-N 0 3 378.226 2.877 20 5 GFBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000158614826 551554188 /nfs/dbraw/zinc/55/41/88/551554188.db2.gz RHQRTQVZTPPUMS-LBPRGKRZSA-N 0 3 387.889 2.886 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000248626523 553131970 /nfs/dbraw/zinc/13/19/70/553131970.db2.gz YZSXWJWDMCCCFF-QWHCGFSZSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CCN1C ZINC000277946417 563233624 /nfs/dbraw/zinc/23/36/24/563233624.db2.gz JGIHNSBOMOUFKN-DTWKUNHWSA-N 0 3 376.276 2.974 20 5 GFBDHN C[C@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286494847 563562452 /nfs/dbraw/zinc/56/24/52/563562452.db2.gz MCMNCEONDFIDPJ-DLBZAZTESA-N 0 3 395.253 2.888 20 5 GFBDHN C[C@@H](Cn1ccnc1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289805712 563687377 /nfs/dbraw/zinc/68/73/77/563687377.db2.gz IODAILSFMJNPEW-JTQLQIEISA-N 0 3 386.193 2.574 20 5 GFBDHN COCCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291591005 563748764 /nfs/dbraw/zinc/74/87/64/563748764.db2.gz WEILSYLSPBJFGG-UHFFFAOYSA-N 0 3 376.240 2.742 20 5 GFBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000443969619 563817100 /nfs/dbraw/zinc/81/71/00/563817100.db2.gz RMZIRYLXJYUIOB-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CSc3ccccc32)cc1 ZINC000564861100 564253743 /nfs/dbraw/zinc/25/37/43/564253743.db2.gz XERCVEUFPLYRKW-CYBMUJFWSA-N 0 3 378.475 2.848 20 5 GFBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1N(C)C ZINC000542509316 564316610 /nfs/dbraw/zinc/31/66/10/564316610.db2.gz VSFBOGGYCSWZIR-QWRGUYRKSA-N 0 3 375.292 2.543 20 5 GFBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502647 564320025 /nfs/dbraw/zinc/32/00/25/564320025.db2.gz PIXPPPFIXJSLDY-QWHCGFSZSA-N 0 3 386.246 2.699 20 5 GFBDHN CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000542768381 564325872 /nfs/dbraw/zinc/32/58/72/564325872.db2.gz CQZAKDXVKQFJKX-HZPDHXFCSA-N 0 3 381.523 2.725 20 5 GFBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000567898286 564395695 /nfs/dbraw/zinc/39/56/95/564395695.db2.gz JRMACXJLWOOYGB-UHFFFAOYSA-N 0 3 381.376 2.554 20 5 GFBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149587 564711437 /nfs/dbraw/zinc/71/14/37/564711437.db2.gz GAGXMUAYXKIRCJ-CYBMUJFWSA-N 0 3 387.267 2.644 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000554936130 564778074 /nfs/dbraw/zinc/77/80/74/564778074.db2.gz NYBVYVOBQAVOBJ-RISCZKNCSA-N 0 3 390.221 2.792 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000562907175 565047103 /nfs/dbraw/zinc/04/71/03/565047103.db2.gz BTKDGXRKJQWTAP-CHWSQXEVSA-N 0 3 376.194 2.545 20 5 GFBDHN CS[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000537925164 565064599 /nfs/dbraw/zinc/06/45/99/565064599.db2.gz MKCHNQRMBZPVMO-ZFWWWQNUSA-N 0 3 387.889 2.521 20 5 GFBDHN CC1(C)OC[C@@H]2C[C@@]21NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000598987325 565652882 /nfs/dbraw/zinc/65/28/82/565652882.db2.gz KZNBCHRGYUUCSP-IINYFYTJSA-N 0 3 388.205 2.857 20 5 GFBDHN CCN1CC[C@H]2OCCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@H]2C1 ZINC000602675404 565862631 /nfs/dbraw/zinc/86/26/31/565862631.db2.gz KNOIGONSCYMZDP-QWHCGFSZSA-N 0 3 390.303 2.714 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267829 598869718 /nfs/dbraw/zinc/86/97/18/598869718.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267829 598869720 /nfs/dbraw/zinc/86/97/20/598869720.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267829 598869721 /nfs/dbraw/zinc/86/97/21/598869721.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267829 598869723 /nfs/dbraw/zinc/86/97/23/598869723.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449866 607044202 /nfs/dbraw/zinc/04/42/02/607044202.db2.gz DEJGQALSSGCBTI-NSHDSACASA-N 0 3 384.444 2.711 20 5 GFBDHN C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449866 607044203 /nfs/dbraw/zinc/04/42/03/607044203.db2.gz DEJGQALSSGCBTI-NSHDSACASA-N 0 3 384.444 2.711 20 5 GFBDHN CC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000825139280 608551663 /nfs/dbraw/zinc/55/16/63/608551663.db2.gz DDZHXBGVEPHSIB-INIZCTEOSA-N 0 3 398.423 2.903 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000798226332 659085107 /nfs/dbraw/zinc/08/51/07/659085107.db2.gz HYPAIGRLCKUTBI-NSHDSACASA-N 0 3 393.868 2.786 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020759 660102501 /nfs/dbraw/zinc/10/25/01/660102501.db2.gz GWEFOFMLKDSIPV-NSHDSACASA-N 0 3 393.868 2.882 20 5 GFBDHN C[C@@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035616 660105353 /nfs/dbraw/zinc/10/53/53/660105353.db2.gz NPWYUPRJILRXHG-JTQLQIEISA-N 0 3 379.841 2.540 20 5 GFBDHN CC([C@H](OC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877425 661502995 /nfs/dbraw/zinc/50/29/95/661502995.db2.gz PRLNXOAACUCYNU-OTYXRUKQSA-N 0 3 387.410 2.854 20 5 GFBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000899154576 663678101 /nfs/dbraw/zinc/67/81/01/663678101.db2.gz VWYPKYOVLQFQFM-QMMMGPOBSA-N 0 3 394.230 2.616 20 5 GFBDHN O=C(OCc1c(Br)cccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000909510020 664161687 /nfs/dbraw/zinc/16/16/87/664161687.db2.gz ZKCCMFDBNDZCRB-LLVKDONJSA-N 0 3 397.225 2.802 20 5 GFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164722153 720343646 /nfs/dbraw/zinc/34/36/46/720343646.db2.gz FGXNCFKWYLONHQ-OALUTQOASA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164722158 720344140 /nfs/dbraw/zinc/34/41/40/720344140.db2.gz FGXNCFKWYLONHQ-RTBURBONSA-N 0 3 376.420 2.786 20 5 GFBDHN CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728769 720431491 /nfs/dbraw/zinc/43/14/91/720431491.db2.gz GIMLQFSXXCBNJF-OELZETHLSA-N 0 3 394.479 2.770 20 5 GFBDHN C[C@H](Cn1ccnc1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289805719 563687308 /nfs/dbraw/zinc/68/73/08/563687308.db2.gz IODAILSFMJNPEW-SNVBAGLBSA-N 0 3 386.193 2.574 20 5 GFBDHN COC(=O)CC1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000152535371 551434625 /nfs/dbraw/zinc/43/46/25/551434625.db2.gz UMDDLJPOQHROJB-UHFFFAOYSA-N 0 3 387.230 2.559 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263265 552081388 /nfs/dbraw/zinc/08/13/88/552081388.db2.gz MCMJQCIIGFPDAZ-DGCLKSJQSA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000174830969 552111594 /nfs/dbraw/zinc/11/15/94/552111594.db2.gz PBKKHFKZVBYXKC-UHFFFAOYSA-N 0 3 395.257 2.849 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000246185112 553103713 /nfs/dbraw/zinc/10/37/13/553103713.db2.gz COBJBFIJPIUEHK-GXTWGEPZSA-N 0 3 382.258 2.914 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508466 553109585 /nfs/dbraw/zinc/10/95/85/553109585.db2.gz YBNYBUMOSVYPBE-FZMZJTMJSA-N 0 3 375.878 2.599 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnc2c(c1)CNCC2 ZINC000362633193 563707949 /nfs/dbraw/zinc/70/79/49/563707949.db2.gz DXDWBQMCGMXJBL-UHFFFAOYSA-N 0 3 391.225 2.579 20 5 GFBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710498 563792893 /nfs/dbraw/zinc/79/28/93/563792893.db2.gz ZGGJPZVZSNVCOD-UFBFGSQYSA-N 0 3 387.234 2.592 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416667602 563859986 /nfs/dbraw/zinc/85/99/86/563859986.db2.gz YMLJXTMZMQTUCF-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN C[C@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000564416871 564233222 /nfs/dbraw/zinc/23/32/22/564233222.db2.gz IXEMAVBKDPAYOC-CYBMUJFWSA-N 0 3 376.194 2.716 20 5 GFBDHN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472408 564334836 /nfs/dbraw/zinc/33/48/36/564334836.db2.gz FXBRKLRHRHALMW-CYBMUJFWSA-N 0 3 382.258 2.974 20 5 GFBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000451842980 564358543 /nfs/dbraw/zinc/35/85/43/564358543.db2.gz NFUPOPACZZLSJD-LBPRGKRZSA-N 0 3 399.289 2.712 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC[C@@H]2CCO)c1 ZINC000571927355 564572631 /nfs/dbraw/zinc/57/26/31/564572631.db2.gz ABUYMSKBXCRYOR-BXUZGUMPSA-N 0 3 390.221 2.840 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Br)s2)c1 ZINC000553199936 564712028 /nfs/dbraw/zinc/71/20/28/564712028.db2.gz ZKDLSIGOSVGOOK-NSHDSACASA-N 0 3 387.255 2.948 20 5 GFBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139872 564822782 /nfs/dbraw/zinc/82/27/82/564822782.db2.gz OULZYNCIRCRTAM-JTQLQIEISA-N 0 3 396.296 2.864 20 5 GFBDHN CO[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000559335291 564930710 /nfs/dbraw/zinc/93/07/10/564930710.db2.gz SBGHUJSARKBRFM-CYBMUJFWSA-N 0 3 376.194 2.714 20 5 GFBDHN C[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000595056524 565445692 /nfs/dbraw/zinc/44/56/92/565445692.db2.gz KUWMCWNWRUXTIH-LLVKDONJSA-N 0 3 393.241 2.833 20 5 GFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716731 565571988 /nfs/dbraw/zinc/57/19/88/565571988.db2.gz SVNYRFOYYGNJSJ-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000601968818 565810833 /nfs/dbraw/zinc/81/08/33/565810833.db2.gz NPJFOHSMRRXNLN-NSHDSACASA-N 0 3 378.738 2.614 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358696 598675077 /nfs/dbraw/zinc/67/50/77/598675077.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358696 598675080 /nfs/dbraw/zinc/67/50/80/598675080.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358696 598675081 /nfs/dbraw/zinc/67/50/81/598675081.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358696 598675084 /nfs/dbraw/zinc/67/50/84/598675084.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705982 599473656 /nfs/dbraw/zinc/47/36/56/599473656.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705982 599473657 /nfs/dbraw/zinc/47/36/57/599473657.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705982 599473658 /nfs/dbraw/zinc/47/36/58/599473658.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705982 599473659 /nfs/dbraw/zinc/47/36/59/599473659.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824779098 607679442 /nfs/dbraw/zinc/67/94/42/607679442.db2.gz SJZKLNNOTMXSOU-CYBMUJFWSA-N 0 3 394.439 2.807 20 5 GFBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618898 606045250 /nfs/dbraw/zinc/04/52/50/606045250.db2.gz ADYPIVHLSOPGFG-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618898 606045252 /nfs/dbraw/zinc/04/52/52/606045252.db2.gz ADYPIVHLSOPGFG-KRWDZBQOSA-N 0 3 393.451 2.876 20 5 GFBDHN COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nnn[n-]1 ZINC000826201916 608286495 /nfs/dbraw/zinc/28/64/95/608286495.db2.gz IEKIEDMFYMSJNV-KRWDZBQOSA-N 0 3 394.435 2.894 20 5 GFBDHN COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[n-]n1 ZINC000826201916 608286497 /nfs/dbraw/zinc/28/64/97/608286497.db2.gz IEKIEDMFYMSJNV-KRWDZBQOSA-N 0 3 394.435 2.894 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707946 655124222 /nfs/dbraw/zinc/12/42/22/655124222.db2.gz IKWIABFZYUTVHY-AWEZNQCLSA-N 0 3 387.889 2.887 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN(C2CCOCC2)CC1 ZINC000769468845 656277275 /nfs/dbraw/zinc/27/72/75/656277275.db2.gz PHIRRGRZNCWNSP-UHFFFAOYSA-N 0 3 384.274 2.654 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864431 658863269 /nfs/dbraw/zinc/86/32/69/658863269.db2.gz CWZPPHBMYIASPH-NSHDSACASA-N 0 3 393.868 2.882 20 5 GFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H](C)C1 ZINC000798160508 659077060 /nfs/dbraw/zinc/07/70/60/659077060.db2.gz KWHPOCMQEWPYOJ-MNOVXSKESA-N 0 3 385.262 2.603 20 5 GFBDHN Cc1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1Br ZINC000804531361 659654640 /nfs/dbraw/zinc/65/46/40/659654640.db2.gz XWVTUZUXULRQDH-UHFFFAOYSA-N 0 3 384.274 2.967 20 5 GFBDHN CN(C)CCn1nnnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809955961 659953219 /nfs/dbraw/zinc/95/32/19/659953219.db2.gz YGUQRHUDXRUIMB-UHFFFAOYSA-N 0 3 377.257 2.742 20 5 GFBDHN CC(COC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[N+](=O)[O-] ZINC000813107199 660043929 /nfs/dbraw/zinc/04/39/29/660043929.db2.gz MMKHEPLETRFQED-SECBINFHSA-N 0 3 395.213 2.729 20 5 GFBDHN C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000814996339 660100585 /nfs/dbraw/zinc/10/05/85/660100585.db2.gz XCXFNXIAWDCDKH-SNVBAGLBSA-N 0 3 379.841 2.540 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018716 660102096 /nfs/dbraw/zinc/10/20/96/660102096.db2.gz YZMMGZGHDNXFRE-GXFFZTMASA-N 0 3 393.868 2.738 20 5 GFBDHN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033522 660104776 /nfs/dbraw/zinc/10/47/76/660104776.db2.gz JWINBJYGPXEDHT-SNVBAGLBSA-N 0 3 379.841 2.538 20 5 GFBDHN CN1C[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000816952259 660174291 /nfs/dbraw/zinc/17/42/91/660174291.db2.gz GNWNJZNQIZADNZ-QPUJVOFHSA-N 0 3 388.649 2.787 20 5 GFBDHN CC([C@H](OC(=O)c1c(Br)cnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845878531 661502856 /nfs/dbraw/zinc/50/28/56/661502856.db2.gz HELRXOWOWPKQSP-OQPBUACISA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@H](OC(=O)c1c(Br)cnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845878533 661503060 /nfs/dbraw/zinc/50/30/60/661503060.db2.gz HELRXOWOWPKQSP-SDBXPKJASA-N 0 3 386.177 2.885 20 5 GFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H](CCO)c3ccccc3Br)C2)c1 ZINC000877190888 662872169 /nfs/dbraw/zinc/87/21/69/662872169.db2.gz CVFXWTAZQPEDOO-PPUFBPAQSA-N 0 3 395.257 2.971 20 5 GFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H](CO)c3ccc(Br)c(F)c3)C2)c1 ZINC000877545969 662878662 /nfs/dbraw/zinc/87/86/62/662878662.db2.gz NHGSXMVSXTUZEU-NWHVRFAMSA-N 0 3 399.220 2.720 20 5 GFBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000882768104 663041022 /nfs/dbraw/zinc/04/10/22/663041022.db2.gz PZGWZLIAELLEOI-UHFFFAOYSA-N 0 3 391.852 2.636 20 5 GFBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991682 663536248 /nfs/dbraw/zinc/53/62/48/663536248.db2.gz YRLOKBBKJHYVRE-DTWKUNHWSA-N 0 3 392.214 2.634 20 5 GFBDHN COc1ccc(CN[C@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898726118 663661623 /nfs/dbraw/zinc/66/16/23/663661623.db2.gz YKWGKGRSHYTYJS-NSHDSACASA-N 0 3 381.230 2.667 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCOc2ccc(Br)cc21 ZINC000932205757 664813414 /nfs/dbraw/zinc/81/34/14/664813414.db2.gz HQTFVACJYQLSCJ-AWEZNQCLSA-N 0 3 394.225 2.632 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871462 721075801 /nfs/dbraw/zinc/07/58/01/721075801.db2.gz YYSXCMJTKVCCFO-CVEARBPZSA-N 0 3 389.843 2.518 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766371 721109112 /nfs/dbraw/zinc/10/91/12/721109112.db2.gz KTTRFEMQVMUHEG-ZWKOTPCHSA-N 0 3 392.463 2.835 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768961 721120968 /nfs/dbraw/zinc/12/09/68/721120968.db2.gz OMJVTLHBDXJWJC-QZTJIDSGSA-N 0 3 392.463 2.835 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769090 721121708 /nfs/dbraw/zinc/12/17/08/721121708.db2.gz PMNGVOHTODHWKW-IAGOWNOFSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663307 551308249 /nfs/dbraw/zinc/30/82/49/551308249.db2.gz YJERMXOWQFFURN-GXFFZTMASA-N 0 3 382.258 2.974 20 5 GFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067846 551490764 /nfs/dbraw/zinc/49/07/64/551490764.db2.gz QEEIQUDTSWYROK-GFCCVEGCSA-N 0 3 384.274 2.700 20 5 GFBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173633570 552089884 /nfs/dbraw/zinc/08/98/84/552089884.db2.gz YQMZMPUTRSGWNC-ZDUSSCGKSA-N 0 3 387.889 2.745 20 5 GFBDHN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCN(C2CCCC2)CC1 ZINC000373824641 563352904 /nfs/dbraw/zinc/35/29/04/563352904.db2.gz GLJNHPZOSXPUNB-UHFFFAOYSA-N 0 3 397.273 2.843 20 5 GFBDHN O=C(CN1CCCC1)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302307506 563424198 /nfs/dbraw/zinc/42/41/98/563424198.db2.gz RTFRZEPQBOSGQQ-UHFFFAOYSA-N 0 3 387.267 2.646 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCSC1 ZINC000431492378 563561305 /nfs/dbraw/zinc/56/13/05/563561305.db2.gz CSVSLCUSEQTJBL-AWEZNQCLSA-N 0 3 388.287 2.524 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000290858184 563723933 /nfs/dbraw/zinc/72/39/33/563723933.db2.gz XCYBXFSPGBMUKF-GWCFXTLKSA-N 0 3 393.868 2.738 20 5 GFBDHN Cc1c(Br)c(NC[C@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000543435881 564350591 /nfs/dbraw/zinc/35/05/91/564350591.db2.gz GTIDSLZFDLHZOD-CYBMUJFWSA-N 0 3 375.292 2.910 20 5 GFBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000543504819 564353396 /nfs/dbraw/zinc/35/33/96/564353396.db2.gz RHLJTPXEUAKEQQ-WDEREUQCSA-N 0 3 386.246 2.701 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC[NH+](C2CCCC2)CC1 ZINC000484773933 564598055 /nfs/dbraw/zinc/59/80/55/564598055.db2.gz CJKQTILZNDCBKN-UHFFFAOYSA-N 0 3 387.889 2.934 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740216 564612272 /nfs/dbraw/zinc/61/22/72/564612272.db2.gz DUXCVKDHACVLCQ-LBPRGKRZSA-N 0 3 387.889 2.852 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(Br)s1 ZINC000574551368 564679177 /nfs/dbraw/zinc/67/91/77/564679177.db2.gz KUENFGMZKHWFDR-JTQLQIEISA-N 0 3 387.255 2.948 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000460889659 564783544 /nfs/dbraw/zinc/78/35/44/564783544.db2.gz OIROEKFWRMSLDG-UHFFFAOYSA-N 0 3 377.894 2.991 20 5 GFBDHN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000555665829 564801141 /nfs/dbraw/zinc/80/11/41/564801141.db2.gz AQZNUMZJYZDRMS-PHIMTYICSA-N 0 3 389.237 2.724 20 5 GFBDHN CS(=O)(=O)c1ccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000556908680 564845812 /nfs/dbraw/zinc/84/58/12/564845812.db2.gz NZQZRIUDOSLCTL-UHFFFAOYSA-N 0 3 379.463 2.873 20 5 GFBDHN CN(CCc1cccc(Br)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000463414855 564880236 /nfs/dbraw/zinc/88/02/36/564880236.db2.gz OWJJEIKZABLQAY-UHFFFAOYSA-N 0 3 380.242 2.694 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406840 564962734 /nfs/dbraw/zinc/96/27/34/564962734.db2.gz LHGYVSAMSMHCFZ-RYUDHWBXSA-N 0 3 375.516 2.611 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCC[C@@H]2O)c1 ZINC000589315053 565161595 /nfs/dbraw/zinc/16/15/95/565161595.db2.gz YFLIDVJOFXJRHF-STQMWFEESA-N 0 3 376.194 2.593 20 5 GFBDHN CC1(C)OC[C@H]2C[C@]21NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000598987327 565652892 /nfs/dbraw/zinc/65/28/92/565652892.db2.gz KZNBCHRGYUUCSP-YGRLFVJLSA-N 0 3 388.205 2.857 20 5 GFBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376931 565779768 /nfs/dbraw/zinc/77/97/68/565779768.db2.gz WPZYBHJJXDOYTG-JSGCOSHPSA-N 0 3 385.511 2.602 20 5 GFBDHN CN(C)CCOC1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602473014 565850021 /nfs/dbraw/zinc/85/00/21/565850021.db2.gz GXKSWCNMBXAFQQ-UHFFFAOYSA-N 0 3 392.319 2.961 20 5 GFBDHN COCCN1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602526526 565852406 /nfs/dbraw/zinc/85/24/06/565852406.db2.gz DDOADJZJZDULSG-UHFFFAOYSA-N 0 3 378.292 2.619 20 5 GFBDHN O=C1CCCCN1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545129 565854299 /nfs/dbraw/zinc/85/42/99/565854299.db2.gz TVNMDUYLWVSYOG-UHFFFAOYSA-N 0 3 376.276 2.911 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645168 599487478 /nfs/dbraw/zinc/48/74/78/599487478.db2.gz OXBOQTDRJUAVOP-UHFFFAOYSA-N 0 3 394.439 2.609 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645168 599487480 /nfs/dbraw/zinc/48/74/80/599487480.db2.gz OXBOQTDRJUAVOP-UHFFFAOYSA-N 0 3 394.439 2.609 20 5 GFBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821581719 606139267 /nfs/dbraw/zinc/13/92/67/606139267.db2.gz TZONKPCPLOETTA-AWEZNQCLSA-N 0 3 388.819 2.538 20 5 GFBDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826176344 608470786 /nfs/dbraw/zinc/47/07/86/608470786.db2.gz LJGLJKUJVAQELO-GFCCVEGCSA-N 0 3 384.396 2.513 20 5 GFBDHN CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825147577 608552200 /nfs/dbraw/zinc/55/22/00/608552200.db2.gz JZPHRZBLFUFAMZ-INIZCTEOSA-N 0 3 396.407 2.802 20 5 GFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215912 654963731 /nfs/dbraw/zinc/96/37/31/654963731.db2.gz PJOKYCNRTUZCDI-PELKAZGASA-N 0 3 386.221 2.709 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000107708274 655124191 /nfs/dbraw/zinc/12/41/91/655124191.db2.gz CUDYDZHZLALULA-AWEZNQCLSA-N 0 3 387.889 2.887 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176674270 655251790 /nfs/dbraw/zinc/25/17/90/655251790.db2.gz DYEWNVODPVDTGU-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000785862744 657391188 /nfs/dbraw/zinc/39/11/88/657391188.db2.gz HESRJPYOTGYWQT-OAHLLOKOSA-N 0 3 395.257 2.924 20 5 GFBDHN CN(C)Cc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000790037097 657915879 /nfs/dbraw/zinc/91/58/79/657915879.db2.gz MGUHIKKXHRYXOA-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834881 659947184 /nfs/dbraw/zinc/94/71/84/659947184.db2.gz DUVJDPXCFFNQFU-UHFFFAOYSA-N 0 3 393.868 2.884 20 5 GFBDHN CC(C)C[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810138243 659964350 /nfs/dbraw/zinc/96/43/50/659964350.db2.gz NBXMSRJSYJUNPA-CYBMUJFWSA-N 0 3 378.210 2.696 20 5 GFBDHN CCOc1cc(Br)c(CC(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813102589 660043968 /nfs/dbraw/zinc/04/39/68/660043968.db2.gz SPKFMJSJSWLARJ-SNVBAGLBSA-N 0 3 390.230 2.997 20 5 GFBDHN CC(COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[N+](=O)[O-] ZINC000813109135 660043991 /nfs/dbraw/zinc/04/39/91/660043991.db2.gz GBSKTWZSDAEDPS-SSDOTTSWSA-N 0 3 389.151 2.909 20 5 GFBDHN CC(COC(=O)c1ccc2cc(I)ccc2n1)[N+](=O)[O-] ZINC000813109162 660044352 /nfs/dbraw/zinc/04/43/52/660044352.db2.gz OQZLUSRDNKWGEK-QMMMGPOBSA-N 0 3 386.145 2.661 20 5 GFBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000813114220 660044663 /nfs/dbraw/zinc/04/46/63/660044663.db2.gz NVVKGAXABRCNIU-NOZJJQNGSA-N 0 3 375.208 2.806 20 5 GFBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309052 662541051 /nfs/dbraw/zinc/54/10/51/662541051.db2.gz PZNWAIRIMJZNGJ-WCBMZHEXSA-N 0 3 382.269 2.615 20 5 GFBDHN CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000868696939 662615127 /nfs/dbraw/zinc/61/51/27/662615127.db2.gz AJZNPBSUOVQMEF-UHFFFAOYSA-N 0 3 384.274 2.843 20 5 GFBDHN O=C(OCc1ccc(Br)cc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924055034 664645674 /nfs/dbraw/zinc/64/56/74/664645674.db2.gz WELKWGRKZHBGCP-CYBMUJFWSA-N 0 3 397.225 2.802 20 5 GFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572626 664829116 /nfs/dbraw/zinc/82/91/16/664829116.db2.gz QAZXPIHOEBNOTO-KCJUWKMLSA-N 0 3 377.203 2.949 20 5 GFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000934320406 664898552 /nfs/dbraw/zinc/89/85/52/664898552.db2.gz VJECSQWGVKPVEC-NEPJUHHUSA-N 0 3 397.273 2.638 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688042 551322956 /nfs/dbraw/zinc/32/29/56/551322956.db2.gz MPOWZXYKCLQBCT-ZDUSSCGKSA-N 0 3 375.516 2.611 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688042 551322957 /nfs/dbraw/zinc/32/29/57/551322957.db2.gz MPOWZXYKCLQBCT-ZDUSSCGKSA-N 0 3 375.516 2.611 20 5 GFBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](N2CC=CC2)C1 ZINC000155117542 551491956 /nfs/dbraw/zinc/49/19/56/551491956.db2.gz UENOVDBZVOLMFR-LBPRGKRZSA-N 0 3 381.230 2.835 20 5 GFBDHN CN(CCCCC(F)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971730 563292470 /nfs/dbraw/zinc/29/24/70/563292470.db2.gz JEZREXCAJGRDFG-UHFFFAOYSA-N 0 3 383.392 2.538 20 5 GFBDHN CN1CCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000285471066 563522255 /nfs/dbraw/zinc/52/22/55/563522255.db2.gz QGIYUSVLSWNKDP-UHFFFAOYSA-N 0 3 397.273 2.519 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000285703507 563533255 /nfs/dbraw/zinc/53/32/55/563533255.db2.gz SPGYNAKPLSWTRS-FUNVUKJBSA-N 0 3 387.889 2.802 20 5 GFBDHN CN(C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cc1Br ZINC000433410716 563612490 /nfs/dbraw/zinc/61/24/90/563612490.db2.gz CCTIUQUEWKTUCP-UHFFFAOYSA-N 0 3 380.246 2.716 20 5 GFBDHN C[C@@H](O)C[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640410 563681378 /nfs/dbraw/zinc/68/13/78/563681378.db2.gz XPQQILJMKUOIBK-VHSXEESVSA-N 0 3 378.210 2.696 20 5 GFBDHN CS(=O)(=O)N1CCC(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290979070 563728344 /nfs/dbraw/zinc/72/83/44/563728344.db2.gz YIJYNUAUPDKSPA-UHFFFAOYSA-N 0 3 396.296 2.663 20 5 GFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000367202207 563835316 /nfs/dbraw/zinc/83/53/16/563835316.db2.gz YNHZKWKHOAQSHF-HNNXBMFYSA-N 0 3 397.317 2.962 20 5 GFBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502643 564320145 /nfs/dbraw/zinc/32/01/45/564320145.db2.gz PIXPPPFIXJSLDY-CHWSQXEVSA-N 0 3 386.246 2.699 20 5 GFBDHN CN1CC[C@@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395628 564552305 /nfs/dbraw/zinc/55/23/05/564552305.db2.gz BMISMYFUIPDHGP-OAHLLOKOSA-N 0 3 383.246 2.917 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462568088 564848031 /nfs/dbraw/zinc/84/80/31/564848031.db2.gz XRPDUWRSFQSREN-AWEZNQCLSA-N 0 3 387.889 2.791 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462568088 564848035 /nfs/dbraw/zinc/84/80/35/564848035.db2.gz XRPDUWRSFQSREN-AWEZNQCLSA-N 0 3 387.889 2.791 20 5 GFBDHN C[C@H](CC(N)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498349998 564897103 /nfs/dbraw/zinc/89/71/03/564897103.db2.gz NYFAMFJQWVJEJB-SECBINFHSA-N 0 3 382.214 2.971 20 5 GFBDHN CO[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000558485516 564903318 /nfs/dbraw/zinc/90/33/18/564903318.db2.gz CSAYAFFFDQNIOI-CYBMUJFWSA-N 0 3 378.210 2.960 20 5 GFBDHN O=[N+]([O-])c1ccccc1CNCCCNS(=O)(=O)c1ccccc1Cl ZINC000466379451 564938712 /nfs/dbraw/zinc/93/87/12/564938712.db2.gz CZPYXWVIOMYTFS-UHFFFAOYSA-N 0 3 383.857 2.706 20 5 GFBDHN CN1CCC[C@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845496 565241662 /nfs/dbraw/zinc/24/16/62/565241662.db2.gz TUCIJUBUPIIPGC-INIZCTEOSA-N 0 3 397.317 2.569 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793052 565421969 /nfs/dbraw/zinc/42/19/69/565421969.db2.gz TXAMVIMNLCCIMT-GFCCVEGCSA-N 0 3 389.905 2.955 20 5 GFBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(CC)C1 ZINC000598042806 565591011 /nfs/dbraw/zinc/59/10/11/565591011.db2.gz YLQNFGPXRPLLCJ-AWEZNQCLSA-N 0 3 384.274 2.843 20 5 GFBDHN CC(=O)N1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602538883 565853878 /nfs/dbraw/zinc/85/38/78/565853878.db2.gz ZTEIAKDFDAKKMZ-UHFFFAOYSA-N 0 3 376.276 2.767 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000603958700 565921188 /nfs/dbraw/zinc/92/11/88/565921188.db2.gz LGDKGJVXKJDREK-NSHDSACASA-N 0 3 375.878 2.567 20 5 GFBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1Br ZINC000093817528 655021334 /nfs/dbraw/zinc/02/13/34/655021334.db2.gz GPOXUKKCCNMWLU-CQSZACIVSA-N 0 3 384.274 2.511 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522382 655352000 /nfs/dbraw/zinc/35/20/00/655352000.db2.gz WKJXTEFRBHZQKK-GOEBONIOSA-N 0 3 382.873 2.672 20 5 GFBDHN CC(C)N1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997339 655590569 /nfs/dbraw/zinc/59/05/69/655590569.db2.gz JFJLGEADJNGZHD-NSHDSACASA-N 0 3 377.413 2.733 20 5 GFBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N(C)C ZINC000776002097 656702114 /nfs/dbraw/zinc/70/21/14/656702114.db2.gz SBZOHUCHWLUFBR-NZVBXONLSA-N 0 3 386.905 2.553 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCCN2CCCC2)c1 ZINC000798464531 659109525 /nfs/dbraw/zinc/10/95/25/659109525.db2.gz QPMMCNJCULZNFD-UHFFFAOYSA-N 0 3 375.878 2.663 20 5 GFBDHN CC(COC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)[N+](=O)[O-] ZINC000813104975 660043974 /nfs/dbraw/zinc/04/39/74/660043974.db2.gz IMIWUPWQLHNPDT-LLVKDONJSA-N 0 3 390.483 2.571 20 5 GFBDHN CC(COC(=O)CCc1nc(-c2cc(Br)cs2)no1)[N+](=O)[O-] ZINC000813112915 660044242 /nfs/dbraw/zinc/04/42/42/660044242.db2.gz WINAHLVSRMPAGJ-SSDOTTSWSA-N 0 3 390.215 2.702 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035443 660105335 /nfs/dbraw/zinc/10/53/35/660105335.db2.gz IABJGLODHGLJNA-UHFFFAOYSA-N 0 3 393.868 2.884 20 5 GFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836275 662838017 /nfs/dbraw/zinc/83/80/17/662838017.db2.gz DYOLIJLWYQLEGV-GJZGRUSLSA-N 0 3 382.258 2.595 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC1CCN(c2cnccn2)CC1 ZINC000883294784 663052463 /nfs/dbraw/zinc/05/24/63/663052463.db2.gz LEJXEPQXHQFFMC-UHFFFAOYSA-N 0 3 392.257 2.906 20 5 GFBDHN CCN1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889724922 663260774 /nfs/dbraw/zinc/26/07/74/663260774.db2.gz KFJPRZYLFGGOTJ-UHFFFAOYSA-N 0 3 385.262 2.595 20 5 GFBDHN CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000896447574 663558080 /nfs/dbraw/zinc/55/80/80/663558080.db2.gz YHTQINUPDJIMNF-ZDUSSCGKSA-N 0 3 385.262 2.593 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663089 551308263 /nfs/dbraw/zinc/30/82/63/551308263.db2.gz YJERMXOWQFFURN-GWCFXTLKSA-N 0 3 382.258 2.974 20 5 GFBDHN Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125692156 551322918 /nfs/dbraw/zinc/32/29/18/551322918.db2.gz MWPKTNKUMIYTHN-OCCSQVGLSA-N 0 3 385.511 2.602 20 5 GFBDHN CCN(CC)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000172821189 551687718 /nfs/dbraw/zinc/68/77/18/551687718.db2.gz VUXNCTATLNIANB-UHFFFAOYSA-N 0 3 387.527 2.813 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176722364 552144559 /nfs/dbraw/zinc/14/45/59/552144559.db2.gz DGHGWJWDEWYPJE-CYBMUJFWSA-N 0 3 387.889 2.663 20 5 GFBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190693 563319085 /nfs/dbraw/zinc/31/90/85/563319085.db2.gz UHBMVXSHOBUKEP-CQSZACIVSA-N 0 3 394.280 2.618 20 5 GFBDHN C[C@@H]1CCC[C@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301935140 563415906 /nfs/dbraw/zinc/41/59/06/563415906.db2.gz PBBJJRLJEVVNLX-ABAIWWIYSA-N 0 3 375.516 2.982 20 5 GFBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438329 563422419 /nfs/dbraw/zinc/42/24/19/563422419.db2.gz CXRMZHRTISSXOL-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302284492 563424560 /nfs/dbraw/zinc/42/45/60/563424560.db2.gz VJOOCKMPJXZNOQ-UHFFFAOYSA-N 0 3 386.294 2.580 20 5 GFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563121 563510933 /nfs/dbraw/zinc/51/09/33/563510933.db2.gz JURMAPWUJLTJGZ-RYUDHWBXSA-N 0 3 399.289 2.710 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000285538964 563525819 /nfs/dbraw/zinc/52/58/19/563525819.db2.gz HUPVPQXJWQMBGL-NHYWBVRUSA-N 0 3 382.258 2.832 20 5 GFBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710496 563792573 /nfs/dbraw/zinc/79/25/73/563792573.db2.gz ZGGJPZVZSNVCOD-PRHODGIISA-N 0 3 387.234 2.592 20 5 GFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H]1CCCc2sccc21 ZINC000540174369 564241014 /nfs/dbraw/zinc/24/10/14/564241014.db2.gz SAJWEVYXKOXWIU-ZDUSSCGKSA-N 0 3 381.479 2.602 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(Br)cs2)c1 ZINC000571301739 564545912 /nfs/dbraw/zinc/54/59/12/564545912.db2.gz RDRCLRXYTKPNPA-GFCCVEGCSA-N 0 3 387.255 2.948 20 5 GFBDHN CC[C@@H](O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554970728 564780312 /nfs/dbraw/zinc/78/03/12/564780312.db2.gz FTXQKBQOLYXQCF-CYBMUJFWSA-N 0 3 378.210 2.840 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1N(C)C ZINC000490860690 564783477 /nfs/dbraw/zinc/78/34/77/564783477.db2.gz SVPDPSPLVRSIQT-CHWSQXEVSA-N 0 3 377.388 2.731 20 5 GFBDHN CC(C)N(CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000504007651 565032638 /nfs/dbraw/zinc/03/26/38/565032638.db2.gz GOAZRTHHPRGVJM-UHFFFAOYSA-N 0 3 377.894 2.988 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000584834813 565100284 /nfs/dbraw/zinc/10/02/84/565100284.db2.gz YNSMZOGZOCXXRZ-CYBMUJFWSA-N 0 3 397.225 2.592 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCNc2ccccn2)c1 ZINC000589313134 565161533 /nfs/dbraw/zinc/16/15/33/565161533.db2.gz FRWGWJJJNPGPCP-UHFFFAOYSA-N 0 3 398.204 2.796 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H](CO)CC2CC2)c1 ZINC000594983923 565440103 /nfs/dbraw/zinc/44/01/03/565440103.db2.gz RGZAGYUQPQHKAN-LBPRGKRZSA-N 0 3 390.221 2.698 20 5 GFBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291708 598976133 /nfs/dbraw/zinc/97/61/33/598976133.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291708 598976135 /nfs/dbraw/zinc/97/61/35/598976135.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291708 598976137 /nfs/dbraw/zinc/97/61/37/598976137.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291708 598976139 /nfs/dbraw/zinc/97/61/39/598976139.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN CC[C@H](C[NH+]1CCCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903859 606936548 /nfs/dbraw/zinc/93/65/48/606936548.db2.gz YWOAZAVROFSQTD-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[C@H](C[NH+]1CCCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903859 606936549 /nfs/dbraw/zinc/93/65/49/606936549.db2.gz YWOAZAVROFSQTD-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542505834 650406629 /nfs/dbraw/zinc/40/66/29/650406629.db2.gz MNGJESASUJSIMR-UHFFFAOYSA-N 0 3 386.294 2.500 20 5 GFBDHN CCN(CC)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266209504 654863386 /nfs/dbraw/zinc/86/33/86/654863386.db2.gz MJEMUEQAKOKGJR-NSHDSACASA-N 0 3 377.413 2.512 20 5 GFBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707816 655124174 /nfs/dbraw/zinc/12/41/74/655124174.db2.gz SEORVQHERGNKTE-ZDUSSCGKSA-N 0 3 387.889 2.887 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000176975759 655264283 /nfs/dbraw/zinc/26/42/83/655264283.db2.gz KSBQYGOOHQBHCW-UHFFFAOYSA-N 0 3 382.829 2.597 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063015 655428891 /nfs/dbraw/zinc/42/88/91/655428891.db2.gz DKDQKBIQBWZFTF-WCQYABFASA-N 0 3 375.878 2.599 20 5 GFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC(C)CC1 ZINC000798166326 659077862 /nfs/dbraw/zinc/07/78/62/659077862.db2.gz VSBDPOAJPTZZDD-NSHDSACASA-N 0 3 385.262 2.603 20 5 GFBDHN CCN(CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000811475388 660009898 /nfs/dbraw/zinc/00/98/98/660009898.db2.gz MBISEBLVHWSAJG-UHFFFAOYSA-N 0 3 384.285 2.663 20 5 GFBDHN CC(COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813108051 660043980 /nfs/dbraw/zinc/04/39/80/660043980.db2.gz UOMWFAMFKRMOFT-HZMBPMFUSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000813111590 660044138 /nfs/dbraw/zinc/04/41/38/660044138.db2.gz VJOQXLPPACXHIJ-ZANVPECISA-N 0 3 375.208 2.806 20 5 GFBDHN O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000815290661 660119949 /nfs/dbraw/zinc/11/99/49/660119949.db2.gz MNDPTECGCQSCTQ-CVEARBPZSA-N 0 3 385.258 2.767 20 5 GFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855899946 662011934 /nfs/dbraw/zinc/01/19/34/662011934.db2.gz YIGPTXUJZKWAPQ-LLVKDONJSA-N 0 3 385.262 2.603 20 5 GFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164722156 720344759 /nfs/dbraw/zinc/34/47/59/720344759.db2.gz FGXNCFKWYLONHQ-RBUKOAKNSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c21 ZINC001164726190 720471820 /nfs/dbraw/zinc/47/18/20/720471820.db2.gz KQBFAENIGMBVGN-IAGOWNOFSA-N 0 3 376.420 2.786 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769088 721123159 /nfs/dbraw/zinc/12/31/59/721123159.db2.gz PMNGVOHTODHWKW-DLBZAZTESA-N 0 3 392.463 2.835 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769095 721123508 /nfs/dbraw/zinc/12/35/08/721123508.db2.gz PMNGVOHTODHWKW-SJORKVTESA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000359869882 206266273 /nfs/dbraw/zinc/26/62/73/206266273.db2.gz LZQLKLJYAIUDIZ-UHFFFAOYSA-N 0 3 390.465 2.588 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665504 552091089 /nfs/dbraw/zinc/09/10/89/552091089.db2.gz OPESJXSWRRTPHM-CYBMUJFWSA-N 0 3 375.878 2.743 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246183107 553103898 /nfs/dbraw/zinc/10/38/98/553103898.db2.gz NLZCDYLQYYRBJR-AAEUAGOBSA-N 0 3 375.878 2.599 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1Cl ZINC000373935359 563355552 /nfs/dbraw/zinc/35/55/52/563355552.db2.gz CYTKKADAJQSEKS-UHFFFAOYSA-N 0 3 391.852 2.636 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729792 563452021 /nfs/dbraw/zinc/45/20/21/563452021.db2.gz STWQBZUJRSBWNJ-ZANVPECISA-N 0 3 386.221 2.663 20 5 GFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000331356653 563547182 /nfs/dbraw/zinc/54/71/82/563547182.db2.gz SENCRHBRBNHWRS-VXGBXAGGSA-N 0 3 399.289 2.710 20 5 GFBDHN C[C@@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496514 563562457 /nfs/dbraw/zinc/56/24/57/563562457.db2.gz MCMNCEONDFIDPJ-IRXDYDNUSA-N 0 3 395.253 2.888 20 5 GFBDHN Cc1c(NC(=O)N[C@H]2CNCCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415648435 563789891 /nfs/dbraw/zinc/78/98/91/563789891.db2.gz BXCMEXQFJTZCFX-NSHDSACASA-N 0 3 393.188 2.784 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000537992314 564179322 /nfs/dbraw/zinc/17/93/22/564179322.db2.gz YPMVFGUSWQTPFM-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN C[C@H]1CC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622019 564460471 /nfs/dbraw/zinc/46/04/71/564460471.db2.gz ANZDOOWGKLYPEB-ZANVPECISA-N 0 3 376.194 2.857 20 5 GFBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000480380687 564470163 /nfs/dbraw/zinc/47/01/63/564470163.db2.gz ZDTZKOFWBHUNOV-AWEZNQCLSA-N 0 3 388.287 2.524 20 5 GFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264936 564679261 /nfs/dbraw/zinc/67/92/61/564679261.db2.gz JJOKWIAXAFGSOF-AWEZNQCLSA-N 0 3 399.289 2.712 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000554936128 564778245 /nfs/dbraw/zinc/77/82/45/564778245.db2.gz NYBVYVOBQAVOBJ-FZMZJTMJSA-N 0 3 390.221 2.792 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000584543632 565086702 /nfs/dbraw/zinc/08/67/02/565086702.db2.gz SLHHHULFKYLXTN-LBPRGKRZSA-N 0 3 382.258 2.974 20 5 GFBDHN COC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602705435 565863844 /nfs/dbraw/zinc/86/38/44/565863844.db2.gz FUYRPLAPGWBHBV-LBPRGKRZSA-N 0 3 379.276 2.950 20 5 GFBDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552774 /nfs/dbraw/zinc/55/27/74/607552774.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552776 /nfs/dbraw/zinc/55/27/76/607552776.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552778 /nfs/dbraw/zinc/55/27/78/607552778.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 0 3 396.451 2.967 20 5 GFBDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552779 /nfs/dbraw/zinc/55/27/79/607552779.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 0 3 396.451 2.967 20 5 GFBDHN CC[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825140506 608552051 /nfs/dbraw/zinc/55/20/51/608552051.db2.gz KFABDHBOCFPWCO-KRWDZBQOSA-N 0 3 395.423 2.844 20 5 GFBDHN CN1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)C1=O ZINC000839582926 661093789 /nfs/dbraw/zinc/09/37/89/661093789.db2.gz XOFFJCJBRBTVNE-UHFFFAOYSA-N 0 3 382.258 2.802 20 5 GFBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820650 659942725 /nfs/dbraw/zinc/94/27/25/659942725.db2.gz FHFFDENOUDXHMM-NSHDSACASA-N 0 3 393.868 2.882 20 5 GFBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309053 662541131 /nfs/dbraw/zinc/54/11/31/662541131.db2.gz PZNWAIRIMJZNGJ-WPRPVWTQSA-N 0 3 382.269 2.615 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221426 662955525 /nfs/dbraw/zinc/95/55/25/662955525.db2.gz HFAPRIMSHDHTPX-FZNQNYSPSA-N 0 3 395.257 2.502 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476045 552086197 /nfs/dbraw/zinc/08/61/97/552086197.db2.gz YMNCMCFXMZWAJZ-INIZCTEOSA-N 0 3 395.257 2.579 20 5 GFBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000176214429 552136701 /nfs/dbraw/zinc/13/67/01/552136701.db2.gz ZUPJHXXYXYKPDG-UHFFFAOYSA-N 0 3 395.257 2.849 20 5 GFBDHN C/C=C/C[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615090 564426565 /nfs/dbraw/zinc/42/65/65/564426565.db2.gz YGVFOINHMPRPKN-JDGPPOGSSA-N 0 3 376.194 2.616 20 5 GFBDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484776 563250509 /nfs/dbraw/zinc/25/05/09/563250509.db2.gz CJJCUEABFCDXDO-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1 ZINC000373940277 563356318 /nfs/dbraw/zinc/35/63/18/563356318.db2.gz USCVQUPTRMRWFL-UHFFFAOYSA-N 0 3 391.852 2.636 20 5 GFBDHN O=[N+]([O-])c1ccc(CNC2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1 ZINC000374612848 563377882 /nfs/dbraw/zinc/37/78/82/563377882.db2.gz NGODNXZLCSIPPM-UHFFFAOYSA-N 0 3 387.889 2.685 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCOc2c(Br)cccc21 ZINC000282108148 563398324 /nfs/dbraw/zinc/39/83/24/563398324.db2.gz PSZCXVQFLQXXSD-AWEZNQCLSA-N 0 3 394.225 2.632 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284668006 563485660 /nfs/dbraw/zinc/48/56/60/563485660.db2.gz GTOMUTXHOBWAKS-INIZCTEOSA-N 0 3 393.241 2.655 20 5 GFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363927012 563736980 /nfs/dbraw/zinc/73/69/80/563736980.db2.gz ZVZSDSVPVXBZLY-OAHLLOKOSA-N 0 3 397.317 2.962 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCCC[C@@H]2O)c1 ZINC000449577671 564191294 /nfs/dbraw/zinc/19/12/94/564191294.db2.gz GUTRQDVEISBWOM-RISCZKNCSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Br)c(N2CCC(OCCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000542506369 564316069 /nfs/dbraw/zinc/31/60/69/564316069.db2.gz RPYHSDDGOAJGFA-UHFFFAOYSA-N 0 3 387.278 2.608 20 5 GFBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000543504816 564353434 /nfs/dbraw/zinc/35/34/34/564353434.db2.gz RHLJTPXEUAKEQQ-QWRGUYRKSA-N 0 3 386.246 2.701 20 5 GFBDHN C[NH+](C)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000544724692 564396166 /nfs/dbraw/zinc/39/61/66/564396166.db2.gz BUAAPTKUCCUNFX-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(Br)cs2)c1 ZINC000571301740 564545775 /nfs/dbraw/zinc/54/57/75/564545775.db2.gz RDRCLRXYTKPNPA-LBPRGKRZSA-N 0 3 387.255 2.948 20 5 GFBDHN CC(C)[C@@](C)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000520665696 564610013 /nfs/dbraw/zinc/61/00/13/564610013.db2.gz ZYDXJYCAGQSIHE-CYBMUJFWSA-N 0 3 378.210 2.696 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368971 598945275 /nfs/dbraw/zinc/94/52/75/598945275.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738368971 598945277 /nfs/dbraw/zinc/94/52/77/598945277.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368971 598945279 /nfs/dbraw/zinc/94/52/79/598945279.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738368971 598945281 /nfs/dbraw/zinc/94/52/81/598945281.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 0 3 379.424 2.851 20 5 GFBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820727451 599109926 /nfs/dbraw/zinc/10/99/26/599109926.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727451 599109929 /nfs/dbraw/zinc/10/99/29/599109929.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727451 599109932 /nfs/dbraw/zinc/10/99/32/599109932.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727451 599109935 /nfs/dbraw/zinc/10/99/35/599109935.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN CCC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736481823 599258017 /nfs/dbraw/zinc/25/80/17/599258017.db2.gz ZEFXJQVAJHNYDA-UHFFFAOYSA-N 0 3 382.428 2.609 20 5 GFBDHN CCC[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736481823 599258020 /nfs/dbraw/zinc/25/80/20/599258020.db2.gz ZEFXJQVAJHNYDA-UHFFFAOYSA-N 0 3 382.428 2.609 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552528 /nfs/dbraw/zinc/55/25/28/607552528.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552530 /nfs/dbraw/zinc/55/25/30/607552530.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552532 /nfs/dbraw/zinc/55/25/32/607552532.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552534 /nfs/dbraw/zinc/55/25/34/607552534.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 0 3 382.424 2.719 20 5 GFBDHN CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825631943 608281809 /nfs/dbraw/zinc/28/18/09/608281809.db2.gz JLEITTLPTIHNCC-CYBMUJFWSA-N 0 3 398.423 2.903 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826241397 608490079 /nfs/dbraw/zinc/49/00/79/608490079.db2.gz BVYIUEGEPNTIDY-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826241397 608490080 /nfs/dbraw/zinc/49/00/80/608490080.db2.gz BVYIUEGEPNTIDY-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000124564627 654778703 /nfs/dbraw/zinc/77/87/03/654778703.db2.gz DQDPTXXNXFEBGJ-UHFFFAOYSA-N 0 3 382.829 2.597 20 5 GFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000267908111 654951490 /nfs/dbraw/zinc/95/14/90/654951490.db2.gz BYMHPGWUOFEGAR-PSASIEDQSA-N 0 3 386.221 2.851 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000104103115 655078772 /nfs/dbraw/zinc/07/87/72/655078772.db2.gz HTOJXRJZGFKUTR-UHFFFAOYSA-N 0 3 375.878 2.519 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533616 655115802 /nfs/dbraw/zinc/11/58/02/655115802.db2.gz RBJZRYWIPOYISU-NHYWBVRUSA-N 0 3 382.258 2.832 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707951 655124205 /nfs/dbraw/zinc/12/42/05/655124205.db2.gz IKWIABFZYUTVHY-CQSZACIVSA-N 0 3 387.889 2.887 20 5 GFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000177999705 655294692 /nfs/dbraw/zinc/29/46/92/655294692.db2.gz ASTOWRREKHNBEN-LBPRGKRZSA-N 0 3 383.495 2.902 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119387196 655301903 /nfs/dbraw/zinc/30/19/03/655301903.db2.gz JIYNHIUVZZKROZ-UHFFFAOYSA-N 0 3 377.894 2.991 20 5 GFBDHN C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CN1CCCC1 ZINC000731978945 655590406 /nfs/dbraw/zinc/59/04/06/655590406.db2.gz DDRPEMVPMOEJDK-NSHDSACASA-N 0 3 377.413 2.735 20 5 GFBDHN CN1CCC(NC(=S)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000782389374 657137675 /nfs/dbraw/zinc/13/76/75/657137675.db2.gz WKLYSRARSGINMW-UHFFFAOYSA-N 0 3 376.404 2.672 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000809808385 659940140 /nfs/dbraw/zinc/94/01/40/659940140.db2.gz QZNUFCQXMXBGBM-MNOVXSKESA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000809808385 659940143 /nfs/dbraw/zinc/94/01/43/659940143.db2.gz QZNUFCQXMXBGBM-MNOVXSKESA-N 0 3 393.868 2.929 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809442 659940627 /nfs/dbraw/zinc/94/06/27/659940627.db2.gz XZCAIRDUTPZTLI-NEPJUHHUSA-N 0 3 394.280 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809442 659940630 /nfs/dbraw/zinc/94/06/30/659940630.db2.gz XZCAIRDUTPZTLI-NEPJUHHUSA-N 0 3 394.280 2.807 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820033 659942596 /nfs/dbraw/zinc/94/25/96/659942596.db2.gz LESHDNDHRMZOCH-GHMZBOCLSA-N 0 3 393.868 2.881 20 5 GFBDHN CC(COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[N+](=O)[O-] ZINC000813105801 660043966 /nfs/dbraw/zinc/04/39/66/660043966.db2.gz UUCMOVNZXVPGDK-HZMBPMFUSA-N 0 3 377.224 2.575 20 5 GFBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841571275 661305238 /nfs/dbraw/zinc/30/52/38/661305238.db2.gz CLAVXWFXLOMEEP-UHFFFAOYSA-N 0 3 393.868 2.882 20 5 GFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839564 662838066 /nfs/dbraw/zinc/83/80/66/662838066.db2.gz WYYVOKJDUSIWGG-NEPJUHHUSA-N 0 3 386.221 2.805 20 5 GFBDHN C[C@](CO)(NC[C@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271966 662922127 /nfs/dbraw/zinc/92/21/27/662922127.db2.gz JQKXRZGZAMKEDD-DLBZAZTESA-N 0 3 395.253 2.888 20 5 GFBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000882768160 663041011 /nfs/dbraw/zinc/04/10/11/663041011.db2.gz SEUIKZPVKXITLM-UHFFFAOYSA-N 0 3 391.852 2.636 20 5 GFBDHN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN2CCC1CC2 ZINC000892781201 663384409 /nfs/dbraw/zinc/38/44/09/663384409.db2.gz YRCGGPIGQPBPNR-INIZCTEOSA-N 0 3 382.258 2.500 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766370 721108429 /nfs/dbraw/zinc/10/84/29/721108429.db2.gz KTTRFEMQVMUHEG-ROUUACIJSA-N 0 3 392.463 2.835 20 5 GFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000060843777 551184028 /nfs/dbraw/zinc/18/40/28/551184028.db2.gz CUTAIKJYRQYHGZ-BETUJISGSA-N 0 3 389.905 2.895 20 5 GFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000060843777 551184030 /nfs/dbraw/zinc/18/40/30/551184030.db2.gz CUTAIKJYRQYHGZ-BETUJISGSA-N 0 3 389.905 2.895 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915020 551442801 /nfs/dbraw/zinc/44/28/01/551442801.db2.gz NRCFFCGFTYQHQG-WFASDCNBSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CCN1C ZINC000277946426 563233659 /nfs/dbraw/zinc/23/36/59/563233659.db2.gz JGIHNSBOMOUFKN-RKDXNWHRSA-N 0 3 376.276 2.974 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868715 563274629 /nfs/dbraw/zinc/27/46/29/563274629.db2.gz XSCJNEFSCVERAB-NXEZZACHSA-N 0 3 388.287 2.975 20 5 GFBDHN CN(CCN(C)C1CC1)c1ccc(I)cc1[N+](=O)[O-] ZINC000302279080 563424293 /nfs/dbraw/zinc/42/42/93/563424293.db2.gz UMTTVSFIYQZATG-UHFFFAOYSA-N 0 3 375.210 2.730 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332103488 563576290 /nfs/dbraw/zinc/57/62/90/563576290.db2.gz ZAQAZGHVGLPCHJ-IUODEOHRSA-N 0 3 387.889 2.804 20 5 GFBDHN COCCNCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414887585 563753501 /nfs/dbraw/zinc/75/35/01/563753501.db2.gz QPAULRLGJWHYFP-UHFFFAOYSA-N 0 3 398.257 2.943 20 5 GFBDHN CN1CCC(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000291741381 563756398 /nfs/dbraw/zinc/75/63/98/563756398.db2.gz YRGYHVQGYJCOGC-UHFFFAOYSA-N 0 3 396.285 2.974 20 5 GFBDHN CC(C)(CN1CCCC1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452094548 564390563 /nfs/dbraw/zinc/39/05/63/564390563.db2.gz IVXKNJBVQAEJCY-UHFFFAOYSA-N 0 3 399.289 2.760 20 5 GFBDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113908 564394155 /nfs/dbraw/zinc/39/41/55/564394155.db2.gz IXSNJLYGUAQKTG-ZDUSSCGKSA-N 0 3 399.289 2.710 20 5 GFBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462140009 564822903 /nfs/dbraw/zinc/82/29/03/564822903.db2.gz ZPGWVVGJNPFEKX-SNVBAGLBSA-N 0 3 382.269 2.616 20 5 GFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467418089 564963677 /nfs/dbraw/zinc/96/36/77/564963677.db2.gz INDRWWUGXASJCW-UHFFFAOYSA-N 0 3 377.532 2.953 20 5 GFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714843 565571756 /nfs/dbraw/zinc/57/17/56/565571756.db2.gz KDMAYWQHCGDHDW-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000601968810 565810819 /nfs/dbraw/zinc/81/08/19/565810819.db2.gz NPJFOHSMRRXNLN-LLVKDONJSA-N 0 3 378.738 2.614 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196300 566032107 /nfs/dbraw/zinc/03/21/07/566032107.db2.gz LDCJXYYJGDUFSW-LBPRGKRZSA-N 0 3 375.878 2.791 20 5 GFBDHN C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196300 566032111 /nfs/dbraw/zinc/03/21/11/566032111.db2.gz LDCJXYYJGDUFSW-LBPRGKRZSA-N 0 3 375.878 2.791 20 5 GFBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737321206 598247169 /nfs/dbraw/zinc/24/71/69/598247169.db2.gz ZLRPTWSSFILLHU-MRXNPFEDSA-N 0 3 383.412 2.925 20 5 GFBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+]2CCCC2)o1 ZINC000737321206 598247171 /nfs/dbraw/zinc/24/71/71/598247171.db2.gz ZLRPTWSSFILLHU-MRXNPFEDSA-N 0 3 383.412 2.925 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358700 598675064 /nfs/dbraw/zinc/67/50/64/598675064.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358700 598675067 /nfs/dbraw/zinc/67/50/67/598675067.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358700 598675069 /nfs/dbraw/zinc/67/50/69/598675069.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358700 598675072 /nfs/dbraw/zinc/67/50/72/598675072.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271037 607114937 /nfs/dbraw/zinc/11/49/37/607114937.db2.gz JPFFYHOXXLWBIT-UHFFFAOYSA-N 0 3 381.440 2.652 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826293271 608485277 /nfs/dbraw/zinc/48/52/77/608485277.db2.gz IYHOURFNLNYXAV-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826293271 608485278 /nfs/dbraw/zinc/48/52/78/608485278.db2.gz IYHOURFNLNYXAV-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN CC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000825139281 608551653 /nfs/dbraw/zinc/55/16/53/608551653.db2.gz DDZHXBGVEPHSIB-MRXNPFEDSA-N 0 3 398.423 2.903 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826500028 608570675 /nfs/dbraw/zinc/57/06/75/608570675.db2.gz IUJXYFXZXZMKOB-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826500028 608570678 /nfs/dbraw/zinc/57/06/78/608570678.db2.gz IUJXYFXZXZMKOB-UHFFFAOYSA-N 0 3 395.423 2.650 20 5 GFBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529558 660661825 /nfs/dbraw/zinc/66/18/25/660661825.db2.gz LNDMAJDASMBWJR-SNVBAGLBSA-N 0 3 396.296 2.864 20 5 GFBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000276904065 655292469 /nfs/dbraw/zinc/29/24/69/655292469.db2.gz IHWRNTLNQNWXQS-UHFFFAOYSA-N 0 3 389.905 2.931 20 5 GFBDHN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000754487952 655868688 /nfs/dbraw/zinc/86/86/88/655868688.db2.gz FQCJBMFOPIYFCW-JTQLQIEISA-N 0 3 379.429 2.979 20 5 GFBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791418406 658093987 /nfs/dbraw/zinc/09/39/87/658093987.db2.gz OYWHPBUVWNAEOU-UHFFFAOYSA-N 0 3 384.285 2.768 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858359 658861206 /nfs/dbraw/zinc/86/12/06/658861206.db2.gz WLVGWCZIFQRKKG-QWRGUYRKSA-N 0 3 393.868 2.881 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864430 658863355 /nfs/dbraw/zinc/86/33/55/658863355.db2.gz CWZPPHBMYIASPH-LLVKDONJSA-N 0 3 393.868 2.882 20 5 GFBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809835231 659947205 /nfs/dbraw/zinc/94/72/05/659947205.db2.gz IVZVBUJTAGWTEO-VIFPVBQESA-N 0 3 384.285 2.910 20 5 GFBDHN CC([C@@H](OC(=O)c1c(Br)cnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845878530 661503003 /nfs/dbraw/zinc/50/30/03/661503003.db2.gz HELRXOWOWPKQSP-ISVAXAHUSA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@H](OC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845881742 661503340 /nfs/dbraw/zinc/50/33/40/661503340.db2.gz OGXJTRMFBBKLER-OTYXRUKQSA-N 0 3 387.410 2.854 20 5 GFBDHN CCC[N@@H+]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835016 /nfs/dbraw/zinc/83/50/16/661835016.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N 0 3 382.269 2.664 20 5 GFBDHN CCC[N@H+]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835018 /nfs/dbraw/zinc/83/50/18/661835018.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N 0 3 382.269 2.664 20 5 GFBDHN CCCN1CC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835021 /nfs/dbraw/zinc/83/50/21/661835021.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N 0 3 382.269 2.664 20 5 GFBDHN O=[N+]([O-])c1sc(CNCC2(C3(O)CCOCC3)CC2)cc1Br ZINC000896625958 663568668 /nfs/dbraw/zinc/56/86/68/663568668.db2.gz WPGKGGPEOPFWBJ-UHFFFAOYSA-N 0 3 391.287 2.830 20 5 GFBDHN CN1CCC(N(CCO)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000911945919 664263284 /nfs/dbraw/zinc/26/32/84/664263284.db2.gz LYNMXHXCMJEODH-UHFFFAOYSA-N 0 3 394.230 2.569 20 5 GFBDHN CNC(=O)CN1CCCC12CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164682705 719707514 /nfs/dbraw/zinc/70/75/14/719707514.db2.gz GOEPIUMCYHNNHW-UHFFFAOYSA-N 0 3 389.503 2.964 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000359978410 209208712 /nfs/dbraw/zinc/20/87/12/209208712.db2.gz ZTAUQSFCAGYBFF-LSDHHAIUSA-N 0 3 378.812 2.968 20 5 GFBDHN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066327483 551186408 /nfs/dbraw/zinc/18/64/08/551186408.db2.gz HWNPMOYKCXJYNK-UHFFFAOYSA-N 0 3 383.495 2.977 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276378 551535957 /nfs/dbraw/zinc/53/59/57/551535957.db2.gz JQMLCXAPBCMVLY-ABAIWWIYSA-N 0 3 382.258 2.914 20 5 GFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072456 551624306 /nfs/dbraw/zinc/62/43/06/551624306.db2.gz COBJBFIJPIUEHK-OCCSQVGLSA-N 0 3 382.258 2.914 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000173260496 552081463 /nfs/dbraw/zinc/08/14/63/552081463.db2.gz YBNYBUMOSVYPBE-RISCZKNCSA-N 0 3 375.878 2.599 20 5 GFBDHN CC1CCN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179569724 552196493 /nfs/dbraw/zinc/19/64/93/552196493.db2.gz RYVFHWVPUSBJOS-UHFFFAOYSA-N 0 3 375.516 2.984 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1 ZINC000182529341 552286657 /nfs/dbraw/zinc/28/66/57/552286657.db2.gz LBLCCWNTWNDXGZ-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246183117 553104132 /nfs/dbraw/zinc/10/41/32/553104132.db2.gz NLZCDYLQYYRBJR-WCQYABFASA-N 0 3 375.878 2.599 20 5 GFBDHN CN(CCNC/C=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000255206991 553152012 /nfs/dbraw/zinc/15/20/12/553152012.db2.gz ATCLPZBOJNQMCM-DAXSKMNVSA-N 0 3 381.479 2.580 20 5 GFBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412582 563402947 /nfs/dbraw/zinc/40/29/47/563402947.db2.gz ZCEJLGVOXNNSCB-AWEZNQCLSA-N 0 3 383.290 2.574 20 5 GFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805944 563722279 /nfs/dbraw/zinc/72/22/79/563722279.db2.gz RUIYODSOSFJOLP-BXKDBHETSA-N 0 3 396.296 2.862 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416553679 563847928 /nfs/dbraw/zinc/84/79/28/563847928.db2.gz CQGKEBFQUBAFJW-LBPRGKRZSA-N 0 3 375.878 2.567 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2ccncc2)c1 ZINC000563786614 564206810 /nfs/dbraw/zinc/20/68/10/564206810.db2.gz QBFLUECHOPVQLG-UHFFFAOYSA-N 0 3 383.189 2.927 20 5 GFBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1N(C)C ZINC000542509317 564316176 /nfs/dbraw/zinc/31/61/76/564316176.db2.gz VSFBOGGYCSWZIR-WDEREUQCSA-N 0 3 375.292 2.543 20 5 GFBDHN CCN(CCOc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000478026024 564394042 /nfs/dbraw/zinc/39/40/42/564394042.db2.gz GAXIPFQPTLYXIE-UHFFFAOYSA-N 0 3 383.246 2.955 20 5 GFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000480357548 564469230 /nfs/dbraw/zinc/46/92/30/564469230.db2.gz PMRUQFOBZOGFNM-MEDUHNTESA-N 0 3 387.889 2.569 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2CC2CCCCC2)s1 ZINC000521837443 564636821 /nfs/dbraw/zinc/63/68/21/564636821.db2.gz JLAWLPCFVVSQFU-AWEZNQCLSA-N 0 3 387.527 2.979 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000521837443 564636828 /nfs/dbraw/zinc/63/68/28/564636828.db2.gz JLAWLPCFVVSQFU-AWEZNQCLSA-N 0 3 387.527 2.979 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000521837443 564636831 /nfs/dbraw/zinc/63/68/31/564636831.db2.gz JLAWLPCFVVSQFU-AWEZNQCLSA-N 0 3 387.527 2.979 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2CC2CCCCC2)s1 ZINC000521837444 564636850 /nfs/dbraw/zinc/63/68/50/564636850.db2.gz JLAWLPCFVVSQFU-CQSZACIVSA-N 0 3 387.527 2.979 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000521837444 564636855 /nfs/dbraw/zinc/63/68/55/564636855.db2.gz JLAWLPCFVVSQFU-CQSZACIVSA-N 0 3 387.527 2.979 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000521837444 564636861 /nfs/dbraw/zinc/63/68/61/564636861.db2.gz JLAWLPCFVVSQFU-CQSZACIVSA-N 0 3 387.527 2.979 20 5 GFBDHN COc1cc(CNC2(CO)CCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000459717730 564758814 /nfs/dbraw/zinc/75/88/14/564758814.db2.gz UJMMNUHBFYCZPW-UHFFFAOYSA-N 0 3 378.397 2.553 20 5 GFBDHN CC(C)(O)C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000580678521 564768767 /nfs/dbraw/zinc/76/87/67/564768767.db2.gz LFTAVVGVOGBWJL-UHFFFAOYSA-N 0 3 378.210 2.839 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[C@H](O)CC2)c1 ZINC000581755305 564817129 /nfs/dbraw/zinc/81/71/29/564817129.db2.gz FTLBGNRIMCIWBE-AULYBMBSSA-N 0 3 376.194 2.593 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000594990523 565440055 /nfs/dbraw/zinc/44/00/55/565440055.db2.gz ZQBKRGHAMIWQHC-QWHCGFSZSA-N 0 3 388.205 2.593 20 5 GFBDHN C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736131142 598501879 /nfs/dbraw/zinc/50/18/79/598501879.db2.gz JKYUJBRGAQJWTL-LBPRGKRZSA-N 0 3 382.428 2.711 20 5 GFBDHN C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000736131142 598501881 /nfs/dbraw/zinc/50/18/81/598501881.db2.gz JKYUJBRGAQJWTL-LBPRGKRZSA-N 0 3 382.428 2.711 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822212859 606136206 /nfs/dbraw/zinc/13/62/06/606136206.db2.gz KIQQPDLYRRMUMM-UHFFFAOYSA-N 0 3 393.451 2.796 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822212859 606136207 /nfs/dbraw/zinc/13/62/07/606136207.db2.gz KIQQPDLYRRMUMM-UHFFFAOYSA-N 0 3 393.451 2.796 20 5 GFBDHN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820728546 606138541 /nfs/dbraw/zinc/13/85/41/606138541.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820728546 606138544 /nfs/dbraw/zinc/13/85/44/606138544.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820728546 606138546 /nfs/dbraw/zinc/13/85/46/606138546.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820728546 606138548 /nfs/dbraw/zinc/13/85/48/606138548.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1CN1CCCCC1 ZINC000825707886 660438722 /nfs/dbraw/zinc/43/87/22/660438722.db2.gz AFWVCTBHUXCWKQ-GFCCVEGCSA-N 0 3 397.273 2.843 20 5 GFBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000830584580 660665511 /nfs/dbraw/zinc/66/55/11/660665511.db2.gz UBVIOSHZPXCOQX-UHFFFAOYSA-N 0 3 385.262 2.604 20 5 GFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702629 657252531 /nfs/dbraw/zinc/25/25/31/657252531.db2.gz XIRYTRRNMZQUGW-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169930 659078313 /nfs/dbraw/zinc/07/83/13/659078313.db2.gz GSOZYECJIRGJBR-NSHDSACASA-N 0 3 385.262 2.747 20 5 GFBDHN CC(COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[N+](=O)[O-] ZINC000813105803 660043897 /nfs/dbraw/zinc/04/38/97/660043897.db2.gz UUCMOVNZXVPGDK-QMTHXVAHSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[N+](=O)[O-] ZINC000813109137 660044372 /nfs/dbraw/zinc/04/43/72/660044372.db2.gz GBSKTWZSDAEDPS-ZETCQYMHSA-N 0 3 389.151 2.909 20 5 GFBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178282 660046057 /nfs/dbraw/zinc/04/60/57/660046057.db2.gz BOMFNYNDNDZIJY-NSHDSACASA-N 0 3 389.283 2.657 20 5 GFBDHN C[C@H](C[C@@H](O)c1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109257 661368600 /nfs/dbraw/zinc/36/86/00/661368600.db2.gz WYCLJSNPYFLVRV-IUODEOHRSA-N 0 3 384.479 2.532 20 5 GFBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629434 662295174 /nfs/dbraw/zinc/29/51/74/662295174.db2.gz POVJOCFPKZCHJC-GFCCVEGCSA-N 0 3 397.273 2.889 20 5 GFBDHN O=C(OCc1c(Br)cccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000909510021 664161862 /nfs/dbraw/zinc/16/18/62/664161862.db2.gz ZKCCMFDBNDZCRB-NSHDSACASA-N 0 3 397.225 2.802 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)cnc2c1 ZINC001164722160 720352408 /nfs/dbraw/zinc/35/24/08/720352408.db2.gz FGXZCHJCBDSRQX-MOPGFXCFSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729053 720373198 /nfs/dbraw/zinc/37/31/98/720373198.db2.gz UWIUFSADPWETHU-RBUKOAKNSA-N 0 3 376.420 2.786 20 5 GFBDHN O=c1[nH]cnc2cc(N[C@@H]3CCCN(Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952814 212057512 /nfs/dbraw/zinc/05/75/12/212057512.db2.gz LEPXEJQKUSPBQZ-OAHLLOKOSA-N 0 3 379.420 2.908 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193435443 552992914 /nfs/dbraw/zinc/99/29/14/552992914.db2.gz OZKBQYINJLUBHZ-UHFFFAOYSA-N 0 3 381.841 2.638 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537946 563408825 /nfs/dbraw/zinc/40/88/25/563408825.db2.gz VOAVQEXADLUERR-QMTHXVAHSA-N 0 3 383.246 2.915 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284668009 563485718 /nfs/dbraw/zinc/48/57/18/563485718.db2.gz GTOMUTXHOBWAKS-MRXNPFEDSA-N 0 3 393.241 2.655 20 5 GFBDHN COc1ccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000414080503 563718155 /nfs/dbraw/zinc/71/81/55/563718155.db2.gz TXDAZKLSCPLQML-NSHDSACASA-N 0 3 396.241 2.706 20 5 GFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000367202211 563835359 /nfs/dbraw/zinc/83/53/59/563835359.db2.gz YNHZKWKHOAQSHF-OAHLLOKOSA-N 0 3 397.317 2.962 20 5 GFBDHN CC(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445799499 563854498 /nfs/dbraw/zinc/85/44/98/563854498.db2.gz OIGUUIQHIUTNSB-UHFFFAOYSA-N 0 3 384.274 2.843 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000565802410 564296478 /nfs/dbraw/zinc/29/64/78/564296478.db2.gz DGLFUPSFUGFOND-ZIAGYGMSSA-N 0 3 390.221 2.935 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476798 564334612 /nfs/dbraw/zinc/33/46/12/564334612.db2.gz RMQGQKKQLUUMLS-OTYXRUKQSA-N 0 3 382.258 2.878 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000480380688 564470540 /nfs/dbraw/zinc/47/05/40/564470540.db2.gz ZDTZKOFWBHUNOV-CQSZACIVSA-N 0 3 388.287 2.524 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)c(NCCCCN2CCN(CCO)CC2)c(Cl)c1 ZINC000548444492 564552191 /nfs/dbraw/zinc/55/21/91/564552191.db2.gz UNKGLIVJEAHMII-UHFFFAOYSA-N 0 3 391.299 2.704 20 5 GFBDHN CS(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531695 564642489 /nfs/dbraw/zinc/64/24/89/564642489.db2.gz ONDJRUUNSDQUDN-CHWSQXEVSA-N 0 3 384.483 2.530 20 5 GFBDHN CN(C)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000610680846 566092286 /nfs/dbraw/zinc/09/22/86/566092286.db2.gz YTTKULXBMOQONB-UHFFFAOYSA-N 0 3 387.527 2.813 20 5 GFBDHN CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821180302 599277334 /nfs/dbraw/zinc/27/73/34/599277334.db2.gz BKYAUJUDXAWDNF-INIZCTEOSA-N 0 3 382.428 2.665 20 5 GFBDHN CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821180302 599277336 /nfs/dbraw/zinc/27/73/36/599277336.db2.gz BKYAUJUDXAWDNF-INIZCTEOSA-N 0 3 382.428 2.665 20 5 GFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000824414265 608279867 /nfs/dbraw/zinc/27/98/67/608279867.db2.gz YJDKMGNZDVPPBB-CQSZACIVSA-N 0 3 382.424 2.765 20 5 GFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824414265 608279868 /nfs/dbraw/zinc/27/98/68/608279868.db2.gz YJDKMGNZDVPPBB-CQSZACIVSA-N 0 3 382.424 2.765 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)CC2)cc1 ZINC000826497967 608283444 /nfs/dbraw/zinc/28/34/44/608283444.db2.gz BBSFDHAECWVULF-UHFFFAOYSA-N 0 3 397.414 2.673 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)CC2)cc1 ZINC000826497967 608283446 /nfs/dbraw/zinc/28/34/46/608283446.db2.gz BBSFDHAECWVULF-UHFFFAOYSA-N 0 3 397.414 2.673 20 5 GFBDHN CSc1ccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081228 655215617 /nfs/dbraw/zinc/21/56/17/655215617.db2.gz FHJUHGIDHSLXPR-HOCLYGCPSA-N 0 3 381.523 2.969 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000176717206 655253388 /nfs/dbraw/zinc/25/33/88/655253388.db2.gz BDTMRJDTXLGMNN-GFCCVEGCSA-N 0 3 375.878 2.519 20 5 GFBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000116907582 655256572 /nfs/dbraw/zinc/25/65/72/655256572.db2.gz NLOXFGDGRADESC-LBPRGKRZSA-N 0 3 383.857 2.877 20 5 GFBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000276957364 655294957 /nfs/dbraw/zinc/29/49/57/655294957.db2.gz PIDGPJLHERLBBL-UHFFFAOYSA-N 0 3 389.905 2.931 20 5 GFBDHN CC(C)N1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997338 655590592 /nfs/dbraw/zinc/59/05/92/655590592.db2.gz JFJLGEADJNGZHD-LLVKDONJSA-N 0 3 377.413 2.733 20 5 GFBDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810189 656252323 /nfs/dbraw/zinc/25/23/23/656252323.db2.gz DRCYSQKDUQJNGL-RYUDHWBXSA-N 0 3 375.516 2.691 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814981966 660099900 /nfs/dbraw/zinc/09/99/00/660099900.db2.gz MPDCXOYYTKBYPA-UHFFFAOYSA-N 0 3 393.868 2.881 20 5 GFBDHN CC([C@@H](OC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845881744 661503406 /nfs/dbraw/zinc/50/34/06/661503406.db2.gz OGXJTRMFBBKLER-YMTOWFKASA-N 0 3 387.410 2.854 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2SC(F)(F)F)c1 ZINC000905698031 663887321 /nfs/dbraw/zinc/88/73/21/663887321.db2.gz DZMNKJONFCFBQU-LBPRGKRZSA-N 0 3 376.360 2.554 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204503 553104636 /nfs/dbraw/zinc/10/46/36/553104636.db2.gz FGXBNTFMBSMNRF-SMDDNHRTSA-N 0 3 382.258 2.914 20 5 GFBDHN COc1cc(C[NH2+]CCCCn2cc(Br)cn2)c([N+](=O)[O-])cc1[O-] ZINC000280660174 563348722 /nfs/dbraw/zinc/34/87/22/563348722.db2.gz STQXXAYFMSCADZ-UHFFFAOYSA-N 0 3 399.245 2.838 20 5 GFBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000375963486 563424676 /nfs/dbraw/zinc/42/46/76/563424676.db2.gz KGAPMECMCRBANL-INIZCTEOSA-N 0 3 390.237 2.974 20 5 GFBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358102 563503653 /nfs/dbraw/zinc/50/36/53/563503653.db2.gz YDHHVNXGHNVBGC-OAHLLOKOSA-N 0 3 397.317 2.569 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000289504938 563676686 /nfs/dbraw/zinc/67/66/86/563676686.db2.gz LAMVUONHFRCSKQ-MQMHXKEQSA-N 0 3 390.221 2.935 20 5 GFBDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177945 564394908 /nfs/dbraw/zinc/39/49/08/564394908.db2.gz HLGOOTJDYHHRCH-GXFFZTMASA-N 0 3 378.479 2.998 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC[C@@H]2CCO)c1 ZINC000571927357 564572384 /nfs/dbraw/zinc/57/23/84/564572384.db2.gz ABUYMSKBXCRYOR-RISCZKNCSA-N 0 3 390.221 2.840 20 5 GFBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000523858984 564673445 /nfs/dbraw/zinc/67/34/45/564673445.db2.gz QIXAPEGCJJUUEN-AWEZNQCLSA-N 0 3 377.894 2.893 20 5 GFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000495581125 564856059 /nfs/dbraw/zinc/85/60/59/564856059.db2.gz UWWXWHAOJQIENU-WDBKCZKBSA-N 0 3 387.889 2.520 20 5 GFBDHN CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000613916371 565085257 /nfs/dbraw/zinc/08/52/57/565085257.db2.gz AHZGZMLHTAHTAT-OLZOCXBDSA-N 0 3 387.303 2.768 20 5 GFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857358 565578760 /nfs/dbraw/zinc/57/87/60/565578760.db2.gz FFYKHDXLRAXGHL-ZDUSSCGKSA-N 0 3 384.274 2.889 20 5 GFBDHN O=[N+]([O-])c1sc(CNCCC2CCS(=O)(=O)CC2)cc1Br ZINC000602574945 565855287 /nfs/dbraw/zinc/85/52/87/565855287.db2.gz CUDXLVSDMHYFIA-UHFFFAOYSA-N 0 3 397.316 2.723 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H]1CCOc2c(Br)cccc21 ZINC000602831051 565870913 /nfs/dbraw/zinc/87/09/13/565870913.db2.gz YPZLKIJFHWOJQF-ZDUSSCGKSA-N 0 3 381.230 2.976 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135164 566068331 /nfs/dbraw/zinc/06/83/31/566068331.db2.gz LWFGSBSDSAUNPN-AAEUAGOBSA-N 0 3 375.878 2.742 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369666 598674920 /nfs/dbraw/zinc/67/49/20/598674920.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369666 598674922 /nfs/dbraw/zinc/67/49/22/598674922.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369666 598674924 /nfs/dbraw/zinc/67/49/24/598674924.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369666 598674926 /nfs/dbraw/zinc/67/49/26/598674926.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 0 3 393.451 2.751 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705980 599473578 /nfs/dbraw/zinc/47/35/78/599473578.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705980 599473580 /nfs/dbraw/zinc/47/35/80/599473580.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705980 599473581 /nfs/dbraw/zinc/47/35/81/599473581.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705980 599473583 /nfs/dbraw/zinc/47/35/83/599473583.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 0 3 396.455 2.998 20 5 GFBDHN C[C@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400531 609605451 /nfs/dbraw/zinc/60/54/51/609605451.db2.gz JCJXEVMXSPUFIU-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400531 609605454 /nfs/dbraw/zinc/60/54/54/609605454.db2.gz JCJXEVMXSPUFIU-CYBMUJFWSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CCN1CC(C)(C)O ZINC000839573879 661092944 /nfs/dbraw/zinc/09/29/44/661092944.db2.gz HLXAGEJFFZABID-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149489 655429312 /nfs/dbraw/zinc/42/93/12/655429312.db2.gz OVTQSXJXBSMVEW-JSGCOSHPSA-N 0 3 389.905 2.907 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000574804313 655430995 /nfs/dbraw/zinc/43/09/95/655430995.db2.gz YIGNSGNCGUQIQJ-LBPRGKRZSA-N 0 3 397.225 2.592 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCCCO2)c1 ZINC000577717652 655465523 /nfs/dbraw/zinc/46/55/23/655465523.db2.gz DAYHZOZKUJPWDO-ZDUSSCGKSA-N 0 3 376.194 2.858 20 5 GFBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000749144717 655801014 /nfs/dbraw/zinc/80/10/14/655801014.db2.gz UJBLHXOAPDCRKU-CYBMUJFWSA-N 0 3 385.262 2.808 20 5 GFBDHN CCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754999880 655878239 /nfs/dbraw/zinc/87/82/39/655878239.db2.gz ZXPHQHWNYUSFMU-UHFFFAOYSA-N 0 3 376.226 2.910 20 5 GFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000769525053 656279567 /nfs/dbraw/zinc/27/95/67/656279567.db2.gz ONBTWWJBNZWJCJ-ZDUSSCGKSA-N 0 3 384.274 2.511 20 5 GFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000776582694 656762412 /nfs/dbraw/zinc/76/24/12/656762412.db2.gz TXBHQKOUGBFRKE-MRXNPFEDSA-N 0 3 395.257 2.924 20 5 GFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H](C)C1 ZINC000798160507 659076865 /nfs/dbraw/zinc/07/68/65/659076865.db2.gz KWHPOCMQEWPYOJ-GHMZBOCLSA-N 0 3 385.262 2.603 20 5 GFBDHN CC(COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[N+](=O)[O-] ZINC000813111412 660044390 /nfs/dbraw/zinc/04/43/90/660044390.db2.gz GTZBRSYWJKMYNL-SSDOTTSWSA-N 0 3 378.694 2.762 20 5 GFBDHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000866212100 662464684 /nfs/dbraw/zinc/46/46/84/662464684.db2.gz CNHAUIPNLUSGIR-UHFFFAOYSA-N 0 3 397.317 2.882 20 5 GFBDHN CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000869072700 662628898 /nfs/dbraw/zinc/62/88/98/662628898.db2.gz PZTIAERXBNPDKP-CYBMUJFWSA-N 0 3 384.274 2.843 20 5 GFBDHN CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000889718531 663259814 /nfs/dbraw/zinc/25/98/14/663259814.db2.gz FKLSYULVVVQVGO-CYBMUJFWSA-N 0 3 385.262 2.593 20 5 GFBDHN O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897219744 663595132 /nfs/dbraw/zinc/59/51/32/663595132.db2.gz NOHJSBVHOURSGW-OLZOCXBDSA-N 0 3 388.237 2.532 20 5 GFBDHN Nc1c(Br)cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000932272655 664817604 /nfs/dbraw/zinc/81/76/04/664817604.db2.gz JAEJOALCTIOQBJ-GFCCVEGCSA-N 0 3 397.273 2.640 20 5 GFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000935368873 664956946 /nfs/dbraw/zinc/95/69/46/664956946.db2.gz UZMHKUOHDBOCAL-GDBMZVCRSA-N 0 3 381.523 2.969 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761880 721241482 /nfs/dbraw/zinc/24/14/82/721241482.db2.gz JRUBCWSMFKXZFJ-ROUUACIJSA-N 0 3 392.463 2.835 20 5 GFBDHN CN(C)CCN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000176390290 552140065 /nfs/dbraw/zinc/14/00/65/552140065.db2.gz OZVSWKFYAOYUMB-UHFFFAOYSA-N 0 3 386.239 2.721 20 5 GFBDHN CCc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180942500 552240959 /nfs/dbraw/zinc/24/09/59/552240959.db2.gz XUEGIQYOAXCGQL-GFCCVEGCSA-N 0 3 383.495 2.848 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094017 553102075 /nfs/dbraw/zinc/10/20/75/553102075.db2.gz GXTCOFRACPNJAI-NHYWBVRUSA-N 0 3 389.905 2.907 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657511 553150314 /nfs/dbraw/zinc/15/03/14/553150314.db2.gz ZYMQJWXJUVZSRI-TZMCWYRMSA-N 0 3 387.889 2.661 20 5 GFBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190681 563318944 /nfs/dbraw/zinc/31/89/44/563318944.db2.gz UHBMVXSHOBUKEP-AWEZNQCLSA-N 0 3 394.280 2.618 20 5 GFBDHN O=[N+]([O-])c1cnc(N2CC[C@H](OCCN3CCCCC3)C2)c(Br)c1 ZINC000301803199 563412778 /nfs/dbraw/zinc/41/27/78/563412778.db2.gz CYSWHOJTRLQHRA-AWEZNQCLSA-N 0 3 399.289 2.834 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000425404976 563420667 /nfs/dbraw/zinc/42/06/67/563420667.db2.gz KNOHRFGHPKKFMD-UHFFFAOYSA-N 0 3 398.301 2.902 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cccc(Br)c2)c1 ZINC000320267916 563446399 /nfs/dbraw/zinc/44/63/99/563446399.db2.gz KTYUDYMBOJVFHB-OAHLLOKOSA-N 0 3 381.226 2.887 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000408100140 563544643 /nfs/dbraw/zinc/54/46/43/563544643.db2.gz QJTITMKPXRUHNS-AWEZNQCLSA-N 0 3 387.889 2.887 20 5 GFBDHN C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(C)C ZINC000412387678 563655940 /nfs/dbraw/zinc/65/59/40/563655940.db2.gz FKEHDIVHIYVCBY-VIFPVBQESA-N 0 3 386.239 2.767 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCN2CCC[C@@H]2C1 ZINC000363517271 563725188 /nfs/dbraw/zinc/72/51/88/563725188.db2.gz ZOZXNLFHONBVRV-WDEREUQCSA-N 0 3 375.397 2.630 20 5 GFBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158478 563894753 /nfs/dbraw/zinc/89/47/53/563894753.db2.gz DLFCWKVBUNWIHC-CYBMUJFWSA-N 0 3 389.905 2.895 20 5 GFBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158478 563894754 /nfs/dbraw/zinc/89/47/54/563894754.db2.gz DLFCWKVBUNWIHC-CYBMUJFWSA-N 0 3 389.905 2.895 20 5 GFBDHN CS(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531696 564642714 /nfs/dbraw/zinc/64/27/14/564642714.db2.gz ONDJRUUNSDQUDN-OLZOCXBDSA-N 0 3 384.483 2.530 20 5 GFBDHN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000523862567 564673965 /nfs/dbraw/zinc/67/39/65/564673965.db2.gz WGMMFNUEVXHOQY-CQSZACIVSA-N 0 3 377.894 2.893 20 5 GFBDHN CC[C@H](C)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635275 564855744 /nfs/dbraw/zinc/85/57/44/564855744.db2.gz UCZSQMJREGJEET-TVQRCGJNSA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000585698384 565105835 /nfs/dbraw/zinc/10/58/35/565105835.db2.gz QLCAGKMFKSFTET-UHFFFAOYSA-N 0 3 396.245 2.676 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409255 565474377 /nfs/dbraw/zinc/47/43/77/565474377.db2.gz CPXXTWYPADNDSV-CYBMUJFWSA-N 0 3 387.889 2.649 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409255 565474384 /nfs/dbraw/zinc/47/43/84/565474384.db2.gz CPXXTWYPADNDSV-CYBMUJFWSA-N 0 3 387.889 2.649 20 5 GFBDHN NCc1cccc2c1N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000599101838 565656969 /nfs/dbraw/zinc/65/69/69/565656969.db2.gz IJFXMFVELYWVEJ-UHFFFAOYSA-N 0 3 381.841 2.848 20 5 GFBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597919 599107715 /nfs/dbraw/zinc/10/77/15/599107715.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597919 599107717 /nfs/dbraw/zinc/10/77/17/599107717.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597919 599107719 /nfs/dbraw/zinc/10/77/19/599107719.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597919 599107722 /nfs/dbraw/zinc/10/77/22/599107722.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735859550 598237660 /nfs/dbraw/zinc/23/76/60/598237660.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 0 3 382.428 2.622 20 5 GFBDHN CC(C)[N@@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735859550 598237661 /nfs/dbraw/zinc/23/76/61/598237661.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 0 3 382.428 2.622 20 5 GFBDHN CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735859550 598237662 /nfs/dbraw/zinc/23/76/62/598237662.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 0 3 382.428 2.622 20 5 GFBDHN CC(C)[N@@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735859550 598237664 /nfs/dbraw/zinc/23/76/64/598237664.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 0 3 382.428 2.622 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476125 /nfs/dbraw/zinc/47/61/25/599476125.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476128 /nfs/dbraw/zinc/47/61/28/599476128.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476131 /nfs/dbraw/zinc/47/61/31/599476131.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476134 /nfs/dbraw/zinc/47/61/34/599476134.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000577027576 655456326 /nfs/dbraw/zinc/45/63/26/655456326.db2.gz RELFOPLCQNIINM-GHMZBOCLSA-N 0 3 389.237 2.724 20 5 GFBDHN C[C@H](Cn1cccn1)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000577376351 655458153 /nfs/dbraw/zinc/45/81/53/655458153.db2.gz YITRBEMXQCPNDS-SNVBAGLBSA-N 0 3 386.193 2.574 20 5 GFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000763622234 656088487 /nfs/dbraw/zinc/08/84/87/656088487.db2.gz ALTQHKWABZZOIV-UHFFFAOYSA-N 0 3 375.466 2.785 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820649 659942736 /nfs/dbraw/zinc/94/27/36/659942736.db2.gz FHFFDENOUDXHMM-LLVKDONJSA-N 0 3 393.868 2.882 20 5 GFBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809835229 659947160 /nfs/dbraw/zinc/94/71/60/659947160.db2.gz IVZVBUJTAGWTEO-SECBINFHSA-N 0 3 384.285 2.910 20 5 GFBDHN CC([C@@H](OC(=O)c1cnn(C)c1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845874300 661502630 /nfs/dbraw/zinc/50/26/30/661502630.db2.gz GZAJZCNPAMKATQ-QPUJVOFHSA-N 0 3 386.177 2.885 20 5 GFBDHN CCCS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000922573706 664607310 /nfs/dbraw/zinc/60/73/10/664607310.db2.gz WTKLASKPPYWNTE-UHFFFAOYSA-N 0 3 375.878 2.542 20 5 GFBDHN O=c1[nH]cnc2cc(N[C@H]3CCCN(Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952813 212057675 /nfs/dbraw/zinc/05/76/75/212057675.db2.gz LEPXEJQKUSPBQZ-HNNXBMFYSA-N 0 3 379.420 2.908 20 5 GFBDHN C[NH+](C)Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000180053565 552210724 /nfs/dbraw/zinc/21/07/24/552210724.db2.gz MGGXFFYVRHNLDP-UHFFFAOYSA-N 0 3 383.857 2.788 20 5 GFBDHN COc1cc(Br)ccc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000190443550 552496575 /nfs/dbraw/zinc/49/65/75/552496575.db2.gz LHGNNMSZERZXBI-NSHDSACASA-N 0 3 396.241 2.878 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094021 553102176 /nfs/dbraw/zinc/10/21/76/553102176.db2.gz GXTCOFRACPNJAI-XHDPSFHLSA-N 0 3 389.905 2.907 20 5 GFBDHN O=C(CNc1ccc([N+](=O)[O-])cc1Br)NCCN1CCCCCC1 ZINC000431508312 563561333 /nfs/dbraw/zinc/56/13/33/563561333.db2.gz XTVMSBVHALCEKZ-UHFFFAOYSA-N 0 3 399.289 2.761 20 5 GFBDHN CSc1cccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000332084187 563575023 /nfs/dbraw/zinc/57/50/23/563575023.db2.gz PLWUWOAAVUQCRB-HIFRSBDPSA-N 0 3 381.523 2.969 20 5 GFBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710497 563792901 /nfs/dbraw/zinc/79/29/01/563792901.db2.gz ZGGJPZVZSNVCOD-QPUJVOFHSA-N 0 3 387.234 2.592 20 5 GFBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416359095 563817777 /nfs/dbraw/zinc/81/77/77/563817777.db2.gz IEZZFUDIMBYHFW-UHFFFAOYSA-N 0 3 383.392 2.624 20 5 GFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCCc3sccc32)c1 ZINC000537941981 564178281 /nfs/dbraw/zinc/17/82/81/564178281.db2.gz KOJWOZWHAVQDPP-HNNXBMFYSA-N 0 3 381.479 2.602 20 5 GFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC(C)(C)C ZINC000540142691 564241070 /nfs/dbraw/zinc/24/10/70/564241070.db2.gz LLQYNVSAYORSDB-CYBMUJFWSA-N 0 3 389.543 2.773 20 5 GFBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000543504812 564353515 /nfs/dbraw/zinc/35/35/15/564353515.db2.gz RHLJTPXEUAKEQQ-GHMZBOCLSA-N 0 3 386.246 2.701 20 5 GFBDHN C[C@@H](CCCC(F)(F)F)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000480198698 564463418 /nfs/dbraw/zinc/46/34/18/564463418.db2.gz SXFQPKZJHGKNGA-NSHDSACASA-N 0 3 383.392 2.584 20 5 GFBDHN CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480759193 564486492 /nfs/dbraw/zinc/48/64/92/564486492.db2.gz UFAWYCKZGNXJAQ-UHFFFAOYSA-N 0 3 375.878 2.649 20 5 GFBDHN CSC1(CNc2ncc(Br)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000516221650 564496781 /nfs/dbraw/zinc/49/67/81/564496781.db2.gz PDJWAIIJEMZCJU-UHFFFAOYSA-N 0 3 375.292 2.992 20 5 GFBDHN CCC(CC)(CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000548939129 564581397 /nfs/dbraw/zinc/58/13/97/564581397.db2.gz ZZPZZXQUAKGXMW-UHFFFAOYSA-N 0 3 388.262 2.827 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCN2CCCCC2)c1 ZINC000558490892 564904275 /nfs/dbraw/zinc/90/42/75/564904275.db2.gz LGUFLQPEGINYKK-UHFFFAOYSA-N 0 3 389.237 2.775 20 5 GFBDHN CN(C)CCN(Cc1ccc(Br)cc1)c1c([N+](=O)[O-])ncn1C ZINC000470450627 565047300 /nfs/dbraw/zinc/04/73/00/565047300.db2.gz DEXMHENTDQJPAV-UHFFFAOYSA-N 0 3 382.262 2.659 20 5 GFBDHN CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000613916368 565085622 /nfs/dbraw/zinc/08/56/22/565085622.db2.gz AHZGZMLHTAHTAT-CHWSQXEVSA-N 0 3 387.303 2.768 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(F)cc2Cl)cc1 ZINC000589511518 565165707 /nfs/dbraw/zinc/16/57/07/565165707.db2.gz QXTYMTOUEMPNGO-UHFFFAOYSA-N 0 3 386.832 2.993 20 5 GFBDHN NC(=O)[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000599002963 565652747 /nfs/dbraw/zinc/65/27/47/565652747.db2.gz FYHJQUGKTCXCOU-MGCOHNPYSA-N 0 3 394.225 2.971 20 5 GFBDHN CC[N@@H+]1CCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124282 /nfs/dbraw/zinc/12/42/82/606124282.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@H+]1CCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124284 /nfs/dbraw/zinc/12/42/84/606124284.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@@H+]1CCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124286 /nfs/dbraw/zinc/12/42/86/606124286.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 0 3 382.428 2.609 20 5 GFBDHN CC[N@H+]1CCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124287 /nfs/dbraw/zinc/12/42/87/606124287.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824584830 608468422 /nfs/dbraw/zinc/46/84/22/608468422.db2.gz IDIWQJOOVYHFON-JTQLQIEISA-N 0 3 387.425 2.516 20 5 GFBDHN CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000131246522 654900238 /nfs/dbraw/zinc/90/02/38/654900238.db2.gz YTFJHPSNXAAVOF-UHFFFAOYSA-N 0 3 375.878 2.791 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273399545 655142034 /nfs/dbraw/zinc/14/20/34/655142034.db2.gz GISYDBZCWXGAFO-LBPRGKRZSA-N 0 3 389.905 2.907 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723492 655253543 /nfs/dbraw/zinc/25/35/43/655253543.db2.gz OVTQSXJXBSMVEW-OCCSQVGLSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000116907583 655256829 /nfs/dbraw/zinc/25/68/29/655256829.db2.gz NLOXFGDGRADESC-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246258550 655429600 /nfs/dbraw/zinc/42/96/00/655429600.db2.gz KQPQDKRUSDXKQO-GXTWGEPZSA-N 0 3 387.889 2.661 20 5 GFBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000752231791 655841030 /nfs/dbraw/zinc/84/10/30/655841030.db2.gz MCJKOCAQKARVPJ-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077252 657100637 /nfs/dbraw/zinc/10/06/37/657100637.db2.gz DBMPNCDDOZCFDR-HZPDHXFCSA-N 0 3 381.226 2.714 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000809808384 659940232 /nfs/dbraw/zinc/94/02/32/659940232.db2.gz QZNUFCQXMXBGBM-GHMZBOCLSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000809808384 659940235 /nfs/dbraw/zinc/94/02/35/659940235.db2.gz QZNUFCQXMXBGBM-GHMZBOCLSA-N 0 3 393.868 2.929 20 5 GFBDHN CC(COC(=O)CCC[S@](=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109235 660044305 /nfs/dbraw/zinc/04/43/05/660044305.db2.gz HFSHLTDQCUOTSG-CWKPULSASA-N 0 3 378.244 2.545 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813111688 660044404 /nfs/dbraw/zinc/04/44/04/660044404.db2.gz KIAAGUHTDGTAEL-RNCFNFMXSA-N 0 3 375.208 2.806 20 5 GFBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000816952258 660174326 /nfs/dbraw/zinc/17/43/26/660174326.db2.gz GNWNJZNQIZADNZ-PRHODGIISA-N 0 3 388.649 2.787 20 5 GFBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309051 662541002 /nfs/dbraw/zinc/54/10/02/662541002.db2.gz PZNWAIRIMJZNGJ-SCZZXKLOSA-N 0 3 382.269 2.615 20 5 GFBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867865268 662584234 /nfs/dbraw/zinc/58/42/34/662584234.db2.gz WYAYCSDGYQGNFF-UHFFFAOYSA-N 0 3 375.516 2.645 20 5 GFBDHN COC(=O)N1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000876970669 662868983 /nfs/dbraw/zinc/86/89/83/662868983.db2.gz BBTIMNMKBSFVIC-UHFFFAOYSA-N 0 3 378.248 2.739 20 5 GFBDHN O=[N+]([O-])c1ncccc1CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000886297439 663107790 /nfs/dbraw/zinc/10/77/90/663107790.db2.gz RHZIVEZJOGPNSM-QGZVFWFLSA-N 0 3 392.253 2.762 20 5 GFBDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726794 663261271 /nfs/dbraw/zinc/26/12/71/663261271.db2.gz YCMJNSOYOAQJHP-UHFFFAOYSA-N 0 3 387.278 2.839 20 5 GFBDHN O=C(OCc1cc([N+](=O)[O-])ccc1Br)C1CCCN(C2CC2)C1=O ZINC000924052504 664645661 /nfs/dbraw/zinc/64/56/61/664645661.db2.gz HBCLSCNJJRPJKR-ZDUSSCGKSA-N 0 3 397.225 2.802 20 5 GFBDHN C[C@@](CO)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495593 664908828 /nfs/dbraw/zinc/90/88/28/664908828.db2.gz FBXRCXVOIWRQLW-IRXDYDNUSA-N 0 3 395.253 2.888 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122468985 551298203 /nfs/dbraw/zinc/29/82/03/551298203.db2.gz QAUUARFCVBDKAR-IUODEOHRSA-N 0 3 387.889 2.661 20 5 GFBDHN CC(C)NS(=O)(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171767539 551662522 /nfs/dbraw/zinc/66/25/22/551662522.db2.gz DNWLKBAWUZSDTM-UHFFFAOYSA-N 0 3 383.495 2.741 20 5 GFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868720 563274311 /nfs/dbraw/zinc/27/43/11/563274311.db2.gz XSCJNEFSCVERAB-UWVGGRQHSA-N 0 3 388.287 2.975 20 5 GFBDHN O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[C@H](N2CCCC2)C1 ZINC000372960548 563323730 /nfs/dbraw/zinc/32/37/30/563323730.db2.gz GKJLAJDKEHMRPE-JTQLQIEISA-N 0 3 386.221 2.807 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC1(CO)Cc2ccccc2C1 ZINC000425410529 563420479 /nfs/dbraw/zinc/42/04/79/563420479.db2.gz XKSDHCLRJQAFBJ-UHFFFAOYSA-N 0 3 377.238 2.977 20 5 GFBDHN C[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000425437093 563422184 /nfs/dbraw/zinc/42/21/84/563422184.db2.gz AQRJCPCILWMIQM-LBPRGKRZSA-N 0 3 386.290 2.634 20 5 GFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729790 563451994 /nfs/dbraw/zinc/45/19/94/563451994.db2.gz STWQBZUJRSBWNJ-RNCFNFMXSA-N 0 3 386.221 2.663 20 5 GFBDHN O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C12CCCN1CCC2 ZINC000286185005 563551679 /nfs/dbraw/zinc/55/16/79/563551679.db2.gz JXRONZYZEBXSDM-UHFFFAOYSA-N 0 3 394.269 2.870 20 5 GFBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330044 563839059 /nfs/dbraw/zinc/83/90/59/563839059.db2.gz XMCWIFNEGMFZPI-MRXNPFEDSA-N 0 3 382.258 2.915 20 5 GFBDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449439817 564187006 /nfs/dbraw/zinc/18/70/06/564187006.db2.gz AFBPCVIVAPFOAK-LBPRGKRZSA-N 0 3 383.495 2.741 20 5 GFBDHN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000523858985 564673754 /nfs/dbraw/zinc/67/37/54/564673754.db2.gz QIXAPEGCJJUUEN-CQSZACIVSA-N 0 3 377.894 2.893 20 5 GFBDHN CO[C@H]1C[C@@H](N(C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579889100 564753096 /nfs/dbraw/zinc/75/30/96/564753096.db2.gz FGPCAFRVOPEKIY-BJHJDKERSA-N 0 3 376.194 2.809 20 5 GFBDHN C[C@H]1CN(C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053488 564867862 /nfs/dbraw/zinc/86/78/62/564867862.db2.gz JHTXRSUKBVREDZ-CABZTGNLSA-N 0 3 381.230 2.996 20 5 GFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1cccs1 ZINC000468607326 564987817 /nfs/dbraw/zinc/98/78/17/564987817.db2.gz CDVMLICNZSGMJP-RAXLEYEMSA-N 0 3 381.479 2.628 20 5 GFBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000503989865 565032953 /nfs/dbraw/zinc/03/29/53/565032953.db2.gz WZWCVNDLLZAYEH-UHFFFAOYSA-N 0 3 377.894 2.988 20 5 GFBDHN C[C@H]1CCN(CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315435 565161748 /nfs/dbraw/zinc/16/17/48/565161748.db2.gz OBURFSJSJHZBSD-NSHDSACASA-N 0 3 389.237 2.631 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409257 565474950 /nfs/dbraw/zinc/47/49/50/565474950.db2.gz CPXXTWYPADNDSV-ZDUSSCGKSA-N 0 3 387.889 2.649 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409257 565474955 /nfs/dbraw/zinc/47/49/55/565474955.db2.gz CPXXTWYPADNDSV-ZDUSSCGKSA-N 0 3 387.889 2.649 20 5 GFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111223 565513794 /nfs/dbraw/zinc/51/37/94/565513794.db2.gz YDXPNNADQXGICA-AWEZNQCLSA-N 0 3 399.289 2.712 20 5 GFBDHN CN(C)C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000609423962 566038923 /nfs/dbraw/zinc/03/89/23/566038923.db2.gz AWYFHLDXUKFKJH-LBPRGKRZSA-N 0 3 395.257 2.672 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738368041 599260512 /nfs/dbraw/zinc/26/05/12/599260512.db2.gz ZDSPONKEXPLAIN-UHFFFAOYSA-N 0 3 382.428 2.611 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000738368041 599260515 /nfs/dbraw/zinc/26/05/15/599260515.db2.gz ZDSPONKEXPLAIN-UHFFFAOYSA-N 0 3 382.428 2.611 20 5 GFBDHN CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736558984 598457452 /nfs/dbraw/zinc/45/74/52/598457452.db2.gz RQYXSLWKAYAWBS-UHFFFAOYSA-N 0 3 381.440 2.863 20 5 GFBDHN CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736558984 598457454 /nfs/dbraw/zinc/45/74/54/598457454.db2.gz RQYXSLWKAYAWBS-UHFFFAOYSA-N 0 3 381.440 2.863 20 5 GFBDHN CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736558438 598457823 /nfs/dbraw/zinc/45/78/23/598457823.db2.gz KFSGBXCGZIDMKN-UHFFFAOYSA-N 0 3 381.440 2.863 20 5 GFBDHN C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736766888 598674716 /nfs/dbraw/zinc/67/47/16/598674716.db2.gz HUXITCAKWSZECR-UHFFFAOYSA-N 0 3 397.439 2.718 20 5 GFBDHN C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736766888 598674717 /nfs/dbraw/zinc/67/47/17/598674717.db2.gz HUXITCAKWSZECR-UHFFFAOYSA-N 0 3 397.439 2.718 20 5 GFBDHN CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000824953645 607737338 /nfs/dbraw/zinc/73/73/38/607737338.db2.gz GOZSBYXPYMACOT-UHFFFAOYSA-N 0 3 386.460 2.625 20 5 GFBDHN CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000824953645 607737339 /nfs/dbraw/zinc/73/73/39/607737339.db2.gz GOZSBYXPYMACOT-UHFFFAOYSA-N 0 3 386.460 2.625 20 5 GFBDHN C[C@@H](C[NH+]1CCCCC1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262483 606451195 /nfs/dbraw/zinc/45/11/95/606451195.db2.gz WVEHTPDDTIZOGW-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN C[C@@H](C[NH+]1CCCCC1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262483 606451197 /nfs/dbraw/zinc/45/11/97/606451197.db2.gz WVEHTPDDTIZOGW-LBPRGKRZSA-N 0 3 382.428 2.609 20 5 GFBDHN COc1ccc(OCC[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826211596 608485265 /nfs/dbraw/zinc/48/52/65/608485265.db2.gz MCKSRWQPIIUQAN-LBPRGKRZSA-N 0 3 384.396 2.513 20 5 GFBDHN COc1ccc(OCC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826211596 608485266 /nfs/dbraw/zinc/48/52/66/608485266.db2.gz MCKSRWQPIIUQAN-LBPRGKRZSA-N 0 3 384.396 2.513 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000108416574 655132283 /nfs/dbraw/zinc/13/22/83/655132283.db2.gz VDTNOHZVOJQBLF-GFCCVEGCSA-N 0 3 375.878 2.649 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263010 655165788 /nfs/dbraw/zinc/16/57/88/655165788.db2.gz DKDQKBIQBWZFTF-DGCLKSJQSA-N 0 3 375.878 2.599 20 5 GFBDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423553 658096074 /nfs/dbraw/zinc/09/60/74/658096074.db2.gz RSLOANPRBNRXOT-SECBINFHSA-N 0 3 384.285 2.910 20 5 GFBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178281 660046004 /nfs/dbraw/zinc/04/60/04/660046004.db2.gz BOMFNYNDNDZIJY-LLVKDONJSA-N 0 3 389.283 2.657 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020266 660102556 /nfs/dbraw/zinc/10/25/56/660102556.db2.gz WAUZTDLLGJESGQ-QWRGUYRKSA-N 0 3 393.868 2.881 20 5 GFBDHN CC([C@H](OC(=O)c1nn(C)cc1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845876332 661502937 /nfs/dbraw/zinc/50/29/37/661502937.db2.gz CFHKDEBBACKCRU-OQPBUACISA-N 0 3 386.177 2.885 20 5 GFBDHN CC([C@H](OC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845881743 661503398 /nfs/dbraw/zinc/50/33/98/661503398.db2.gz OGXJTRMFBBKLER-XPTSAGLGSA-N 0 3 387.410 2.854 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(Br)nn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879329 661503420 /nfs/dbraw/zinc/50/34/20/661503420.db2.gz IPNBNFOXURXGCV-ISVAXAHUSA-N 0 3 386.177 2.885 20 5 GFBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806672 662577701 /nfs/dbraw/zinc/57/77/01/662577701.db2.gz HJLURSCTWVCTKR-MWLCHTKSSA-N 0 3 394.280 2.616 20 5 GFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836274 662837951 /nfs/dbraw/zinc/83/79/51/662837951.db2.gz DYOLIJLWYQLEGV-CABCVRRESA-N 0 3 382.258 2.595 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768395 663041115 /nfs/dbraw/zinc/04/11/15/663041115.db2.gz CFOASIHFLYOJIQ-UHFFFAOYSA-N 0 3 387.889 2.806 20 5 GFBDHN O=[N+]([O-])c1nn(CN2CCCN(Cc3ccccc3)CC2)cc1Br ZINC000917613629 664487296 /nfs/dbraw/zinc/48/72/96/664487296.db2.gz LVNRLZUVAOGIQS-UHFFFAOYSA-N 0 3 394.273 2.719 20 5 GFBDHN CN1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622587 551418248 /nfs/dbraw/zinc/41/82/48/551418248.db2.gz VKSDICAHNBROGP-QMMMGPOBSA-N 0 3 376.638 2.692 20 5 GFBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163356860 551619015 /nfs/dbraw/zinc/61/90/15/551619015.db2.gz NRRHRWSYTWAKNO-UHFFFAOYSA-N 0 3 383.392 2.624 20 5 GFBDHN COCCN1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637331 552289490 /nfs/dbraw/zinc/28/94/90/552289490.db2.gz RQCJUZWNFWYIBE-CYBMUJFWSA-N 0 3 387.889 2.567 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246741889 553112796 /nfs/dbraw/zinc/11/27/96/553112796.db2.gz PEJYZWKFPLTSQT-XJKSGUPXSA-N 0 3 396.285 2.843 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330731179 563519174 /nfs/dbraw/zinc/51/91/74/563519174.db2.gz QDWSHALQZOYAEE-UHFFFAOYSA-N 0 3 375.878 2.742 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000285538955 563525845 /nfs/dbraw/zinc/52/58/45/563525845.db2.gz HUPVPQXJWQMBGL-ABAIWWIYSA-N 0 3 382.258 2.832 20 5 GFBDHN CSc1cccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084182 563575019 /nfs/dbraw/zinc/57/50/19/563575019.db2.gz PLWUWOAAVUQCRB-DZGCQCFKSA-N 0 3 381.523 2.969 20 5 GFBDHN CN1CCN(C[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393964 563720937 /nfs/dbraw/zinc/72/09/37/563720937.db2.gz XFSONTKOIMWFIR-AWEZNQCLSA-N 0 3 397.317 2.821 20 5 GFBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330038 563838837 /nfs/dbraw/zinc/83/88/37/563838837.db2.gz XMCWIFNEGMFZPI-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512694 564185047 /nfs/dbraw/zinc/18/50/47/564185047.db2.gz CDMDTYKQTAZLGK-KRWDZBQOSA-N 0 3 396.285 2.844 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504409 564236620 /nfs/dbraw/zinc/23/66/20/564236620.db2.gz KCVIYXAEOFMVMF-RYUDHWBXSA-N 0 3 375.878 2.742 20 5 GFBDHN CCC[C@](C)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564689272 564245423 /nfs/dbraw/zinc/24/54/23/564245423.db2.gz NFOJHBAZTRCQPV-CYBMUJFWSA-N 0 3 378.210 2.840 20 5 GFBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C2CC2)C1 ZINC000475836013 564322053 /nfs/dbraw/zinc/32/20/53/564322053.db2.gz NNZKBYMIAUIZGD-CQSZACIVSA-N 0 3 382.258 2.595 20 5 GFBDHN CS[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000543311630 564345920 /nfs/dbraw/zinc/34/59/20/564345920.db2.gz PAVLGBOBHHZVPP-OCCSQVGLSA-N 0 3 389.930 2.844 20 5 GFBDHN Cc1c(Br)c(NC[C@@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000543435915 564350465 /nfs/dbraw/zinc/35/04/65/564350465.db2.gz GTIDSLZFDLHZOD-ZDUSSCGKSA-N 0 3 375.292 2.910 20 5 GFBDHN CCC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000512257425 564396265 /nfs/dbraw/zinc/39/62/65/564396265.db2.gz FNBKMIFJLJCMIA-OAHLLOKOSA-N 0 3 386.246 2.845 20 5 GFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000573041334 564621142 /nfs/dbraw/zinc/62/11/42/564621142.db2.gz JGADEXSCVHOCCW-UHFFFAOYSA-N 0 3 396.245 2.514 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000487971518 564701047 /nfs/dbraw/zinc/70/10/47/564701047.db2.gz WETBXFGYQBBYIW-MRXNPFEDSA-N 0 3 386.905 2.527 20 5 GFBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749220 564759597 /nfs/dbraw/zinc/75/95/97/564759597.db2.gz GZKOGXRYNIBHAA-ZIAGYGMSSA-N 0 3 398.257 2.843 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462568089 564848464 /nfs/dbraw/zinc/84/84/64/564848464.db2.gz XRPDUWRSFQSREN-CQSZACIVSA-N 0 3 387.889 2.791 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462568089 564848466 /nfs/dbraw/zinc/84/84/66/564848466.db2.gz XRPDUWRSFQSREN-CQSZACIVSA-N 0 3 387.889 2.791 20 5 GFBDHN CC[C@@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589261287 565159229 /nfs/dbraw/zinc/15/92/29/565159229.db2.gz HLDRSWFNNDGMAP-CYBMUJFWSA-N 0 3 376.194 2.858 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCOC(F)(F)F)c1 ZINC000589317781 565161054 /nfs/dbraw/zinc/16/10/54/565161054.db2.gz MWKUJQCFRUMPSF-UHFFFAOYSA-N 0 3 390.099 2.825 20 5 GFBDHN O=C1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000594987860 565439867 /nfs/dbraw/zinc/43/98/67/565439867.db2.gz LFTMQSBCURXOMP-JTQLQIEISA-N 0 3 394.225 2.986 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCOC[C@H]3O)o2)c(Br)c1 ZINC000599012710 565654243 /nfs/dbraw/zinc/65/42/43/565654243.db2.gz VJBNYFJCNAAZQE-HUUCEWRRSA-N 0 3 397.225 2.857 20 5 GFBDHN CN(C)[C@@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000602563136 565854946 /nfs/dbraw/zinc/85/49/46/565854946.db2.gz FJUILXKLJQVXKC-GFCCVEGCSA-N 0 3 380.333 2.946 20 5 GFBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)N1CCOCC1 ZINC000602564046 565855530 /nfs/dbraw/zinc/85/55/30/565855530.db2.gz KQTXIYFXGHZXCY-NXEZZACHSA-N 0 3 378.292 2.618 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373490 598500072 /nfs/dbraw/zinc/50/00/72/598500072.db2.gz DQVMXMGXLMUVPB-UHFFFAOYSA-N 0 3 394.439 2.942 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373490 598500074 /nfs/dbraw/zinc/50/00/74/598500074.db2.gz DQVMXMGXLMUVPB-UHFFFAOYSA-N 0 3 394.439 2.942 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738359485 598673755 /nfs/dbraw/zinc/67/37/55/598673755.db2.gz RVKZAWOHUXNKPL-OAHLLOKOSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738359485 598673757 /nfs/dbraw/zinc/67/37/57/598673757.db2.gz RVKZAWOHUXNKPL-OAHLLOKOSA-N 0 3 385.472 2.867 20 5 GFBDHN O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823639826 599432378 /nfs/dbraw/zinc/43/23/78/599432378.db2.gz HZIHAQBOQSNZJF-UHFFFAOYSA-N 0 3 379.424 2.983 20 5 GFBDHN O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823639826 599432379 /nfs/dbraw/zinc/43/23/79/599432379.db2.gz HZIHAQBOQSNZJF-UHFFFAOYSA-N 0 3 379.424 2.983 20 5 GFBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736352 /nfs/dbraw/zinc/73/63/52/607736352.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 0 3 396.455 2.855 20 5 GFBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736353 /nfs/dbraw/zinc/73/63/53/607736353.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 0 3 396.455 2.855 20 5 GFBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736354 /nfs/dbraw/zinc/73/63/54/607736354.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 0 3 396.455 2.855 20 5 GFBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736355 /nfs/dbraw/zinc/73/63/55/607736355.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 0 3 396.455 2.855 20 5 GFBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618899 606043873 /nfs/dbraw/zinc/04/38/73/606043873.db2.gz ADYPIVHLSOPGFG-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618899 606043879 /nfs/dbraw/zinc/04/38/79/606043879.db2.gz ADYPIVHLSOPGFG-QGZVFWFLSA-N 0 3 393.451 2.876 20 5 GFBDHN Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822304142 607114647 /nfs/dbraw/zinc/11/46/47/607114647.db2.gz QSDYZSJPFNPDQB-UHFFFAOYSA-N 0 3 381.440 2.652 20 5 GFBDHN Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822304142 607114648 /nfs/dbraw/zinc/11/46/48/607114648.db2.gz QSDYZSJPFNPDQB-UHFFFAOYSA-N 0 3 381.440 2.652 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826272664 608491329 /nfs/dbraw/zinc/49/13/29/608491329.db2.gz VSIAJQCRIMBUIB-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826272664 608491330 /nfs/dbraw/zinc/49/13/30/608491330.db2.gz VSIAJQCRIMBUIB-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000129566929 654867572 /nfs/dbraw/zinc/86/75/72/654867572.db2.gz BBLJOJYAZSGKAK-UHFFFAOYSA-N 0 3 375.878 2.519 20 5 GFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471263 655113846 /nfs/dbraw/zinc/11/38/46/655113846.db2.gz RWIPDDRJBPBJMI-HZMBPMFUSA-N 0 3 383.246 2.915 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000574804312 655431054 /nfs/dbraw/zinc/43/10/54/655431054.db2.gz YIGNSGNCGUQIQJ-GFCCVEGCSA-N 0 3 397.225 2.592 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000805112890 659742076 /nfs/dbraw/zinc/74/20/76/659742076.db2.gz FIDRGKADEZDKOZ-GXTWGEPZSA-N 0 3 387.889 2.804 20 5 GFBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813106739 660043908 /nfs/dbraw/zinc/04/39/08/660043908.db2.gz HGCHPPKLNSDTAR-LLVKDONJSA-N 0 3 399.241 2.510 20 5 GFBDHN CC(COC(=O)c1ccc2cc(I)ccc2n1)[N+](=O)[O-] ZINC000813109161 660044398 /nfs/dbraw/zinc/04/43/98/660044398.db2.gz OQZLUSRDNKWGEK-MRVPVSSYSA-N 0 3 386.145 2.661 20 5 GFBDHN Cc1sc2nc(CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000813113413 660044578 /nfs/dbraw/zinc/04/45/78/660044578.db2.gz DJDNAWYGMBVHMM-OIBJUYFYSA-N 0 3 385.467 2.844 20 5 GFBDHN CN1CCN(CCCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813408634 660053558 /nfs/dbraw/zinc/05/35/58/660053558.db2.gz APMJHDYJKDNLEL-UHFFFAOYSA-N 0 3 389.283 2.659 20 5 GFBDHN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013716 660101463 /nfs/dbraw/zinc/10/14/63/660101463.db2.gz XVBLVQLMEZGRNY-SNVBAGLBSA-N 0 3 379.841 2.540 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000815065453 660108715 /nfs/dbraw/zinc/10/87/15/660108715.db2.gz DHEBLXPLYGPKCJ-MRXNPFEDSA-N 0 3 387.889 2.663 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(Br)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883302 661503719 /nfs/dbraw/zinc/50/37/19/661503719.db2.gz RRERVOASMPYWAE-ISVAXAHUSA-N 0 3 386.177 2.885 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848508118 661658190 /nfs/dbraw/zinc/65/81/90/661658190.db2.gz HTQZZODFDTWYBR-QWHCGFSZSA-N 0 3 391.852 2.683 20 5 GFBDHN C[C@](CO)(NC[C@@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271968 662922149 /nfs/dbraw/zinc/92/21/49/662922149.db2.gz JQKXRZGZAMKEDD-IAGOWNOFSA-N 0 3 395.253 2.888 20 5 GFBDHN C[C@@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497550 664909126 /nfs/dbraw/zinc/90/91/26/664909126.db2.gz VTRDJFIABNNTHK-IRXDYDNUSA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721787 720374278 /nfs/dbraw/zinc/37/42/78/720374278.db2.gz BAPLPAKWXOVEEU-RTBURBONSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccccc2Br)c1 ZINC000131032078 551371322 /nfs/dbraw/zinc/37/13/22/551371322.db2.gz IIPZQRZDJLCARS-CQSZACIVSA-N 0 3 381.226 2.887 20 5 GFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085736 551624257 /nfs/dbraw/zinc/62/42/57/551624257.db2.gz FGXBNTFMBSMNRF-BXUZGUMPSA-N 0 3 382.258 2.914 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899242 553115002 /nfs/dbraw/zinc/11/50/02/553115002.db2.gz JQMLCXAPBCMVLY-XHDPSFHLSA-N 0 3 382.258 2.914 20 5 GFBDHN CN1CCN(CC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000263751820 553193008 /nfs/dbraw/zinc/19/30/08/553193008.db2.gz PCAUHJAVKGWPBG-UHFFFAOYSA-N 0 3 397.317 2.821 20 5 GFBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410447 563420631 /nfs/dbraw/zinc/42/06/31/563420631.db2.gz XGGKZSDSGQYZIF-MRXNPFEDSA-N 0 3 397.317 2.569 20 5 GFBDHN C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376212753 563433500 /nfs/dbraw/zinc/43/35/00/563433500.db2.gz VTCWCCRVPDWGFW-DZGCQCFKSA-N 0 3 397.317 2.820 20 5 GFBDHN CN1CCC[C@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358101 563503891 /nfs/dbraw/zinc/50/38/91/563503891.db2.gz YDHHVNXGHNVBGC-HNNXBMFYSA-N 0 3 397.317 2.569 20 5 GFBDHN CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOCC1 ZINC000289571002 563679642 /nfs/dbraw/zinc/67/96/42/563679642.db2.gz RWUXWXDKWVLPNY-UHFFFAOYSA-N 0 3 376.194 2.858 20 5 GFBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805948 563721934 /nfs/dbraw/zinc/72/19/34/563721934.db2.gz RUIYODSOSFJOLP-JOYOIKCWSA-N 0 3 396.296 2.862 20 5 GFBDHN CN1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291691962 563754199 /nfs/dbraw/zinc/75/41/99/563754199.db2.gz OFOBWUSVBOSATF-UHFFFAOYSA-N 0 3 389.283 2.657 20 5 GFBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000452177535 564397772 /nfs/dbraw/zinc/39/77/72/564397772.db2.gz XQJMVIPHUKMESZ-GFCCVEGCSA-N 0 3 396.285 2.843 20 5 GFBDHN CC[C@H](C)N(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946261 564779035 /nfs/dbraw/zinc/77/90/35/564779035.db2.gz IEBWGLHWXRKDRF-JTQLQIEISA-N 0 3 378.210 2.792 20 5 GFBDHN CC(C)N(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000562033615 565016316 /nfs/dbraw/zinc/01/63/16/565016316.db2.gz DEFKHTUXBRLFFY-SNVBAGLBSA-N 0 3 378.210 2.791 20 5 GFBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000599985273 565709247 /nfs/dbraw/zinc/70/92/47/565709247.db2.gz BIWHPHIAFJLMDH-UHFFFAOYSA-N 0 3 384.274 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225545 607013671 /nfs/dbraw/zinc/01/36/71/607013671.db2.gz KTZXWABDHWQIDP-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225545 607013672 /nfs/dbraw/zinc/01/36/72/607013672.db2.gz KTZXWABDHWQIDP-STQMWFEESA-N 0 3 395.423 2.843 20 5 GFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCCO)o2)c(Br)c1 ZINC000093324002 655018245 /nfs/dbraw/zinc/01/82/45/655018245.db2.gz SDXBZAFDQXJEIB-UHFFFAOYSA-N 0 3 399.241 2.794 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273399542 655141995 /nfs/dbraw/zinc/14/19/95/655141995.db2.gz GISYDBZCWXGAFO-GFCCVEGCSA-N 0 3 389.905 2.907 20 5 GFBDHN CN(C)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000276940035 655294233 /nfs/dbraw/zinc/29/42/33/655294233.db2.gz AOJSJMVTMQNNKK-LLVKDONJSA-N 0 3 377.413 2.512 20 5 GFBDHN CN(C)C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000731967444 655590267 /nfs/dbraw/zinc/59/02/67/655590267.db2.gz GOHXDMQHIUGFBJ-UHFFFAOYSA-N 0 3 377.413 2.877 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077250 657101016 /nfs/dbraw/zinc/10/10/16/657101016.db2.gz DBMPNCDDOZCFDR-CVEARBPZSA-N 0 3 381.226 2.714 20 5 GFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727393 662038963 /nfs/dbraw/zinc/03/89/63/662038963.db2.gz LXQXYAJQVFLYQU-CQSZACIVSA-N 0 3 399.289 2.712 20 5 GFBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806670 662577739 /nfs/dbraw/zinc/57/77/39/662577739.db2.gz HJLURSCTWVCTKR-KOLCDFICSA-N 0 3 394.280 2.616 20 5 GFBDHN O=[N+]([O-])c1ncccc1CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000886297438 663107775 /nfs/dbraw/zinc/10/77/75/663107775.db2.gz RHZIVEZJOGPNSM-KRWDZBQOSA-N 0 3 392.253 2.762 20 5 GFBDHN Cn1cc(CN2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763231 721183811 /nfs/dbraw/zinc/18/38/11/721183811.db2.gz DUEDFZDBPZUBJK-ROUUACIJSA-N 0 3 392.463 2.835 20 5 GFBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009695 551465602 /nfs/dbraw/zinc/46/56/02/551465602.db2.gz HXLRURUZLWQVHE-CQSZACIVSA-N 0 3 384.274 2.890 20 5 GFBDHN C[C@@H]1CCCN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569555 552196732 /nfs/dbraw/zinc/19/67/32/552196732.db2.gz QBZLJLVFGHSOKV-GFCCVEGCSA-N 0 3 375.516 2.984 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728174 552318069 /nfs/dbraw/zinc/31/80/69/552318069.db2.gz GJPAXFJOENSPDA-OLZOCXBDSA-N 0 3 389.905 2.907 20 5 GFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CCN1C ZINC000277946422 563233645 /nfs/dbraw/zinc/23/36/45/563233645.db2.gz JGIHNSBOMOUFKN-IUCAKERBSA-N 0 3 376.276 2.974 20 5 GFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CCN1C ZINC000277946412 563233656 /nfs/dbraw/zinc/23/36/56/563233656.db2.gz JGIHNSBOMOUFKN-BDAKNGLRSA-N 0 3 376.276 2.974 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000284294319 563469474 /nfs/dbraw/zinc/46/94/74/563469474.db2.gz IYTNAOOATCCKNW-NEPJUHHUSA-N 0 3 382.258 2.974 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000408100144 563544867 /nfs/dbraw/zinc/54/48/67/563544867.db2.gz QJTITMKPXRUHNS-CQSZACIVSA-N 0 3 387.889 2.887 20 5 GFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000331356652 563547097 /nfs/dbraw/zinc/54/70/97/563547097.db2.gz SENCRHBRBNHWRS-TXEJJXNPSA-N 0 3 399.289 2.710 20 5 GFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000292741996 563794140 /nfs/dbraw/zinc/79/41/40/563794140.db2.gz HJBYKSZSRKQYEP-MRXNPFEDSA-N 0 3 387.889 2.663 20 5 GFBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378454 563840332 /nfs/dbraw/zinc/84/03/32/563840332.db2.gz ZVWFUNKZVFALCV-INIZCTEOSA-N 0 3 382.258 2.915 20 5 GFBDHN CC(C)[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516606386 564507044 /nfs/dbraw/zinc/50/70/44/564507044.db2.gz KBXUEGKXHSVAHQ-ZDUSSCGKSA-N 0 3 378.210 2.696 20 5 GFBDHN Cc1cc(Cl)cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000559251279 564927689 /nfs/dbraw/zinc/92/76/89/564927689.db2.gz RLXKWTWLJSJIFN-UHFFFAOYSA-N 0 3 383.857 2.625 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000584543631 565086741 /nfs/dbraw/zinc/08/67/41/565086741.db2.gz SLHHHULFKYLXTN-GFCCVEGCSA-N 0 3 382.258 2.974 20 5 GFBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821597675 599107779 /nfs/dbraw/zinc/10/77/79/599107779.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821597675 599107781 /nfs/dbraw/zinc/10/77/81/599107781.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821597675 599107785 /nfs/dbraw/zinc/10/77/85/599107785.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821597675 599107787 /nfs/dbraw/zinc/10/77/87/599107787.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 0 3 393.451 2.733 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272336 608468259 /nfs/dbraw/zinc/46/82/59/608468259.db2.gz DUUQQXJLUFGLET-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272336 608468260 /nfs/dbraw/zinc/46/82/60/608468260.db2.gz DUUQQXJLUFGLET-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826272665 608491281 /nfs/dbraw/zinc/49/12/81/608491281.db2.gz VSIAJQCRIMBUIB-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826272665 608491282 /nfs/dbraw/zinc/49/12/82/608491282.db2.gz VSIAJQCRIMBUIB-ZDUSSCGKSA-N 0 3 395.423 2.763 20 5 GFBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(Br)s2)cc1 ZINC000125547859 654797502 /nfs/dbraw/zinc/79/75/02/654797502.db2.gz SXVXDOCGZLULPE-TZMCWYRMSA-N 0 3 387.255 2.603 20 5 GFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1 ZINC000273566651 655148507 /nfs/dbraw/zinc/14/85/07/655148507.db2.gz YLXIRDCTERWGEZ-CVEARBPZSA-N 0 3 381.523 2.969 20 5 GFBDHN CNC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000114215938 655218458 /nfs/dbraw/zinc/21/84/58/655218458.db2.gz FDOFEEFTBNIUSI-UHFFFAOYSA-N 0 3 382.214 2.843 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723515 655253564 /nfs/dbraw/zinc/25/35/64/655253564.db2.gz OVTQSXJXBSMVEW-TZMCWYRMSA-N 0 3 389.905 2.907 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[NH+]2CCCCCC2)cc1Cl ZINC000809806640 659939904 /nfs/dbraw/zinc/93/99/04/659939904.db2.gz DCWGOTIBWMWNJH-UHFFFAOYSA-N 0 3 379.841 2.542 20 5 GFBDHN CC([C@H](OC(=O)c1cnn(C)c1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845874297 661502548 /nfs/dbraw/zinc/50/25/48/661502548.db2.gz GZAJZCNPAMKATQ-PELKAZGASA-N 0 3 386.177 2.885 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848508119 661658460 /nfs/dbraw/zinc/65/84/60/661658460.db2.gz HTQZZODFDTWYBR-STQMWFEESA-N 0 3 391.852 2.683 20 5 GFBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806668 662577717 /nfs/dbraw/zinc/57/77/17/662577717.db2.gz HJLURSCTWVCTKR-GXSJLCMTSA-N 0 3 394.280 2.616 20 5 GFBDHN CC(C)N1CCN(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000908075041 664081519 /nfs/dbraw/zinc/08/15/19/664081519.db2.gz GJSVTRBOGCAHJF-UHFFFAOYSA-N 0 3 399.289 2.712 20 5 GFBDHN O=C(OCc1cccc([N+](=O)[O-])c1Br)C1CCCN(C2CC2)C1=O ZINC000924055061 664645800 /nfs/dbraw/zinc/64/58/00/664645800.db2.gz WKFHXTGTNBMCKD-GFCCVEGCSA-N 0 3 397.225 2.802 20 5 GFBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)cnc2c1 ZINC001164722166 720351647 /nfs/dbraw/zinc/35/16/47/720351647.db2.gz FGXZCHJCBDSRQX-RTBURBONSA-N 0 3 376.420 2.786 20 5 GFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729055 720372519 /nfs/dbraw/zinc/37/25/19/720372519.db2.gz UWIUFSADPWETHU-RTBURBONSA-N 0 3 376.420 2.786 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122399847 551297512 /nfs/dbraw/zinc/29/75/12/551297512.db2.gz HBZAUZNCFMGFML-TZMCWYRMSA-N 0 3 387.889 2.661 20 5 GFBDHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000151793884 551421313 /nfs/dbraw/zinc/42/13/13/551421313.db2.gz TUJIXROLEQYXAV-UHFFFAOYSA-N 0 3 375.878 2.647 20 5 GFBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009804 551465417 /nfs/dbraw/zinc/46/54/17/551465417.db2.gz HXLRURUZLWQVHE-AWEZNQCLSA-N 0 3 384.274 2.890 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263245 552081632 /nfs/dbraw/zinc/08/16/32/552081632.db2.gz MCMJQCIIGFPDAZ-YPMHNXCESA-N 0 3 375.878 2.599 20 5 GFBDHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702714 552157183 /nfs/dbraw/zinc/15/71/83/552157183.db2.gz WOCJNHIEMQPIQW-CYBMUJFWSA-N 0 3 399.289 2.712 20 5 GFBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000179844088 552204939 /nfs/dbraw/zinc/20/49/39/552204939.db2.gz AMZYNEJRCBQFHO-SNVBAGLBSA-N 0 3 386.246 2.701 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103204 553102372 /nfs/dbraw/zinc/10/23/72/553102372.db2.gz HPBPPBHJEXYSIB-YGRLFVJLSA-N 0 3 375.878 2.517 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247101207 553119100 /nfs/dbraw/zinc/11/91/00/553119100.db2.gz QAUUARFCVBDKAR-SWLSCSKDSA-N 0 3 387.889 2.661 20 5 GFBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710495 563792766 /nfs/dbraw/zinc/79/27/66/563792766.db2.gz ZGGJPZVZSNVCOD-PELKAZGASA-N 0 3 387.234 2.592 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000542691574 564320522 /nfs/dbraw/zinc/32/05/22/564320522.db2.gz RHNHGJQKGDYCBV-UHFFFAOYSA-N 0 3 375.878 2.663 20 5 GFBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452011486 564381585 /nfs/dbraw/zinc/38/15/85/564381585.db2.gz GSLOMZHXKMHUEX-ZIAGYGMSSA-N 0 3 386.246 2.843 20 5 GFBDHN C[C@H]1CC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622018 564460074 /nfs/dbraw/zinc/46/00/74/564460074.db2.gz ANZDOOWGKLYPEB-TVQRCGJNSA-N 0 3 376.194 2.857 20 5 GFBDHN C[C@@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000516516822 564504132 /nfs/dbraw/zinc/50/41/32/564504132.db2.gz YWHRDRROMBSMFN-ZDUSSCGKSA-N 0 3 376.194 2.858 20 5 GFBDHN CN1CC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395626 564552713 /nfs/dbraw/zinc/55/27/13/564552713.db2.gz BMISMYFUIPDHGP-HNNXBMFYSA-N 0 3 383.246 2.917 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Br)cc1 ZINC000574565097 564678899 /nfs/dbraw/zinc/67/88/99/564678899.db2.gz HJLSDJHLRLSEDD-CQSZACIVSA-N 0 3 381.226 2.887 20 5 GFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Br)s1 ZINC000574551369 564679014 /nfs/dbraw/zinc/67/90/14/564679014.db2.gz KUENFGMZKHWFDR-SNVBAGLBSA-N 0 3 387.255 2.948 20 5 GFBDHN CO[C@@H]1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890450 564753267 /nfs/dbraw/zinc/75/32/67/564753267.db2.gz UXRCFTZGZJNVCV-DGCLKSJQSA-N 0 3 376.194 2.857 20 5 GFBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749211 564759990 /nfs/dbraw/zinc/75/99/90/564759990.db2.gz GZKOGXRYNIBHAA-KGLIPLIRSA-N 0 3 398.257 2.843 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H](CO)CC2CCC2)c1 ZINC000580643322 564767467 /nfs/dbraw/zinc/76/74/67/564767467.db2.gz DIOHKAKPHFFEGZ-CYBMUJFWSA-N 0 3 390.221 2.840 20 5 GFBDHN O=[N+]([O-])c1cc2c(cc1CNCCCn1cc(Br)cn1)OCCO2 ZINC000588931925 565145701 /nfs/dbraw/zinc/14/57/01/565145701.db2.gz MSHBBHBYLLEIKU-UHFFFAOYSA-N 0 3 397.229 2.505 20 5 GFBDHN CS(=O)(=O)CC1(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594950945 565437073 /nfs/dbraw/zinc/43/70/73/565437073.db2.gz LORBLYFCNIJQAR-UHFFFAOYSA-N 0 3 378.397 2.501 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCO[C@H]2CC2(F)F)c1 ZINC000594971331 565438822 /nfs/dbraw/zinc/43/88/22/565438822.db2.gz FCFBFVQUGGMMQB-NSHDSACASA-N 0 3 398.147 2.713 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267830 598869949 /nfs/dbraw/zinc/86/99/49/598869949.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267830 598869950 /nfs/dbraw/zinc/86/99/50/598869950.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267830 598869952 /nfs/dbraw/zinc/86/99/52/598869952.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267830 598869953 /nfs/dbraw/zinc/86/99/53/598869953.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 0 3 385.472 2.866 20 5 GFBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821597674 599106919 /nfs/dbraw/zinc/10/69/19/599106919.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821597674 599106922 /nfs/dbraw/zinc/10/69/22/599106922.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821597674 599106924 /nfs/dbraw/zinc/10/69/24/599106924.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821597674 599106928 /nfs/dbraw/zinc/10/69/28/599106928.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 0 3 393.451 2.733 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477912 /nfs/dbraw/zinc/47/79/12/599477912.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477914 /nfs/dbraw/zinc/47/79/14/599477914.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477916 /nfs/dbraw/zinc/47/79/16/599477916.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 0 3 396.455 2.855 20 5 GFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477918 /nfs/dbraw/zinc/47/79/18/599477918.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 0 3 396.455 2.855 20 5 GFBDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820120813 606857184 /nfs/dbraw/zinc/85/71/84/606857184.db2.gz KDHJYMBUZQAILD-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820120813 606857185 /nfs/dbraw/zinc/85/71/85/606857185.db2.gz KDHJYMBUZQAILD-SFHVURJKSA-N 0 3 382.424 2.719 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000823639871 606998661 /nfs/dbraw/zinc/99/86/61/606998661.db2.gz KCNPUVIFQTWJKW-UHFFFAOYSA-N 0 3 379.424 2.534 20 5 GFBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823639871 606998663 /nfs/dbraw/zinc/99/86/63/606998663.db2.gz KCNPUVIFQTWJKW-UHFFFAOYSA-N 0 3 379.424 2.534 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820226339 607085418 /nfs/dbraw/zinc/08/54/18/607085418.db2.gz UXUNWSASSRESTD-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820226339 607085420 /nfs/dbraw/zinc/08/54/20/607085420.db2.gz UXUNWSASSRESTD-OLZOCXBDSA-N 0 3 395.423 2.843 20 5 GFBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707822 655124212 /nfs/dbraw/zinc/12/42/12/655124212.db2.gz SEORVQHERGNKTE-CYBMUJFWSA-N 0 3 387.889 2.887 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000770428116 656319003 /nfs/dbraw/zinc/31/90/03/656319003.db2.gz TUIZUIKPQWJHAT-UHFFFAOYSA-N 0 3 387.889 2.709 20 5 GFBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N(C)C ZINC000776002102 656701897 /nfs/dbraw/zinc/70/18/97/656701897.db2.gz SBZOHUCHWLUFBR-WKPIXPDZSA-N 0 3 386.905 2.553 20 5 GFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000782082417 657101663 /nfs/dbraw/zinc/10/16/63/657101663.db2.gz DJFULGDGYNUSTP-HZPDHXFCSA-N 0 3 381.226 2.714 20 5 GFBDHN CC(COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[N+](=O)[O-] ZINC000813105804 660043915 /nfs/dbraw/zinc/04/39/15/660043915.db2.gz UUCMOVNZXVPGDK-YGRLFVJLSA-N 0 3 377.224 2.575 20 5 GFBDHN CC(COC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[N+](=O)[O-] ZINC000813107201 660043936 /nfs/dbraw/zinc/04/39/36/660043936.db2.gz MMKHEPLETRFQED-VIFPVBQESA-N 0 3 395.213 2.729 20 5 GFBDHN CC([C@H](OC(=O)c1nn(C)cc1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845876333 661503037 /nfs/dbraw/zinc/50/30/37/661503037.db2.gz CFHKDEBBACKCRU-SDBXPKJASA-N 0 3 386.177 2.885 20 5 GFBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874833452 662837815 /nfs/dbraw/zinc/83/78/15/662837815.db2.gz NBGVBAMHFFSCFH-KGLIPLIRSA-N 0 3 382.258 2.974 20 5 GFBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664523 662935171 /nfs/dbraw/zinc/93/51/71/662935171.db2.gz ZYIYRAZOAIYGRS-CQSZACIVSA-N 0 3 383.246 2.840 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2SC(F)(F)F)c1 ZINC000905698030 663887170 /nfs/dbraw/zinc/88/71/70/663887170.db2.gz DZMNKJONFCFBQU-GFCCVEGCSA-N 0 3 376.360 2.554 20 5 GFBDHN C[C@@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497552 664909487 /nfs/dbraw/zinc/90/94/87/664909487.db2.gz VTRDJFIABNNTHK-SJORKVTESA-N 0 3 395.253 2.888 20 5 GFBDHN O=[N+]([O-])c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905804 721546239 /nfs/dbraw/zinc/54/62/39/721546239.db2.gz IJYHREVXUPKYJE-ZBFHGGJFSA-N 0 3 397.410 2.952 20 5 GFBDHN CN(CCNC/C=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000158271271 551549681 /nfs/dbraw/zinc/54/96/81/551549681.db2.gz ATCLPZBOJNQMCM-QPJJXVBHSA-N 0 3 381.479 2.580 20 5 GFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000180939971 552240556 /nfs/dbraw/zinc/24/05/56/552240556.db2.gz IMFFPZRTLALYCI-GFCCVEGCSA-N 0 3 383.495 2.902 20 5 GFBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])cc1Br ZINC000188670822 552451433 /nfs/dbraw/zinc/45/14/33/552451433.db2.gz QFGIVCGSXMBANT-UHFFFAOYSA-N 0 3 376.210 2.891 20 5 GFBDHN CCC[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761268 564248154 /nfs/dbraw/zinc/24/81/54/564248154.db2.gz VIMREGXVWXZIFH-ZDUSSCGKSA-N 0 3 378.210 2.840 20 5 GFBDHN CN(C)[C@@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCSC1 ZINC000295125328 563230214 /nfs/dbraw/zinc/23/02/14/563230214.db2.gz HMJBXUVGYUBSLI-CQSZACIVSA-N 0 3 377.388 2.781 20 5 GFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000374315744 563368159 /nfs/dbraw/zinc/36/81/59/563368159.db2.gz ZJEVFWHUBRQCJW-CJNGLKHVSA-N 0 3 397.317 2.820 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375029002 563387819 /nfs/dbraw/zinc/38/78/19/563387819.db2.gz AFKAJENXJSBGSC-NHYWBVRUSA-N 0 3 382.258 2.832 20 5 GFBDHN CCN1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425480078 563424377 /nfs/dbraw/zinc/42/43/77/563424377.db2.gz OUJNOEHBORJQJB-JKSUJKDBSA-N 0 3 384.274 2.652 20 5 GFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327693425 563459130 /nfs/dbraw/zinc/45/91/30/563459130.db2.gz KPMLGFAQDJWTQY-UHFFFAOYSA-N 0 3 375.466 2.722 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000285538960 563525894 /nfs/dbraw/zinc/52/58/94/563525894.db2.gz HUPVPQXJWQMBGL-IAQYHMDHSA-N 0 3 382.258 2.832 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332103490 563576106 /nfs/dbraw/zinc/57/61/06/563576106.db2.gz ZAQAZGHVGLPCHJ-WFASDCNBSA-N 0 3 387.889 2.804 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CCCCC2)C1 ZINC000332649422 563609544 /nfs/dbraw/zinc/60/95/44/563609544.db2.gz LDYTXTBHFRAURA-HNNXBMFYSA-N 0 3 396.285 2.987 20 5 GFBDHN CN(CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000289565276 563678689 /nfs/dbraw/zinc/67/86/89/563678689.db2.gz JFRDOCXCKOCKLH-UHFFFAOYSA-N 0 3 382.214 2.925 20 5 GFBDHN C[C@@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000564416872 564233295 /nfs/dbraw/zinc/23/32/95/564233295.db2.gz IXEMAVBKDPAYOC-ZDUSSCGKSA-N 0 3 376.194 2.716 20 5 GFBDHN C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000541386406 564276695 /nfs/dbraw/zinc/27/66/95/564276695.db2.gz JXZDARDDHPTYAF-GFCCVEGCSA-N 0 3 375.878 2.791 20 5 GFBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C2CC2)C1 ZINC000475836011 564322244 /nfs/dbraw/zinc/32/22/44/564322244.db2.gz NNZKBYMIAUIZGD-AWEZNQCLSA-N 0 3 382.258 2.595 20 5 GFBDHN C[C@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000516516820 564504399 /nfs/dbraw/zinc/50/43/99/564504399.db2.gz YWHRDRROMBSMFN-CYBMUJFWSA-N 0 3 376.194 2.858 20 5 GFBDHN COC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000519613998 564583184 /nfs/dbraw/zinc/58/31/84/564583184.db2.gz PMAGNCHBKLRWRL-UHFFFAOYSA-N 0 3 376.194 2.858 20 5 GFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236451 564800912 /nfs/dbraw/zinc/80/09/12/564800912.db2.gz GXWZVXUVYIRFKI-HNNXBMFYSA-N 0 3 399.289 2.712 20 5 GFBDHN COC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000558460289 564901639 /nfs/dbraw/zinc/90/16/39/564901639.db2.gz ULIJQENHSMYVFX-CYBMUJFWSA-N 0 3 376.194 2.714 20 5 GFBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000498871466 564911616 /nfs/dbraw/zinc/91/16/16/564911616.db2.gz CZPWOAUHJDGLJL-NSHDSACASA-N 0 3 375.878 2.599 20 5 GFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1cccs1 ZINC000468607325 564987726 /nfs/dbraw/zinc/98/77/26/564987726.db2.gz CDVMLICNZSGMJP-JLHYYAGUSA-N 0 3 381.479 2.628 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCC(OC(F)F)CC2)cc1 ZINC000591770617 565238444 /nfs/dbraw/zinc/23/84/44/565238444.db2.gz SYDLQKITTBVCLU-UHFFFAOYSA-N 0 3 378.397 2.509 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410389 565474421 /nfs/dbraw/zinc/47/44/21/565474421.db2.gz LCHYIIOLTVFFQJ-CYBMUJFWSA-N 0 3 387.889 2.649 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410389 565474428 /nfs/dbraw/zinc/47/44/28/565474428.db2.gz LCHYIIOLTVFFQJ-CYBMUJFWSA-N 0 3 387.889 2.649 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599009889 565653577 /nfs/dbraw/zinc/65/35/77/565653577.db2.gz NXZZVQXVLKWJRG-TZMCWYRMSA-N 0 3 388.205 2.857 20 5 GFBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422758 565782791 /nfs/dbraw/zinc/78/27/91/565782791.db2.gz YGLOOQWZIUTDQJ-GZMMTYOYSA-N 0 3 382.269 2.615 20 5 GFBDHN O=[N+]([O-])c1sc(CNC2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000602718699 565864806 /nfs/dbraw/zinc/86/48/06/565864806.db2.gz QCZVNIUSFJAILM-LLVKDONJSA-N 0 3 390.303 2.762 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870024 /nfs/dbraw/zinc/87/00/24/598870024.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870025 /nfs/dbraw/zinc/87/00/25/598870025.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870026 /nfs/dbraw/zinc/87/00/26/598870026.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870027 /nfs/dbraw/zinc/87/00/27/598870027.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 0 3 385.472 2.866 20 5 GFBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290964 598976651 /nfs/dbraw/zinc/97/66/51/598976651.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290964 598976652 /nfs/dbraw/zinc/97/66/52/598976652.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290964 598976653 /nfs/dbraw/zinc/97/66/53/598976653.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290964 598976654 /nfs/dbraw/zinc/97/66/54/598976654.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 0 3 393.451 2.876 20 5 GFBDHN CC(C)[NH+](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000735861256 599254114 /nfs/dbraw/zinc/25/41/14/599254114.db2.gz VNPLVGQNFJKIEL-UHFFFAOYSA-N 0 3 384.444 2.854 20 5 GFBDHN CC(C)[NH+](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000735861256 599254117 /nfs/dbraw/zinc/25/41/17/599254117.db2.gz VNPLVGQNFJKIEL-UHFFFAOYSA-N 0 3 384.444 2.854 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258380 /nfs/dbraw/zinc/25/83/80/599258380.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@H]1CCCC[N@H+]1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258382 /nfs/dbraw/zinc/25/83/82/599258382.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258384 /nfs/dbraw/zinc/25/83/84/599258384.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN C[C@H]1CCCC[N@H+]1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258386 /nfs/dbraw/zinc/25/83/86/599258386.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 0 3 396.455 3.000 20 5 GFBDHN O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823651509 599323411 /nfs/dbraw/zinc/32/34/11/599323411.db2.gz MREYEECVOYPRSU-UHFFFAOYSA-N 0 3 394.439 2.768 20 5 GFBDHN O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823651509 599323414 /nfs/dbraw/zinc/32/34/14/599323414.db2.gz MREYEECVOYPRSU-UHFFFAOYSA-N 0 3 394.439 2.768 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000826500960 608800348 /nfs/dbraw/zinc/80/03/48/608800348.db2.gz SYGRVXIDOQOCHM-UHFFFAOYSA-N 0 3 380.412 2.552 20 5 GFBDHN O=[N+]([O-])c1cnc(Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000826500960 608800350 /nfs/dbraw/zinc/80/03/50/608800350.db2.gz SYGRVXIDOQOCHM-UHFFFAOYSA-N 0 3 380.412 2.552 20 5 GFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262504 660252540 /nfs/dbraw/zinc/25/25/40/660252540.db2.gz NHFAFULOJRDGPF-MFKMUULPSA-N 0 3 387.223 2.572 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000129077331 654855841 /nfs/dbraw/zinc/85/58/41/654855841.db2.gz MCCPMQUZFCFCMM-TZMCWYRMSA-N 0 3 387.889 2.661 20 5 GFBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000129471284 654863656 /nfs/dbraw/zinc/86/36/56/654863656.db2.gz SDHCWUVKRACXKQ-UHFFFAOYSA-N 0 3 375.878 2.709 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101574354 655044658 /nfs/dbraw/zinc/04/46/58/655044658.db2.gz GTGMPBQDZSOUPW-UHFFFAOYSA-N 0 3 375.878 2.743 20 5 GFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173262991 655165690 /nfs/dbraw/zinc/16/56/90/655165690.db2.gz DKDQKBIQBWZFTF-YPMHNXCESA-N 0 3 375.878 2.599 20 5 GFBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000113354473 655208269 /nfs/dbraw/zinc/20/82/69/655208269.db2.gz QLMHPABWHXKWKC-UHFFFAOYSA-N 0 3 378.226 2.877 20 5 GFBDHN C[C@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636904 655870569 /nfs/dbraw/zinc/87/05/69/655870569.db2.gz SBACSZMXYJEYHX-JTQLQIEISA-N 0 3 388.237 2.958 20 5 GFBDHN CC1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754633165 655870591 /nfs/dbraw/zinc/87/05/91/655870591.db2.gz UJNNBKFMMPJDLA-UHFFFAOYSA-N 0 3 388.237 2.958 20 5 GFBDHN C[C@@H]1CCCN(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390809 659925793 /nfs/dbraw/zinc/92/57/93/659925793.db2.gz INILBVQIVOPCDO-SNVBAGLBSA-N 0 3 396.296 2.912 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000809809782 659940712 /nfs/dbraw/zinc/94/07/12/659940712.db2.gz ZQYPKTRBVVREPJ-JTQLQIEISA-N 0 3 396.296 2.912 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000814990024 660100385 /nfs/dbraw/zinc/10/03/85/660100385.db2.gz YEVTWDZADIMCFK-QWRGUYRKSA-N 0 3 393.868 2.929 20 5 GFBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000814990024 660100386 /nfs/dbraw/zinc/10/03/86/660100386.db2.gz YEVTWDZADIMCFK-QWRGUYRKSA-N 0 3 393.868 2.929 20 5 GFBDHN CC(COC(=O)Cc1ccc(Br)c(Br)c1)[N+](=O)[O-] ZINC000851036363 661803359 /nfs/dbraw/zinc/80/33/59/661803359.db2.gz IFSMJZQFXHWHBA-ZETCQYMHSA-N 0 3 381.020 2.963 20 5 GFBDHN CN1CCN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213949 662464617 /nfs/dbraw/zinc/46/46/17/662464617.db2.gz DOKBOIJBCXVHGK-UHFFFAOYSA-N 0 3 383.290 2.574 20 5 GFBDHN COC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664522 662935067 /nfs/dbraw/zinc/93/50/67/662935067.db2.gz ZYIYRAZOAIYGRS-AWEZNQCLSA-N 0 3 383.246 2.840 20 5 GFBDHN CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000889726746 663261338 /nfs/dbraw/zinc/26/13/38/663261338.db2.gz UVORQEHNRXDPJO-CQSZACIVSA-N 0 3 397.273 2.735 20 5 GFBDHN O=[N+]([O-])c1ccc(CCNCc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894241968 663450346 /nfs/dbraw/zinc/45/03/46/663450346.db2.gz PWOYNYXDRKGZFI-UHFFFAOYSA-N 0 3 382.873 2.874 20 5 GFBDHN CC[C@@H](CN1CCOCC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000896618176 663568040 /nfs/dbraw/zinc/56/80/40/663568040.db2.gz NGELCKXCSVPQOZ-JTQLQIEISA-N 0 3 378.292 2.619 20 5 GFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572628 664829145 /nfs/dbraw/zinc/82/91/45/664829145.db2.gz QAZXPIHOEBNOTO-LDYMZIIASA-N 0 3 377.203 2.949 20 5 GFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c21 ZINC001164726194 720471484 /nfs/dbraw/zinc/47/14/84/720471484.db2.gz KQBFAENIGMBVGN-IRXDYDNUSA-N 0 3 376.420 2.786 20 5 GFBDHN Cn1cc(CN2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761878 721242700 /nfs/dbraw/zinc/24/27/00/721242700.db2.gz JRUBCWSMFKXZFJ-MSOLQXFVSA-N 0 3 392.463 2.835 20 5 GFBDHN Cc1sc(S(=O)(=O)[N-]C2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000123390059 551306171 /nfs/dbraw/zinc/30/61/71/551306171.db2.gz MJIFSMFLSNCCTL-UHFFFAOYSA-N 0 3 387.527 2.898 20 5 GFBDHN CN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000130437479 551364797 /nfs/dbraw/zinc/36/47/97/551364797.db2.gz LHIXLUSPGVOUMA-UHFFFAOYSA-N 0 3 376.638 2.835 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255784 552081263 /nfs/dbraw/zinc/08/12/63/552081263.db2.gz NLZCDYLQYYRBJR-DGCLKSJQSA-N 0 3 375.878 2.599 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868725 563274196 /nfs/dbraw/zinc/27/41/96/563274196.db2.gz XSCJNEFSCVERAB-VHSXEESVSA-N 0 3 388.287 2.975 20 5 GFBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623498 563331546 /nfs/dbraw/zinc/33/15/46/563331546.db2.gz BXPQEUFYNFYNAR-HNNXBMFYSA-N 0 3 383.246 2.917 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000375046280 563388851 /nfs/dbraw/zinc/38/88/51/563388851.db2.gz ISXZDTREEYJJJN-GFCCVEGCSA-N 0 3 382.258 2.976 20 5 GFBDHN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000425437090 563422303 /nfs/dbraw/zinc/42/23/03/563422303.db2.gz AQRJCPCILWMIQM-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000290858185 563724286 /nfs/dbraw/zinc/72/42/86/563724286.db2.gz XCYBXFSPGBMUKF-GXFFZTMASA-N 0 3 393.868 2.738 20 5 GFBDHN C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000290979194 563728786 /nfs/dbraw/zinc/72/87/86/563728786.db2.gz YJQLIVYSQPBQKQ-GFCCVEGCSA-N 0 3 375.300 2.875 20 5 GFBDHN COc1ccc(CNc2cc(N(C)C)c(Br)cn2)cc1[N+](=O)[O-] ZINC000449651584 564192860 /nfs/dbraw/zinc/19/28/60/564192860.db2.gz WPYZCGCDBKDOBQ-UHFFFAOYSA-N 0 3 381.230 2.861 20 5 GFBDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148555 564360694 /nfs/dbraw/zinc/36/06/94/564360694.db2.gz ZBJQFHMNLGAYCO-STQMWFEESA-N 0 3 389.905 2.895 20 5 GFBDHN CS(=O)(=O)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531697 564642725 /nfs/dbraw/zinc/64/27/25/564642725.db2.gz ONDJRUUNSDQUDN-QWHCGFSZSA-N 0 3 384.483 2.530 20 5 GFBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638128 564684776 /nfs/dbraw/zinc/68/47/76/564684776.db2.gz HYBNDTFEPWQYPH-LLVKDONJSA-N 0 3 389.237 2.977 20 5 GFBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149588 564711425 /nfs/dbraw/zinc/71/14/25/564711425.db2.gz GAGXMUAYXKIRCJ-ZDUSSCGKSA-N 0 3 387.267 2.644 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCC[C@@H](O)C2)c1 ZINC000583841926 564910150 /nfs/dbraw/zinc/91/01/50/564910150.db2.gz SFTSFHWMKHKDHQ-IINYFYTJSA-N 0 3 390.221 2.840 20 5 GFBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000504003087 565032826 /nfs/dbraw/zinc/03/28/26/565032826.db2.gz DFPSLIMRMASPNW-UHFFFAOYSA-N 0 3 377.894 2.988 20 5 GFBDHN CCO[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594969336 565438171 /nfs/dbraw/zinc/43/81/71/565438171.db2.gz OEUYHPZQKZQEMF-AULYBMBSSA-N 0 3 376.194 2.857 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000594990521 565439404 /nfs/dbraw/zinc/43/94/04/565439404.db2.gz ZQBKRGHAMIWQHC-CHWSQXEVSA-N 0 3 388.205 2.593 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676845 565696603 /nfs/dbraw/zinc/69/66/03/565696603.db2.gz HSAXRIDDJUYLDR-HNNXBMFYSA-N 0 3 386.235 2.777 20 5 GFBDHN C[C@H]([C@H](C)NCc1cc(Br)c([N+](=O)[O-])s1)N1CCOCC1 ZINC000602564050 565855386 /nfs/dbraw/zinc/85/53/86/565855386.db2.gz KQTXIYFXGHZXCY-VHSXEESVSA-N 0 3 378.292 2.618 20 5 GFBDHN CC(C)(CN1CCOCC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602688529 565863501 /nfs/dbraw/zinc/86/35/01/565863501.db2.gz BNLCHUHSAXGOOK-UHFFFAOYSA-N 0 3 378.292 2.619 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369667 598675254 /nfs/dbraw/zinc/67/52/54/598675254.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738369667 598675256 /nfs/dbraw/zinc/67/52/56/598675256.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369667 598675258 /nfs/dbraw/zinc/67/52/58/598675258.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738369667 598675260 /nfs/dbraw/zinc/67/52/60/598675260.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 0 3 393.451 2.751 20 5 GFBDHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826176285 608553732 /nfs/dbraw/zinc/55/37/32/608553732.db2.gz IYWSRYXAZMIUQE-ZDUSSCGKSA-N 0 3 398.423 2.822 20 5 GFBDHN CSc1ccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000275081230 655215737 /nfs/dbraw/zinc/21/57/37/655215737.db2.gz FHJUHGIDHSLXPR-ZBFHGGJFSA-N 0 3 381.523 2.969 20 5 GFBDHN O=[N+]([O-])c1cc(CNC2(CO)Cc3ccccc3C2)ccc1Br ZINC000734847946 655635358 /nfs/dbraw/zinc/63/53/58/655635358.db2.gz ZEERIJPWYYBJKA-UHFFFAOYSA-N 0 3 377.238 2.977 20 5 GFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H](C)C1 ZINC000798160510 659076943 /nfs/dbraw/zinc/07/69/43/659076943.db2.gz KWHPOCMQEWPYOJ-WDEREUQCSA-N 0 3 385.262 2.603 20 5 GFBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000798226331 659085224 /nfs/dbraw/zinc/08/52/24/659085224.db2.gz HYPAIGRLCKUTBI-LLVKDONJSA-N 0 3 393.868 2.786 20 5 GFBDHN CC(COC(=O)CCC[S@@](=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109231 660044165 /nfs/dbraw/zinc/04/41/65/660044165.db2.gz HFSHLTDQCUOTSG-CHNSCGDPSA-N 0 3 378.244 2.545 20 5 GFBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000813111588 660044361 /nfs/dbraw/zinc/04/43/61/660044361.db2.gz VJOQXLPPACXHIJ-RNCFNFMXSA-N 0 3 375.208 2.806 20 5 GFBDHN C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000814996336 660100559 /nfs/dbraw/zinc/10/05/59/660100559.db2.gz XCXFNXIAWDCDKH-JTQLQIEISA-N 0 3 379.841 2.540 20 5 GFBDHN O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000815290662 660119937 /nfs/dbraw/zinc/11/99/37/660119937.db2.gz MNDPTECGCQSCTQ-HOTGVXAUSA-N 0 3 385.258 2.767 20 5 GFBDHN CC([C@@H](OC(=O)Cn1cc(Br)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845876835 661502947 /nfs/dbraw/zinc/50/29/47/661502947.db2.gz QYDHRROZNVMHLQ-LKFCYVNXSA-N 0 3 386.177 2.734 20 5 GFBDHN C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000867307369 662541135 /nfs/dbraw/zinc/54/11/35/662541135.db2.gz ZCIWIZLXTIXFDW-LLVKDONJSA-N 0 3 382.258 2.666 20 5 GFBDHN C[C@@](CO)(NC[C@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271969 662922243 /nfs/dbraw/zinc/92/22/43/662922243.db2.gz JQKXRZGZAMKEDD-IRXDYDNUSA-N 0 3 395.253 2.888 20 5 GFBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000882767815 663041018 /nfs/dbraw/zinc/04/10/18/663041018.db2.gz DGOCSRQQGQJQON-UHFFFAOYSA-N 0 3 391.852 2.636 20 5 GFBDHN Cc1c(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251823 664789308 /nfs/dbraw/zinc/78/93/08/664789308.db2.gz BOWOSHBOUNXWSM-HZMBPMFUSA-N 0 3 383.246 2.834 20 5 GFBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173633556 552089958 /nfs/dbraw/zinc/08/99/58/552089958.db2.gz YQMZMPUTRSGWNC-CYBMUJFWSA-N 0 3 387.889 2.745 20 5 GFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677324 553094958 /nfs/dbraw/zinc/09/49/58/553094958.db2.gz IGXHHLZZXSNEAR-XHDPSFHLSA-N 0 3 382.258 2.914 20 5 GFBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cs1 ZINC000375749789 563416650 /nfs/dbraw/zinc/41/66/50/563416650.db2.gz HSNGEPILDVWUIX-NSHDSACASA-N 0 3 387.508 2.518 20 5 GFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438327 563422440 /nfs/dbraw/zinc/42/24/40/563422440.db2.gz CXRMZHRTISSXOL-GFCCVEGCSA-N 0 3 386.290 2.634 20 5 GFBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2cccc(Br)c2)c1 ZINC000320267914 563446180 /nfs/dbraw/zinc/44/61/80/563446180.db2.gz KTYUDYMBOJVFHB-HNNXBMFYSA-N 0 3 381.226 2.887 20 5 GFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000331356651 563547180 /nfs/dbraw/zinc/54/71/80/563547180.db2.gz SENCRHBRBNHWRS-RYUDHWBXSA-N 0 3 399.289 2.710 20 5 GFBDHN C[C@H](CC(C)(C)O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449453630 564186570 /nfs/dbraw/zinc/18/65/70/564186570.db2.gz XIIVLOVKPQEAAA-SECBINFHSA-N 0 3 378.210 2.839 20 5 GFBDHN CC[C@H](O)[C@H](CC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647882 564193753 /nfs/dbraw/zinc/19/37/53/564193753.db2.gz PYURKCWPSXJWFN-STQMWFEESA-N 0 3 378.210 2.839 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2ccccn2)c1 ZINC000563841035 564208834 /nfs/dbraw/zinc/20/88/34/564208834.db2.gz JISGFBAXOWLATG-UHFFFAOYSA-N 0 3 383.189 2.927 20 5 GFBDHN CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000564400083 564231536 /nfs/dbraw/zinc/23/15/36/564231536.db2.gz PDOLKYLWZBXLKE-LLVKDONJSA-N 0 3 389.237 2.725 20 5 GFBDHN Cc1c(Br)c(=O)n(CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000450905370 564254739 /nfs/dbraw/zinc/25/47/39/564254739.db2.gz NZBRASOABKFGJS-UHFFFAOYSA-N 0 3 380.242 2.959 20 5 GFBDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777062 564295510 /nfs/dbraw/zinc/29/55/10/564295510.db2.gz IXBLMZVSFZAFEX-IINYFYTJSA-N 0 3 388.262 2.683 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476801 564334557 /nfs/dbraw/zinc/33/45/57/564334557.db2.gz RMQGQKKQLUUMLS-XPTSAGLGSA-N 0 3 382.258 2.878 20 5 GFBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000544657006 564392262 /nfs/dbraw/zinc/39/22/62/564392262.db2.gz QECOVLHGFNMFFJ-GFCCVEGCSA-N 0 3 389.905 2.907 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCc3n[nH]cc3C2)c1 ZINC000568817198 564436289 /nfs/dbraw/zinc/43/62/89/564436289.db2.gz DHVDFFCFCHZAKA-LBPRGKRZSA-N 0 3 398.204 2.570 20 5 GFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000555414195 564792790 /nfs/dbraw/zinc/79/27/90/564792790.db2.gz DKRASIGQWGHXFP-UHFFFAOYSA-N 0 3 375.878 2.793 20 5 GFBDHN O=C(CN1CCCC1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561175703 564986377 /nfs/dbraw/zinc/98/63/77/564986377.db2.gz FLSIGROSDAXEMX-UHFFFAOYSA-N 0 3 387.267 2.646 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599572650 565689233 /nfs/dbraw/zinc/68/92/33/565689233.db2.gz DKNYBTJXUWJGGH-UHFFFAOYSA-N 0 3 376.194 2.668 20 5 GFBDHN O=C(NCCCNCc1cccnc1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602423737 565847371 /nfs/dbraw/zinc/84/73/71/565847371.db2.gz FEFATNRRKDTVEC-UHFFFAOYSA-N 0 3 393.241 2.662 20 5 GFBDHN O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000823645515 599591728 /nfs/dbraw/zinc/59/17/28/599591728.db2.gz SKAHTAVZZVMPCW-UHFFFAOYSA-N 0 3 380.408 2.818 20 5 GFBDHN CC(C)[NH+]1CCC(N(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820128612 606445853 /nfs/dbraw/zinc/44/58/53/606445853.db2.gz RLBLJXKOOZLBFA-UHFFFAOYSA-N 0 3 396.455 2.632 20 5 GFBDHN CC(C)[NH+]1CCC(N(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820128612 606445855 /nfs/dbraw/zinc/44/58/55/606445855.db2.gz RLBLJXKOOZLBFA-UHFFFAOYSA-N 0 3 396.455 2.632 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225542 607013640 /nfs/dbraw/zinc/01/36/40/607013640.db2.gz KTZXWABDHWQIDP-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225542 607013641 /nfs/dbraw/zinc/01/36/41/607013641.db2.gz KTZXWABDHWQIDP-CHWSQXEVSA-N 0 3 395.423 2.843 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293520 608463160 /nfs/dbraw/zinc/46/31/60/608463160.db2.gz RUYBDAQYMLUPEX-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293520 608463161 /nfs/dbraw/zinc/46/31/61/608463161.db2.gz RUYBDAQYMLUPEX-CYBMUJFWSA-N 0 3 395.423 2.763 20 5 GFBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670586 655175909 /nfs/dbraw/zinc/17/59/09/655175909.db2.gz IYZPDMLSRHGOLL-CYBMUJFWSA-N 0 3 375.878 2.743 20 5 GFBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000276902714 655292399 /nfs/dbraw/zinc/29/23/99/655292399.db2.gz IBKWJPSJZSNQNH-UHFFFAOYSA-N 0 3 389.905 2.931 20 5 GFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893720 655700385 /nfs/dbraw/zinc/70/03/85/655700385.db2.gz BSWAOAOUZUOSSU-WCQYABFASA-N 0 3 375.878 2.742 20 5 GFBDHN CN1CCC2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1=O ZINC000775203702 656614983 /nfs/dbraw/zinc/61/49/83/656614983.db2.gz HBZBAINKKQWLTB-UHFFFAOYSA-N 0 3 382.258 2.802 20 5 GFBDHN CC([C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1F)[N+](=O)[O-] ZINC000845873174 661502526 /nfs/dbraw/zinc/50/25/26/661502526.db2.gz BQPCTDHHOWNVIB-YMTOWFKASA-N 0 3 387.410 2.854 20 5 GFBDHN Cc1ccc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1Br ZINC000866212035 662464649 /nfs/dbraw/zinc/46/46/49/662464649.db2.gz BWPMFKPZTAVKDU-UHFFFAOYSA-N 0 3 397.317 2.882 20 5 GFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H](CCO)c3ccccc3Br)C2)c1 ZINC000877190889 662872145 /nfs/dbraw/zinc/87/21/45/662872145.db2.gz CVFXWTAZQPEDOO-ZEPSKSRBSA-N 0 3 395.257 2.971 20 5 GFBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCN2C2CCOCC2)cc1Br ZINC000897227845 663596171 /nfs/dbraw/zinc/59/61/71/663596171.db2.gz ICSGUZRQSXYKPP-LLVKDONJSA-N 0 3 390.303 2.762 20 5 GFBDHN O=[N+]([O-])c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905802 721545811 /nfs/dbraw/zinc/54/58/11/721545811.db2.gz IJYHREVXUPKYJE-GOEBONIOSA-N 0 3 397.410 2.952 20 5 GFBDHN O=[N+]([O-])c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905803 721546102 /nfs/dbraw/zinc/54/61/02/721546102.db2.gz IJYHREVXUPKYJE-HOCLYGCPSA-N 0 3 397.410 2.952 20 5 GFBDHN CCOc1cccc(N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000359873612 212120962 /nfs/dbraw/zinc/12/09/62/212120962.db2.gz LTXWLFUCQZQKSE-UHFFFAOYSA-N 0 3 376.501 2.847 20 5 GFBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000127563950 551342094 /nfs/dbraw/zinc/34/20/94/551342094.db2.gz MPFPOYJDHSPWNU-CMPLNLGQSA-N 0 3 382.258 2.641 20 5 GFBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158537070 551553248 /nfs/dbraw/zinc/55/32/48/551553248.db2.gz UDODTDQDWNSGGG-LBPRGKRZSA-N 0 3 387.889 2.886 20 5 GFBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2ccncc2)CC1 ZINC000158861731 551557735 /nfs/dbraw/zinc/55/77/35/551557735.db2.gz UGPHZRHUPJLBPW-UHFFFAOYSA-N 0 3 391.225 2.715 20 5 GFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc2c(c1)CNC2 ZINC000188741942 552453846 /nfs/dbraw/zinc/45/38/46/552453846.db2.gz YLOQWBSREYGLJB-UHFFFAOYSA-N 0 3 390.237 2.819 20 5 GFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000425411354 563421620 /nfs/dbraw/zinc/42/16/20/563421620.db2.gz ARTCHVMXTVZGFH-CYBMUJFWSA-N 0 3 384.274 2.511 20 5 GFBDHN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376212755 563433802 /nfs/dbraw/zinc/43/38/02/563433802.db2.gz VTCWCCRVPDWGFW-UKRRQHHQSA-N 0 3 397.317 2.820 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330557334 563510802 /nfs/dbraw/zinc/51/08/02/563510802.db2.gz WPQXDJKUTYMXMW-CHWSQXEVSA-N 0 3 377.388 2.731 20 5 GFBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000331940294 563568053 /nfs/dbraw/zinc/56/80/53/563568053.db2.gz MVTXYOFZWCBLRP-CVEARBPZSA-N 0 3 383.901 2.829 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCN2CCC[C@H]2C1 ZINC000363517270 563725045 /nfs/dbraw/zinc/72/50/45/563725045.db2.gz ZOZXNLFHONBVRV-QWRGUYRKSA-N 0 3 375.397 2.630 20 5 GFBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416365957 563818376 /nfs/dbraw/zinc/81/83/76/563818376.db2.gz CBNKPWFNLFIDJC-SNVBAGLBSA-N 0 3 383.392 2.622 20 5 GFBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476802 564334696 /nfs/dbraw/zinc/33/46/96/564334696.db2.gz RMQGQKKQLUUMLS-YMTOWFKASA-N 0 3 382.258 2.878 20 5 GFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512164055 564393403 /nfs/dbraw/zinc/39/34/03/564393403.db2.gz NJZJNKAWPSOKJW-OAHLLOKOSA-N 0 3 386.235 2.777 20 5 GFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(Br)c2)c1 ZINC000514668109 564453783 /nfs/dbraw/zinc/45/37/83/564453783.db2.gz TUCZWNXLPIABEK-HNNXBMFYSA-N 0 3 381.226 2.887 20 5 GFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1N(C)C ZINC000490860692 564783381 /nfs/dbraw/zinc/78/33/81/564783381.db2.gz SVPDPSPLVRSIQT-QWHCGFSZSA-N 0 3 377.388 2.731 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000558459854 564901423 /nfs/dbraw/zinc/90/14/23/564901423.db2.gz QNPMNDCLZPTZMS-UHFFFAOYSA-N 0 3 376.194 2.546 20 5 GFBDHN Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068818 564954662 /nfs/dbraw/zinc/95/46/62/564954662.db2.gz MWPKTNKUMIYTHN-GXTWGEPZSA-N 0 3 385.511 2.602 20 5 GFBDHN NC(=O)[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000593669825 565355124 /nfs/dbraw/zinc/35/51/24/565355124.db2.gz FYHJQUGKTCXCOU-AOOOYVTPSA-N 0 3 394.225 2.971 20 5 GFBDHN CCCN1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992121 565439901 /nfs/dbraw/zinc/43/99/01/565439901.db2.gz PAGIBVZPNGAUKX-ZDUSSCGKSA-N 0 3 389.237 2.773 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599009886 565653870 /nfs/dbraw/zinc/65/38/70/565653870.db2.gz NXZZVQXVLKWJRG-GXTWGEPZSA-N 0 3 388.205 2.857 20 5 GFBDHN O=[N+]([O-])c1sc(CN[C@H](CCO)C2CCOCC2)cc1Br ZINC000602616068 565858026 /nfs/dbraw/zinc/85/80/26/565858026.db2.gz HEJMLYMKKXGDFZ-GFCCVEGCSA-N 0 3 379.276 2.686 20 5 GFBDHN CCCN1C[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602696079 565863441 /nfs/dbraw/zinc/86/34/41/565863441.db2.gz CIGBQNPWPIJHEF-VIFPVBQESA-N 0 3 376.276 2.767 20 5 GFBDHN CS(=O)(=O)Nc1cccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000611498934 566134168 /nfs/dbraw/zinc/13/41/68/566134168.db2.gz LXPDECPUXYXPPL-UHFFFAOYSA-N 0 3 383.857 2.952 20 5 GFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000823634818 599450075 /nfs/dbraw/zinc/45/00/75/599450075.db2.gz MQOVJVBRNIPKGO-UHFFFAOYSA-N 0 3 392.423 2.535 20 5 GFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000823634818 599450076 /nfs/dbraw/zinc/45/00/76/599450076.db2.gz MQOVJVBRNIPKGO-UHFFFAOYSA-N 0 3 392.423 2.535 20 5 GFBDHN CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399412 607553410 /nfs/dbraw/zinc/55/34/10/607553410.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399412 607553411 /nfs/dbraw/zinc/55/34/11/607553411.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399412 607553414 /nfs/dbraw/zinc/55/34/14/607553414.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 0 3 382.424 2.891 20 5 GFBDHN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399412 607553416 /nfs/dbraw/zinc/55/34/16/607553416.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 0 3 382.424 2.891 20 5 GFBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289269625 655345069 /nfs/dbraw/zinc/34/50/69/655345069.db2.gz CVMBHCRVDRXACX-UHFFFAOYSA-N 0 3 393.868 2.881 20 5 GFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637774 655870702 /nfs/dbraw/zinc/87/07/02/655870702.db2.gz XXLZJYGITZEAMJ-NSHDSACASA-N 0 3 386.221 2.711 20 5 GFBDHN CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000809807683 659940318 /nfs/dbraw/zinc/94/03/18/659940318.db2.gz QMDJEPJEMDIPMD-UHFFFAOYSA-N 0 3 393.868 2.930 20 5 GFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814998601 660100645 /nfs/dbraw/zinc/10/06/45/660100645.db2.gz QHMGGXPWIZSHKG-UHFFFAOYSA-N 0 3 393.868 2.882 20 5 GFBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029569 660104261 /nfs/dbraw/zinc/10/42/61/660104261.db2.gz ARHZYNALIJVGPB-SNVBAGLBSA-N 0 3 393.868 2.738 20 5 GFBDHN COC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000895858517 663530674 /nfs/dbraw/zinc/53/06/74/663530674.db2.gz KALIROBWBADZKH-CABZTGNLSA-N 0 3 379.276 2.950 20 5 GFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000923283255 664627483 /nfs/dbraw/zinc/62/74/83/664627483.db2.gz ZFYPUAONTGXCIA-GXTWGEPZSA-N 0 3 382.258 2.595 20 5 GFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000124279124 551312829 /nfs/dbraw/zinc/31/28/29/551312829.db2.gz GGLWSJWPNOERTI-AAEUAGOBSA-N 0 3 375.878 2.517 20 5 GFBDHN NC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150715 551533901 /nfs/dbraw/zinc/53/39/01/551533901.db2.gz IJDMSVVSYSBXHI-JTQLQIEISA-N 0 3 394.225 2.925 20 5 GFBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564711 551553710 /nfs/dbraw/zinc/55/37/10/551553710.db2.gz BSVVGYQRWGLFME-GFCCVEGCSA-N 0 3 387.889 2.886 20 5 GFBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000246930679 553115785 /nfs/dbraw/zinc/11/57/85/553115785.db2.gz HBZAUZNCFMGFML-JSGCOSHPSA-N 0 3 387.889 2.661 20 5 GFBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000263710715 553191853 /nfs/dbraw/zinc/19/18/53/553191853.db2.gz POSBQNKSBRMSDW-UHFFFAOYSA-N 0 3 387.889 2.887 20 5 GFBDHN CN1CCC[C@@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305364 563400239 /nfs/dbraw/zinc/40/02/39/563400239.db2.gz UGFPWYFCULNPEO-CQSZACIVSA-N 0 3 383.290 2.574 20 5 GFBDHN CN1CCC2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1=O ZINC000425472280 563423963 /nfs/dbraw/zinc/42/39/63/563423963.db2.gz HOXHWZDNYLKERG-UHFFFAOYSA-N 0 3 382.258 2.802 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000377887871 563490359 /nfs/dbraw/zinc/49/03/59/563490359.db2.gz HLKNTERWWUMBQA-SNVBAGLBSA-N 0 3 394.280 2.760 20 5 GFBDHN O=C1NC(=O)C2(CCC(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)N1 ZINC000290995872 563729035 /nfs/dbraw/zinc/72/90/35/563729035.db2.gz AIHICWUZBCUDNI-UHFFFAOYSA-N 0 3 387.223 2.512 20 5 GFBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000449428800 564185795 /nfs/dbraw/zinc/18/57/95/564185795.db2.gz UFJRALOKYBPXEJ-UHFFFAOYSA-N 0 3 378.210 2.650 20 5 GFBDHN CC[C@@H](O)[C@@H](CC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647879 564192883 /nfs/dbraw/zinc/19/28/83/564192883.db2.gz PYURKCWPSXJWFN-CHWSQXEVSA-N 0 3 378.210 2.839 20 5 GFBDHN C[C@H]1OCC[C@]1(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390250 564231469 /nfs/dbraw/zinc/23/14/69/564231469.db2.gz KODPNVRVMUUZGT-RNCFNFMXSA-N 0 3 376.194 2.857 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H](CO)CC2CCC2)c1 ZINC000580643324 564767728 /nfs/dbraw/zinc/76/77/28/564767728.db2.gz DIOHKAKPHFFEGZ-ZDUSSCGKSA-N 0 3 390.221 2.840 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000585698996 565105616 /nfs/dbraw/zinc/10/56/16/565105616.db2.gz ZDADYKDSCIPLHN-LBPRGKRZSA-N 0 3 382.258 2.880 20 5 GFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CC[NH+](CC2CC2)CC1 ZINC000595413300 565475073 /nfs/dbraw/zinc/47/50/73/565475073.db2.gz ZOWQLVXXFCRZHK-UHFFFAOYSA-N 0 3 387.889 2.649 20 5 GFBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)[C@]1(O)CCOC1 ZINC000602697964 565864080 /nfs/dbraw/zinc/86/40/80/565864080.db2.gz RIGZBZXTGDPGDT-ZDUSSCGKSA-N 0 3 379.276 2.686 20 5 GFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000602827097 565869617 /nfs/dbraw/zinc/86/96/17/565869617.db2.gz OKWWDOVKNLLQJD-OAHLLOKOSA-N 0 3 380.246 2.998 20 5 GFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957736 565920941 /nfs/dbraw/zinc/92/09/41/565920941.db2.gz JKVZPRSUPVESNN-UHFFFAOYSA-N 0 3 375.466 2.722 20 5 GFBDHN CN(C)C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000609423960 566038814 /nfs/dbraw/zinc/03/88/14/566038814.db2.gz AWYFHLDXUKFKJH-GFCCVEGCSA-N 0 3 395.257 2.672 20 5 GFBDHN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291707 598976476 /nfs/dbraw/zinc/97/64/76/598976476.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291707 598976478 /nfs/dbraw/zinc/97/64/78/598976478.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291707 598976480 /nfs/dbraw/zinc/97/64/80/598976480.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291707 598976482 /nfs/dbraw/zinc/97/64/82/598976482.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 0 3 393.451 2.876 20 5 GFBDHN COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821813306 599449946 /nfs/dbraw/zinc/44/99/46/599449946.db2.gz FCLPNXQPYNAZJT-UHFFFAOYSA-N 0 3 382.424 2.896 20 5 GFBDHN COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000821813306 599449948 /nfs/dbraw/zinc/44/99/48/599449948.db2.gz FCLPNXQPYNAZJT-UHFFFAOYSA-N 0 3 382.424 2.896 20 5 GFBDHN C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449865 607044158 /nfs/dbraw/zinc/04/41/58/607044158.db2.gz DEJGQALSSGCBTI-LLVKDONJSA-N 0 3 384.444 2.711 20 5 GFBDHN C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449865 607044160 /nfs/dbraw/zinc/04/41/60/607044160.db2.gz DEJGQALSSGCBTI-LLVKDONJSA-N 0 3 384.444 2.711 20 5 GFBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000116907549 655256654 /nfs/dbraw/zinc/25/66/54/655256654.db2.gz MGGUZXWSJATWSL-GFCCVEGCSA-N 0 3 383.857 2.877 20 5 GFBDHN COC[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000117946614 655270692 /nfs/dbraw/zinc/27/06/92/655270692.db2.gz LPTNOYFTWFITMF-NSHDSACASA-N 0 3 385.214 2.714 20 5 GFBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)cs1 ZINC000119624586 655308663 /nfs/dbraw/zinc/30/86/63/655308663.db2.gz MYMGTZRPBOEAFH-UHFFFAOYSA-N 0 3 387.527 2.933 20 5 GFBDHN CC(C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000768806363 656252033 /nfs/dbraw/zinc/25/20/33/656252033.db2.gz ZPIZYNBQSPJCMN-AWEZNQCLSA-N 0 3 375.516 2.691 20 5 GFBDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838950 656254801 /nfs/dbraw/zinc/25/48/01/656254801.db2.gz YUINCIFGRXSUPC-GFCCVEGCSA-N 0 3 375.516 2.835 20 5 GFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795943616 658875414 /nfs/dbraw/zinc/87/54/14/658875414.db2.gz DXRSXWVIUGPWAN-UHFFFAOYSA-N 0 3 393.868 2.884 20 5 GFBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809861058 659950643 /nfs/dbraw/zinc/95/06/43/659950643.db2.gz LWYITAIZINPKAI-VIFPVBQESA-N 0 3 384.285 2.909 20 5 GFBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809861058 659950645 /nfs/dbraw/zinc/95/06/45/659950645.db2.gz LWYITAIZINPKAI-VIFPVBQESA-N 0 3 384.285 2.909 20 5 GFBDHN O=[N+]([O-])c1cc(I)cc(CNCCOc2cccnc2)c1 ZINC000810144602 659964296 /nfs/dbraw/zinc/96/42/96/659964296.db2.gz CJMAGKZMQCZAMN-UHFFFAOYSA-N 0 3 399.188 2.763 20 5 GFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[NH+]1CCCCCC1 ZINC000814986187 660100101 /nfs/dbraw/zinc/10/01/01/660100101.db2.gz JPCNHQLAJWHOSY-UHFFFAOYSA-N 0 3 379.841 2.542 20 5 GFBDHN CC([C@H](OC(=O)c1cc(Br)nn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879330 661503412 /nfs/dbraw/zinc/50/34/12/661503412.db2.gz IPNBNFOXURXGCV-OQPBUACISA-N 0 3 386.177 2.885 20 5 GFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827152 662837580 /nfs/dbraw/zinc/83/75/80/662837580.db2.gz CAGRGZFEVJHSJZ-HUUCEWRRSA-N 0 3 382.258 2.974 20 5 GFBDHN COc1ccc(CN[C@@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898726117 663661557 /nfs/dbraw/zinc/66/15/57/663661557.db2.gz YKWGKGRSHYTYJS-LLVKDONJSA-N 0 3 381.230 2.667 20 5 GFBDHN C[C@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497546 664909213 /nfs/dbraw/zinc/90/92/13/664909213.db2.gz VTRDJFIABNNTHK-DLBZAZTESA-N 0 3 395.253 2.888 20 5 GFBDHN