smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000066327750 551186192 /nfs/dbraw/zinc/18/61/92/551186192.db2.gz FWTFUEUWPGZGPW-CQSZACIVSA-N -1 1 381.479 2.599 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(O)c(Br)c2)s1 ZINC000127271108 551339247 /nfs/dbraw/zinc/33/92/47/551339247.db2.gz FUUFDTJGLXNDRK-UHFFFAOYSA-N -1 1 393.240 2.603 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130807570 551369079 /nfs/dbraw/zinc/36/90/79/551369079.db2.gz DCQQESZKNWSGAD-UHFFFAOYSA-N -1 1 388.192 2.974 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000130807570 551369080 /nfs/dbraw/zinc/36/90/80/551369080.db2.gz DCQQESZKNWSGAD-UHFFFAOYSA-N -1 1 388.192 2.974 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000152263074 551429410 /nfs/dbraw/zinc/42/94/10/551429410.db2.gz BSEBUGAHKNSVMO-SECBINFHSA-N -1 1 381.273 2.531 20 5 GFBDMM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162086101 551602941 /nfs/dbraw/zinc/60/29/41/551602941.db2.gz ZWRWIQHRRYQCDM-JTQLQIEISA-N -1 1 382.269 2.664 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000173638528 552089800 /nfs/dbraw/zinc/08/98/00/552089800.db2.gz MXAZXZPVQMRWJF-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)s1 ZINC000174030927 552097591 /nfs/dbraw/zinc/09/75/91/552097591.db2.gz LKIZJFJAIXAEMU-UHFFFAOYSA-N -1 1 387.386 2.653 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000186908073 552401051 /nfs/dbraw/zinc/40/10/51/552401051.db2.gz FITPUFXGSMVWFC-LLVKDONJSA-N -1 1 389.430 2.937 20 5 GFBDMM O=C(c1ccc(Br)cc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188516685 552447039 /nfs/dbraw/zinc/44/70/39/552447039.db2.gz IDNKARVOYQZPQS-UHFFFAOYSA-N -1 1 393.193 2.966 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000191787638 552537855 /nfs/dbraw/zinc/53/78/55/552537855.db2.gz IYKSAAIGQUAQKD-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000296268140 563281552 /nfs/dbraw/zinc/28/15/52/563281552.db2.gz MDWNIFHUTQFGAW-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289210253 563672256 /nfs/dbraw/zinc/67/22/56/563672256.db2.gz SMYQUDNHVYDYJH-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290653335 563717239 /nfs/dbraw/zinc/71/72/39/563717239.db2.gz FDHRMFBWWNCBPR-SSDOTTSWSA-N -1 1 391.808 2.902 20 5 GFBDMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364325535 563749931 /nfs/dbraw/zinc/74/99/31/563749931.db2.gz QNAFAHDJEXGQGR-NSHDSACASA-N -1 1 395.213 2.737 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292038567 563771207 /nfs/dbraw/zinc/77/12/07/563771207.db2.gz ZBTRVBUXZYILOO-VFZGTOFNSA-N -1 1 386.426 2.776 20 5 GFBDMM O=C(c1cc(Br)ccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365971518 563796837 /nfs/dbraw/zinc/79/68/37/563796837.db2.gz TWFJYSVGZVKYGU-UHFFFAOYSA-N -1 1 395.213 2.737 20 5 GFBDMM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000474161658 564267570 /nfs/dbraw/zinc/26/75/70/564267570.db2.gz YFWVPGJIUTZSOV-ZDUSSCGKSA-N -1 1 384.841 2.784 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000541801973 564289740 /nfs/dbraw/zinc/28/97/40/564289740.db2.gz QXQMLDJLZMMVKF-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000510486903 564335886 /nfs/dbraw/zinc/33/58/86/564335886.db2.gz CSKCPLULBPRJQW-CYBMUJFWSA-N -1 1 393.259 2.595 20 5 GFBDMM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451699534 564341140 /nfs/dbraw/zinc/34/11/40/564341140.db2.gz VMYULIGIOGETFM-PWSUYJOCSA-N -1 1 390.845 2.648 20 5 GFBDMM CSCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000546780868 564468736 /nfs/dbraw/zinc/46/87/36/564468736.db2.gz JOTZXAHIEWVPGZ-UHFFFAOYSA-N -1 1 382.419 2.957 20 5 GFBDMM CC(C)(C)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548563211 564560869 /nfs/dbraw/zinc/56/08/69/564560869.db2.gz YXSXLLHJOMLZAR-SNVBAGLBSA-N -1 1 385.225 2.679 20 5 GFBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000532297196 564933962 /nfs/dbraw/zinc/93/39/62/564933962.db2.gz FTWIHOKVHLMRPG-CQSZACIVSA-N -1 1 390.845 2.648 20 5 GFBDMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000561402947 564994031 /nfs/dbraw/zinc/99/40/31/564994031.db2.gz OBCNUGLWSPLKLQ-GFCCVEGCSA-N -1 1 382.825 2.839 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000618383307 565297879 /nfs/dbraw/zinc/29/78/79/565297879.db2.gz ZXTUPTWLXYLIHL-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000609802215 566053564 /nfs/dbraw/zinc/05/35/64/566053564.db2.gz OGCGWRBHZUDIAA-UHFFFAOYSA-N -1 1 376.456 2.589 20 5 GFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609899258 566058404 /nfs/dbraw/zinc/05/84/04/566058404.db2.gz MEWBFTBBIVDQBL-LLVKDONJSA-N -1 1 395.275 2.841 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000610512840 566084976 /nfs/dbraw/zinc/08/49/76/566084976.db2.gz MLQVDNBWSFVXFX-UHFFFAOYSA-N -1 1 380.813 2.646 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c(Br)c1 ZINC000611183351 566120028 /nfs/dbraw/zinc/12/00/28/566120028.db2.gz OWEJOXGHAFKBSY-UHFFFAOYSA-N -1 1 397.210 2.806 20 5 GFBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000511696178 600005870 /nfs/dbraw/zinc/00/58/70/600005870.db2.gz UOLONAZZFUYFNC-UHFFFAOYSA-N -1 1 380.378 2.719 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000762444486 601782551 /nfs/dbraw/zinc/78/25/51/601782551.db2.gz ODGVBLBAVPNJMS-UHFFFAOYSA-N -1 1 384.797 2.985 20 5 GFBDMM Cc1cc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826271728 607580049 /nfs/dbraw/zinc/58/00/49/607580049.db2.gz FBWNJCDCJRMLAO-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1cc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826271728 607580050 /nfs/dbraw/zinc/58/00/50/607580050.db2.gz FBWNJCDCJRMLAO-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C([O-])N1CCC2(CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CC1 ZINC000834091958 605896996 /nfs/dbraw/zinc/89/69/96/605896996.db2.gz NFYPXWHBQNYVQQ-UHFFFAOYSA-N -1 1 387.396 2.611 20 5 GFBDMM CCOCCOc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821384124 606720035 /nfs/dbraw/zinc/72/00/35/606720035.db2.gz QFXAKCIFAOQCLM-UHFFFAOYSA-N -1 1 399.411 2.506 20 5 GFBDMM CCOCCOc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821384124 606720037 /nfs/dbraw/zinc/72/00/37/606720037.db2.gz QFXAKCIFAOQCLM-UHFFFAOYSA-N -1 1 399.411 2.506 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OCc2ccccn2)c1 ZINC000823625398 607168407 /nfs/dbraw/zinc/16/84/07/607168407.db2.gz UGBNTFCGHQJMJF-UHFFFAOYSA-N -1 1 390.363 2.888 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OCc2ccccn2)c1 ZINC000823625398 607168409 /nfs/dbraw/zinc/16/84/09/607168409.db2.gz UGBNTFCGHQJMJF-UHFFFAOYSA-N -1 1 390.363 2.888 20 5 GFBDMM CCOc1ccc(Cl)cc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825638797 607905486 /nfs/dbraw/zinc/90/54/86/607905486.db2.gz PBUHWSRYWQAHNM-UHFFFAOYSA-N -1 1 389.803 2.877 20 5 GFBDMM CCOc1ccc(Cl)cc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825638797 607905487 /nfs/dbraw/zinc/90/54/87/607905487.db2.gz PBUHWSRYWQAHNM-UHFFFAOYSA-N -1 1 389.803 2.877 20 5 GFBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1noc2c1CCCC2 ZINC000826451246 608164162 /nfs/dbraw/zinc/16/41/62/608164162.db2.gz XLIVLOWGHNPKOX-UHFFFAOYSA-N -1 1 389.759 2.547 20 5 GFBDMM Cc1noc(C2CC2)c1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826339877 609511297 /nfs/dbraw/zinc/51/12/97/609511297.db2.gz YDURRMGOBKBEGH-UHFFFAOYSA-N -1 1 389.759 2.854 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Br)c(F)c1 ZINC000823630514 660376935 /nfs/dbraw/zinc/37/69/35/660376935.db2.gz ZFOZTGBDIJEWAT-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Br)c(F)c1 ZINC000823630514 660376937 /nfs/dbraw/zinc/37/69/37/660376937.db2.gz ZFOZTGBDIJEWAT-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830827188 660682481 /nfs/dbraw/zinc/68/24/81/660682481.db2.gz KSCODSOFQSDTTL-VIFPVBQESA-N -1 1 397.236 2.522 20 5 GFBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033468 660691869 /nfs/dbraw/zinc/69/18/69/660691869.db2.gz VXCIQVKWLUAOQM-GZMMTYOYSA-N -1 1 383.253 2.995 20 5 GFBDMM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832111122 660755180 /nfs/dbraw/zinc/75/51/80/660755180.db2.gz JGMXBCVCHFFBLQ-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524440 660784177 /nfs/dbraw/zinc/78/41/77/660784177.db2.gz OJBRJOKPMLHKKX-JVXZTZIISA-N -1 1 383.253 2.993 20 5 GFBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832620679 660790219 /nfs/dbraw/zinc/79/02/19/660790219.db2.gz KYZCIPNZBHNJLB-UHFFFAOYSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000044572805 654659991 /nfs/dbraw/zinc/65/99/91/654659991.db2.gz PCFVKRDFFSEXJN-SNVBAGLBSA-N -1 1 375.244 2.992 20 5 GFBDMM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N2CCCC2)o1 ZINC000101580200 655045270 /nfs/dbraw/zinc/04/52/70/655045270.db2.gz WTJVVJJTJUDPOC-LBPRGKRZSA-N -1 1 385.467 2.673 20 5 GFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000173522824 655173632 /nfs/dbraw/zinc/17/36/32/655173632.db2.gz QUZUGVATZTWFKK-SECBINFHSA-N -1 1 395.275 2.839 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000119320320 655298651 /nfs/dbraw/zinc/29/86/51/655298651.db2.gz CRSSJFKUFWQXMK-PSLIRLAXSA-N -1 1 388.804 2.788 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000757745450 655916049 /nfs/dbraw/zinc/91/60/49/655916049.db2.gz XBBLRJSBCMJHJN-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000768792876 656251557 /nfs/dbraw/zinc/25/15/57/656251557.db2.gz FUTQCBBVPWEDLT-UHFFFAOYSA-N -1 1 394.377 2.745 20 5 GFBDMM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883680 656258471 /nfs/dbraw/zinc/25/84/71/656258471.db2.gz UYJXUXLQDUBHEN-UHFFFAOYSA-N -1 1 385.398 2.723 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H](O)C(F)(F)F ZINC000779918499 656964903 /nfs/dbraw/zinc/96/49/03/656964903.db2.gz URHFZUNJJDPZIR-WRWORJQWSA-N -1 1 390.767 2.537 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)cc1Cl ZINC000798225929 659085421 /nfs/dbraw/zinc/08/54/21/659085421.db2.gz RSSBMUDQRFJJFB-JTQLQIEISA-N -1 1 386.788 2.669 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccco2)c(Cl)cc1Cl ZINC000809818825 659942375 /nfs/dbraw/zinc/94/23/75/659942375.db2.gz JZHALORNLYXAPY-JTQLQIEISA-N -1 1 381.193 2.507 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c(Cl)cc1Cl ZINC000809826252 659944706 /nfs/dbraw/zinc/94/47/06/659944706.db2.gz AEUDMVZBPBLEOB-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)cc1Cl ZINC000809830095 659946056 /nfs/dbraw/zinc/94/60/56/659946056.db2.gz RKWYWXQSJMHPNS-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809831402 659946449 /nfs/dbraw/zinc/94/64/49/659946449.db2.gz UKJMDVRMZNKURA-SNVBAGLBSA-N -1 1 399.252 2.912 20 5 GFBDMM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000814985902 660100023 /nfs/dbraw/zinc/10/00/23/660100023.db2.gz XIXUDTAFWQFVGY-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000815018064 660102112 /nfs/dbraw/zinc/10/21/12/660102112.db2.gz FBTSYSBXZHBDJK-VIFPVBQESA-N -1 1 396.824 2.501 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC1CCCCC1 ZINC000815020724 660102507 /nfs/dbraw/zinc/10/25/07/660102507.db2.gz DKMCKVKCJNAMRJ-UHFFFAOYSA-N -1 1 394.808 2.542 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000815033594 660104859 /nfs/dbraw/zinc/10/48/59/660104859.db2.gz MSQPPUZYXZEFHE-HUUCEWRRSA-N -1 1 392.836 2.871 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845975496 661515292 /nfs/dbraw/zinc/51/52/92/661515292.db2.gz BOIKDTJSGXDTGN-BZNIZROVSA-N -1 1 384.841 2.823 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848489973 661655192 /nfs/dbraw/zinc/65/51/92/661655192.db2.gz UGZWLIFZFJEMRS-SECBINFHSA-N -1 1 378.834 2.504 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859341118 662153903 /nfs/dbraw/zinc/15/39/03/662153903.db2.gz MBDLBBPPUQVGAL-UGNBQVLZSA-N -1 1 383.253 2.992 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000859367325 662156831 /nfs/dbraw/zinc/15/68/31/662156831.db2.gz CHMWHBUHGBKSCY-KWQFWETISA-N -1 1 381.237 2.747 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173542653 552087726 /nfs/dbraw/zinc/08/77/26/552087726.db2.gz DCHMQVUXDDQUOG-OLZOCXBDSA-N -1 1 384.845 2.907 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000180741824 552234610 /nfs/dbraw/zinc/23/46/10/552234610.db2.gz GCDUVZFIBOVQFF-RISCZKNCSA-N -1 1 390.389 2.743 20 5 GFBDMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1 ZINC000295190814 563233777 /nfs/dbraw/zinc/23/37/77/563233777.db2.gz RBSBULLZDNXRHN-ZCFIWIBFSA-N -1 1 394.240 2.622 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000296268150 563281955 /nfs/dbraw/zinc/28/19/55/563281955.db2.gz MDWNIFHUTQFGAW-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM CC[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OCCc2ccccc21 ZINC000564353570 564229458 /nfs/dbraw/zinc/22/94/58/564229458.db2.gz BHLQCCRKHXMCOD-INIZCTEOSA-N -1 1 382.463 2.813 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000569526175 564467938 /nfs/dbraw/zinc/46/79/38/564467938.db2.gz URUOPUSAGAOAFO-LLVKDONJSA-N -1 1 386.788 2.669 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000555413690 564792729 /nfs/dbraw/zinc/79/27/29/564792729.db2.gz YUGBPJGXCXXPEW-GFCCVEGCSA-N -1 1 376.862 2.715 20 5 GFBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000532297193 564933911 /nfs/dbraw/zinc/93/39/11/564933911.db2.gz FTWIHOKVHLMRPG-AWEZNQCLSA-N -1 1 390.845 2.648 20 5 GFBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000532298174 564933948 /nfs/dbraw/zinc/93/39/48/564933948.db2.gz WJDQOVVPSCGUPU-ZDUSSCGKSA-N -1 1 390.845 2.648 20 5 GFBDMM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000591743552 565237667 /nfs/dbraw/zinc/23/76/67/565237667.db2.gz DNYKHFTYJMWYKW-HQJQHLMTSA-N -1 1 399.252 2.925 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)ccc1-c1nn[n-]n1 ZINC000823634035 607347411 /nfs/dbraw/zinc/34/74/11/607347411.db2.gz AFPSAALRMSFFGH-MRXNPFEDSA-N -1 1 388.334 2.631 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097433 604930778 /nfs/dbraw/zinc/93/07/78/604930778.db2.gz OGVRVYCXRYQXPZ-STQMWFEESA-N -1 1 378.429 2.937 20 5 GFBDMM CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000826916822 605484764 /nfs/dbraw/zinc/48/47/64/605484764.db2.gz SEKUGWCIVWMRHO-UHFFFAOYSA-N -1 1 389.412 2.999 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Br)cc1 ZINC000823624566 606709158 /nfs/dbraw/zinc/70/91/58/606709158.db2.gz CSJGANUEGPJPJV-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Br)cc1 ZINC000823624566 606709159 /nfs/dbraw/zinc/70/91/59/606709159.db2.gz CSJGANUEGPJPJV-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM CC(C)C[C@@H](C)Oc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000820057299 606709428 /nfs/dbraw/zinc/70/94/28/606709428.db2.gz XRZRIKSGBMCNKJ-GFCCVEGCSA-N -1 1 398.427 2.990 20 5 GFBDMM CC(C)C[C@@H](C)Oc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000820057299 606709430 /nfs/dbraw/zinc/70/94/30/606709430.db2.gz XRZRIKSGBMCNKJ-GFCCVEGCSA-N -1 1 398.427 2.990 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1csc(-c2ccccc2)n1 ZINC000823624515 606720551 /nfs/dbraw/zinc/72/05/51/606720551.db2.gz BBFXCLONPFGJCB-UHFFFAOYSA-N -1 1 394.420 2.948 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1csc(-c2ccccc2)n1 ZINC000823624515 606720552 /nfs/dbraw/zinc/72/05/52/606720552.db2.gz BBFXCLONPFGJCB-UHFFFAOYSA-N -1 1 394.420 2.948 20 5 GFBDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000827799342 660516426 /nfs/dbraw/zinc/51/64/26/660516426.db2.gz QKCMKHVDSKCRNB-VHSXEESVSA-N -1 1 393.487 2.626 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCn3ccnc32)c(Cl)cc1Cl ZINC000831739932 660723796 /nfs/dbraw/zinc/72/37/96/660723796.db2.gz USDLLGCTAYIXMV-VIFPVBQESA-N -1 1 377.209 2.521 20 5 GFBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832410341 660778334 /nfs/dbraw/zinc/77/83/34/660778334.db2.gz IWNVJWUBWMARJC-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1Cl ZINC000832581041 660787721 /nfs/dbraw/zinc/78/77/21/660787721.db2.gz ZEKMLKIUCYKQNF-SECBINFHSA-N -1 1 383.253 2.997 20 5 GFBDMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832463192 660781328 /nfs/dbraw/zinc/78/13/28/660781328.db2.gz UCPWDZZJXNUEQY-MRVPVSSYSA-N -1 1 393.252 2.545 20 5 GFBDMM CC(C)c1ncc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])[n-]1 ZINC000125509744 654796420 /nfs/dbraw/zinc/79/64/20/654796420.db2.gz MNGPZJMNKKOBPY-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM CC(C)c1nc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])c[n-]1 ZINC000125509744 654796426 /nfs/dbraw/zinc/79/64/26/654796426.db2.gz MNGPZJMNKKOBPY-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129178048 654859453 /nfs/dbraw/zinc/85/94/53/654859453.db2.gz PWRWHKHYKXQVOU-IAQYHMDHSA-N -1 1 384.841 2.519 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000133984535 654979641 /nfs/dbraw/zinc/97/96/41/654979641.db2.gz XDQKXHRRGXCPGF-UHFFFAOYSA-N -1 1 381.273 2.531 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000173831386 655182247 /nfs/dbraw/zinc/18/22/47/655182247.db2.gz PFXYVXHOLQJSOI-LBPRGKRZSA-N -1 1 395.275 2.697 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000116712291 655252237 /nfs/dbraw/zinc/25/22/37/655252237.db2.gz DIPUFJYBNHNUJS-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246171992 655429418 /nfs/dbraw/zinc/42/94/18/655429418.db2.gz CUUVDVFZRFDEAD-NILFDRSVSA-N -1 1 386.857 2.874 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCCC1 ZINC000725820802 655526882 /nfs/dbraw/zinc/52/68/82/655526882.db2.gz ZCQATWLDWCKTNI-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000752978603 655848914 /nfs/dbraw/zinc/84/89/14/655848914.db2.gz ZFLPUKPTQOOLGK-UHFFFAOYSA-N -1 1 383.158 2.509 20 5 GFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1Cl ZINC000757472471 655911785 /nfs/dbraw/zinc/91/17/85/655911785.db2.gz ILYCUKNNVONSTR-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000761894910 656023935 /nfs/dbraw/zinc/02/39/35/656023935.db2.gz OYVYIFMPRKQYIR-UHFFFAOYSA-N -1 1 386.813 2.729 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000775728950 656675635 /nfs/dbraw/zinc/67/56/35/656675635.db2.gz MWIVHNADEIATEQ-LLVKDONJSA-N -1 1 390.845 2.602 20 5 GFBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000841527912 661291107 /nfs/dbraw/zinc/29/11/07/661291107.db2.gz LSGCXTGHXZUJOH-SECBINFHSA-N -1 1 380.825 2.871 20 5 GFBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817865 659942078 /nfs/dbraw/zinc/94/20/78/659942078.db2.gz RCAPXYSDOPDELY-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000814994869 660100520 /nfs/dbraw/zinc/10/05/20/660100520.db2.gz DCYBCMFSLGVQRF-UHFFFAOYSA-N -1 1 388.760 2.595 20 5 GFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815026809 660103831 /nfs/dbraw/zinc/10/38/31/660103831.db2.gz VAMROJHSWZSLTL-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000815032497 660104630 /nfs/dbraw/zinc/10/46/30/660104630.db2.gz HQCPYWQLHQMPRF-KGLIPLIRSA-N -1 1 378.809 2.623 20 5 GFBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000817146759 660183439 /nfs/dbraw/zinc/18/34/39/660183439.db2.gz UPRHJARGMOREPS-GHMZBOCLSA-N -1 1 393.259 2.593 20 5 GFBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)O1 ZINC000841558478 661300572 /nfs/dbraw/zinc/30/05/72/661300572.db2.gz AXVSEYCRLFKXTG-VGMNWLOBSA-N -1 1 383.253 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(Cl)cc1Cl ZINC000841574553 661305936 /nfs/dbraw/zinc/30/59/36/661305936.db2.gz UPXUWCLMXCAVBC-IUCAKERBSA-N -1 1 383.253 2.731 20 5 GFBDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000845968489 661512287 /nfs/dbraw/zinc/51/22/87/661512287.db2.gz MQMDXOXONAQJNI-WPRPVWTQSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2SCCS2)c(Cl)cc1Cl ZINC000851835536 661837124 /nfs/dbraw/zinc/83/71/24/661837124.db2.gz ZHPDMCPVNKVIEG-UHFFFAOYSA-N -1 1 389.307 2.986 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859341120 662153901 /nfs/dbraw/zinc/15/39/01/662153901.db2.gz MBDLBBPPUQVGAL-WEJSYRTGSA-N -1 1 383.253 2.992 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C ZINC000152212620 551428411 /nfs/dbraw/zinc/42/84/11/551428411.db2.gz YDBQMCLDMMMHQJ-UHFFFAOYSA-N -1 1 375.859 2.843 20 5 GFBDMM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000190549956 552500967 /nfs/dbraw/zinc/50/09/67/552500967.db2.gz IIPKMPVIWNRMFL-BLLLJJGKSA-N -1 1 384.479 2.564 20 5 GFBDMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193464646 552994095 /nfs/dbraw/zinc/99/40/95/552994095.db2.gz HFBSABMQKGFNER-SECBINFHSA-N -1 1 380.198 2.819 20 5 GFBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000416614597 563853904 /nfs/dbraw/zinc/85/39/04/563853904.db2.gz IMNASBFFSXBVNY-SECBINFHSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c1Cl ZINC000295227238 563236730 /nfs/dbraw/zinc/23/67/30/563236730.db2.gz YOMHLRNKIURFCQ-PSASIEDQSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1Cl ZINC000295227239 563236962 /nfs/dbraw/zinc/23/69/62/563236962.db2.gz YOMHLRNKIURFCQ-SCZZXKLOSA-N -1 1 383.253 2.731 20 5 GFBDMM Cc1noc(CCC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000295813631 563264056 /nfs/dbraw/zinc/26/40/56/563264056.db2.gz XEVMIOSPRGDZNQ-UHFFFAOYSA-N -1 1 395.224 2.504 20 5 GFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1[O-] ZINC000436789518 563680015 /nfs/dbraw/zinc/68/00/15/563680015.db2.gz DKDKPSOBRXXEEN-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1Br ZINC000414474300 563743560 /nfs/dbraw/zinc/74/35/60/563743560.db2.gz XLQYEHUHYIWWMS-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416600919 563851826 /nfs/dbraw/zinc/85/18/26/563851826.db2.gz YEOBQVMXXLBAOB-NXEZZACHSA-N -1 1 381.223 2.916 20 5 GFBDMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542242245 564306802 /nfs/dbraw/zinc/30/68/02/564306802.db2.gz VHVKRPHBVWJLOZ-NSHDSACASA-N -1 1 388.829 2.767 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545551029 564427379 /nfs/dbraw/zinc/42/73/79/564427379.db2.gz PWTRTUXNMLZTIN-VIFPVBQESA-N -1 1 380.407 2.746 20 5 GFBDMM CC[C@@](C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547892015 564516655 /nfs/dbraw/zinc/51/66/55/564516655.db2.gz SWBPVKFVILIMBS-LBPRGKRZSA-N -1 1 385.225 2.681 20 5 GFBDMM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548540122 564556868 /nfs/dbraw/zinc/55/68/68/564556868.db2.gz AKPQRPFOZOVEGG-ZWNOBZJWSA-N -1 1 397.236 2.823 20 5 GFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000527287411 564737471 /nfs/dbraw/zinc/73/74/71/564737471.db2.gz BJRUPTLUPVRAPG-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM CCc1ncc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000460769626 564780115 /nfs/dbraw/zinc/78/01/15/564780115.db2.gz NWGFAHGSXQVORV-UHFFFAOYSA-N -1 1 379.423 2.805 20 5 GFBDMM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000536086602 565028944 /nfs/dbraw/zinc/02/89/44/565028944.db2.gz WETATVNOVLAJQJ-UHFFFAOYSA-N -1 1 386.451 2.585 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c(C)c1[N+](=O)[O-] ZINC000598712746 565637135 /nfs/dbraw/zinc/63/71/35/565637135.db2.gz JCKVDOBEFJGXNW-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000818820436 596936355 /nfs/dbraw/zinc/93/63/55/596936355.db2.gz IMYZBIPTRWYHSL-UHFFFAOYSA-N -1 1 384.797 2.985 20 5 GFBDMM Cc1n[nH]c(C(=O)N(Cc2ccoc2C(=O)[O-])[C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000738249192 599748753 /nfs/dbraw/zinc/74/87/53/599748753.db2.gz QBNOLFOWEHAHMG-NSHDSACASA-N -1 1 399.363 2.716 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000753078750 601988205 /nfs/dbraw/zinc/98/82/05/601988205.db2.gz LIWJDTPQEDVCOQ-UHFFFAOYSA-N -1 1 384.797 2.985 20 5 GFBDMM CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828115670 603835864 /nfs/dbraw/zinc/83/58/64/603835864.db2.gz WKVLFOVWHOUCJN-UHFFFAOYSA-N -1 1 384.820 2.697 20 5 GFBDMM COc1ccc(C[C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000821789929 606712587 /nfs/dbraw/zinc/71/25/87/606712587.db2.gz CIRDQVWKVVIPLB-CQSZACIVSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1ccc(C[C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000821789929 606712589 /nfs/dbraw/zinc/71/25/89/606712589.db2.gz CIRDQVWKVVIPLB-CQSZACIVSA-N -1 1 395.423 2.638 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000823621134 606714344 /nfs/dbraw/zinc/71/43/44/606714344.db2.gz WLJHBBGPLCAYJW-GFCCVEGCSA-N -1 1 383.437 2.789 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000823621134 606714346 /nfs/dbraw/zinc/71/43/46/606714346.db2.gz WLJHBBGPLCAYJW-GFCCVEGCSA-N -1 1 383.437 2.789 20 5 GFBDMM O=C(Nc1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000826457345 607839836 /nfs/dbraw/zinc/83/98/36/607839836.db2.gz XFUAHHPDOZNKHQ-UHFFFAOYSA-N -1 1 393.407 2.630 20 5 GFBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830548387 660662826 /nfs/dbraw/zinc/66/28/26/660662826.db2.gz AFLFTISXJYZFMA-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1Cl ZINC000830667782 660671043 /nfs/dbraw/zinc/67/10/43/660671043.db2.gz IEHPKGYMSSIGQO-RKDXNWHRSA-N -1 1 383.253 2.731 20 5 GFBDMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830972553 660688941 /nfs/dbraw/zinc/68/89/41/660688941.db2.gz PFXOQWVLMMCNMP-MRVPVSSYSA-N -1 1 399.252 2.912 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c1Cl ZINC000831339830 660708447 /nfs/dbraw/zinc/70/84/47/660708447.db2.gz XLAOFWSEXOKWQP-VIFPVBQESA-N -1 1 383.253 2.731 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000027972897 654568109 /nfs/dbraw/zinc/56/81/09/654568109.db2.gz NDPDPWJUHGFVFB-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129178438 654859439 /nfs/dbraw/zinc/85/94/39/654859439.db2.gz PWRWHKHYKXQVOU-ABAIWWIYSA-N -1 1 384.841 2.519 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000130523189 654889970 /nfs/dbraw/zinc/88/99/70/654889970.db2.gz UDWNSQCBPLNDNK-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000269102065 654997967 /nfs/dbraw/zinc/99/79/67/654997967.db2.gz ACYPXAMQIVGNPC-SMDDNHRTSA-N -1 1 392.886 2.581 20 5 GFBDMM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000171084748 655148333 /nfs/dbraw/zinc/14/83/33/655148333.db2.gz VKVYKCKFIMBTEF-UHFFFAOYSA-N -1 1 388.833 2.666 20 5 GFBDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000115313279 655234644 /nfs/dbraw/zinc/23/46/44/655234644.db2.gz AAVJVPKGCCJVLI-QHCPKHFHSA-N -1 1 388.854 2.928 20 5 GFBDMM COc1ccc(S(=O)(=O)[N-]c2cccnc2Br)c([N+](=O)[O-])c1 ZINC000121391385 655349587 /nfs/dbraw/zinc/34/95/87/655349587.db2.gz ARTRUFODQYASBB-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000733122926 655608262 /nfs/dbraw/zinc/60/82/62/655608262.db2.gz IVAHWDQGNSYNKP-UHFFFAOYSA-N -1 1 383.813 2.685 20 5 GFBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000751990272 655838121 /nfs/dbraw/zinc/83/81/21/655838121.db2.gz VQXIGFPJSHHOSE-LLVKDONJSA-N -1 1 378.834 2.648 20 5 GFBDMM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000756973649 655908126 /nfs/dbraw/zinc/90/81/26/655908126.db2.gz UJKDVVKYXSEEAK-CQSZACIVSA-N -1 1 381.841 2.713 20 5 GFBDMM Cn1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000759139162 655948754 /nfs/dbraw/zinc/94/87/54/655948754.db2.gz WLHONBHNCNTFHO-UHFFFAOYSA-N -1 1 380.813 2.613 20 5 GFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000777532810 656827862 /nfs/dbraw/zinc/82/78/62/656827862.db2.gz LJOALBGCRAXGEB-WPPNPWJKSA-N -1 1 386.191 2.854 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000798473058 659110846 /nfs/dbraw/zinc/11/08/46/659110846.db2.gz AGBGELLOKRJVRF-GFCCVEGCSA-N -1 1 376.862 2.715 20 5 GFBDMM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC1CCCCC1 ZINC000800970035 659360738 /nfs/dbraw/zinc/36/07/38/659360738.db2.gz VAVLEGCQOODEAU-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)cc1Cl ZINC000809807037 659939999 /nfs/dbraw/zinc/93/99/99/659939999.db2.gz ISPFYCFETJAOPU-UHFFFAOYSA-N -1 1 394.730 2.635 20 5 GFBDMM CCC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809808031 659940382 /nfs/dbraw/zinc/94/03/82/659940382.db2.gz WURFFNZZCMZEEA-CYBMUJFWSA-N -1 1 399.252 2.912 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)cc1Cl ZINC000809821393 659943217 /nfs/dbraw/zinc/94/32/17/659943217.db2.gz RMFGNZPSIURRLG-CQSZACIVSA-N -1 1 388.804 2.789 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000809827224 659945020 /nfs/dbraw/zinc/94/50/20/659945020.db2.gz HMHSPLKAKSULLB-IINYFYTJSA-N -1 1 394.852 2.997 20 5 GFBDMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828484 659945303 /nfs/dbraw/zinc/94/53/03/659945303.db2.gz NESIPHKULIWIKV-QMMMGPOBSA-N -1 1 399.252 2.769 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)cc1Cl ZINC000809842499 659947978 /nfs/dbraw/zinc/94/79/78/659947978.db2.gz FPLWNGAPHJCAIV-LLVKDONJSA-N -1 1 394.852 2.854 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(Cl)cc1Cl ZINC000810116089 659962865 /nfs/dbraw/zinc/96/28/65/659962865.db2.gz SSEGGHFWPXYWDH-NSHDSACASA-N -1 1 383.253 2.731 20 5 GFBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000815018063 660102144 /nfs/dbraw/zinc/10/21/44/660102144.db2.gz FBTSYSBXZHBDJK-SECBINFHSA-N -1 1 396.824 2.501 20 5 GFBDMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021596 660102684 /nfs/dbraw/zinc/10/26/84/660102684.db2.gz HVYMKYYJFYRNOU-JTQLQIEISA-N -1 1 382.841 2.710 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])sc1C ZINC000815024534 660103380 /nfs/dbraw/zinc/10/33/80/660103380.db2.gz FNZSDYTZYZJBEX-UHFFFAOYSA-N -1 1 393.849 2.982 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000841551119 661297354 /nfs/dbraw/zinc/29/73/54/661297354.db2.gz BGRVPSBFTAVCDH-MIMYLULJSA-N -1 1 375.244 2.824 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(Cl)cc1Cl ZINC000841574549 661305884 /nfs/dbraw/zinc/30/58/84/661305884.db2.gz UPXUWCLMXCAVBC-BDAKNGLRSA-N -1 1 383.253 2.731 20 5 GFBDMM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000162919127 551614342 /nfs/dbraw/zinc/61/43/42/551614342.db2.gz DNNZNXKFHYRMMN-RKDXNWHRSA-N -1 1 393.259 2.592 20 5 GFBDMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295801994 563263292 /nfs/dbraw/zinc/26/32/92/563263292.db2.gz BAXKAQUFXDETJI-DTWKUNHWSA-N -1 1 383.253 2.853 20 5 GFBDMM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000425188447 563409383 /nfs/dbraw/zinc/40/93/83/563409383.db2.gz JEUCGJDGHXLCHO-UHFFFAOYSA-N -1 1 378.472 2.693 20 5 GFBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289210257 563672479 /nfs/dbraw/zinc/67/24/79/563672479.db2.gz SMYQUDNHVYDYJH-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000538757406 564200679 /nfs/dbraw/zinc/20/06/79/564200679.db2.gz LQFPWFBLOOTGPL-UHFFFAOYSA-N -1 1 378.781 2.822 20 5 GFBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000472201087 564216629 /nfs/dbraw/zinc/21/66/29/564216629.db2.gz NIHOYZFYLDFYFM-UHFFFAOYSA-N -1 1 395.275 2.577 20 5 GFBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1 ZINC000574495057 564675961 /nfs/dbraw/zinc/67/59/61/564675961.db2.gz KPULRSALIGQVOG-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000582823300 564863556 /nfs/dbraw/zinc/86/35/56/564863556.db2.gz IHKSRPLPAHQCGN-NWDGAFQWSA-N -1 1 398.238 2.587 20 5 GFBDMM CCCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352716 565467692 /nfs/dbraw/zinc/46/76/92/565467692.db2.gz BZFSWTNZKCOPMN-SNVBAGLBSA-N -1 1 382.269 2.664 20 5 GFBDMM O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000739874674 599927017 /nfs/dbraw/zinc/92/70/17/599927017.db2.gz VSQMCSPJAOZBMK-UHFFFAOYSA-N -1 1 382.419 2.713 20 5 GFBDMM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000740240302 600228801 /nfs/dbraw/zinc/22/88/01/600228801.db2.gz TXVVYKRXHCIKQJ-OAHLLOKOSA-N -1 1 395.415 2.808 20 5 GFBDMM COc1cc(OC)cc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832058315 602168936 /nfs/dbraw/zinc/16/89/36/602168936.db2.gz YTKJXYLNVKCIIE-KRWDZBQOSA-N -1 1 376.365 2.536 20 5 GFBDMM CC(C)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824352780 607574971 /nfs/dbraw/zinc/57/49/71/607574971.db2.gz NAXUWYZJUSOWGG-UHFFFAOYSA-N -1 1 389.393 2.666 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097432 604930303 /nfs/dbraw/zinc/93/03/03/604930303.db2.gz OGVRVYCXRYQXPZ-QWHCGFSZSA-N -1 1 378.429 2.937 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097430 604930477 /nfs/dbraw/zinc/93/04/77/604930477.db2.gz OGVRVYCXRYQXPZ-CHWSQXEVSA-N -1 1 378.429 2.937 20 5 GFBDMM CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H]1C ZINC000833658037 605174425 /nfs/dbraw/zinc/17/44/25/605174425.db2.gz QEIAHGBTPRCPET-QWHCGFSZSA-N -1 1 395.481 2.716 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000834177079 605439860 /nfs/dbraw/zinc/43/98/60/605439860.db2.gz APLXFWHZOJYLTI-BPLDGKMQSA-N -1 1 387.396 2.513 20 5 GFBDMM Cc1cc(C)c(NC(=O)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(C)c1 ZINC000822194040 606644767 /nfs/dbraw/zinc/64/47/67/606644767.db2.gz GPCLIYKUPYHXLB-UHFFFAOYSA-N -1 1 381.396 2.751 20 5 GFBDMM Cc1ccccc1C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOCC1 ZINC000822352417 606701765 /nfs/dbraw/zinc/70/17/65/606701765.db2.gz ZCBLMKALPWKQOJ-UHFFFAOYSA-N -1 1 395.423 2.639 20 5 GFBDMM Cc1ccccc1C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOCC1 ZINC000822352417 606701767 /nfs/dbraw/zinc/70/17/67/606701767.db2.gz ZCBLMKALPWKQOJ-UHFFFAOYSA-N -1 1 395.423 2.639 20 5 GFBDMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822205931 606711349 /nfs/dbraw/zinc/71/13/49/606711349.db2.gz NTLHBRXHQQUUQB-CYBMUJFWSA-N -1 1 398.402 2.698 20 5 GFBDMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822205931 606711351 /nfs/dbraw/zinc/71/13/51/606711351.db2.gz NTLHBRXHQQUUQB-CYBMUJFWSA-N -1 1 398.402 2.698 20 5 GFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820461931 606711514 /nfs/dbraw/zinc/71/15/14/606711514.db2.gz SVNHHGHVTOQQGJ-JTQLQIEISA-N -1 1 378.352 2.998 20 5 GFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820461931 606711515 /nfs/dbraw/zinc/71/15/15/606711515.db2.gz SVNHHGHVTOQQGJ-JTQLQIEISA-N -1 1 378.352 2.998 20 5 GFBDMM Cc1ccc(OC(F)F)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822263456 606719708 /nfs/dbraw/zinc/71/97/08/606719708.db2.gz PEUKUPUJZXKGQI-UHFFFAOYSA-N -1 1 377.311 2.692 20 5 GFBDMM Cc1ccc(OC(F)F)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822263456 606719709 /nfs/dbraw/zinc/71/97/09/606719709.db2.gz PEUKUPUJZXKGQI-UHFFFAOYSA-N -1 1 377.311 2.692 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1cc2ccccc2s1 ZINC000823620218 606720852 /nfs/dbraw/zinc/72/08/52/606720852.db2.gz IGVQIPCYONLCFZ-NSHDSACASA-N -1 1 383.393 2.530 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1cc2ccccc2s1 ZINC000823620218 606720854 /nfs/dbraw/zinc/72/08/54/606720854.db2.gz IGVQIPCYONLCFZ-NSHDSACASA-N -1 1 383.393 2.530 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821679142 606880854 /nfs/dbraw/zinc/88/08/54/606880854.db2.gz XSODNMXPHRHXQK-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821679142 606880856 /nfs/dbraw/zinc/88/08/56/606880856.db2.gz XSODNMXPHRHXQK-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1Cl ZINC000822331310 607123029 /nfs/dbraw/zinc/12/30/29/607123029.db2.gz CQIOGVJDSBKESD-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM CCCCC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821050903 607144365 /nfs/dbraw/zinc/14/43/65/607144365.db2.gz VLOSKEDOHACUOB-LBPRGKRZSA-N -1 1 394.457 2.508 20 5 GFBDMM COc1ccc2cc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2c1 ZINC000821854453 607166003 /nfs/dbraw/zinc/16/60/03/607166003.db2.gz JZFTWDMOCBPBBS-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM COc1ccc2cc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2c1 ZINC000821854453 607166004 /nfs/dbraw/zinc/16/60/04/607166004.db2.gz JZFTWDMOCBPBBS-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497640 660455512 /nfs/dbraw/zinc/45/55/12/660455512.db2.gz OBSKEHDQRXBZHD-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826497640 660455513 /nfs/dbraw/zinc/45/55/13/660455513.db2.gz OBSKEHDQRXBZHD-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830754958 660678113 /nfs/dbraw/zinc/67/81/13/660678113.db2.gz RTUOXBOJDITOLT-IUCAKERBSA-N -1 1 385.269 2.977 20 5 GFBDMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830973018 660689291 /nfs/dbraw/zinc/68/92/91/660689291.db2.gz XUQNKDORECHMMB-MRVPVSSYSA-N -1 1 399.252 2.769 20 5 GFBDMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000832179698 660760828 /nfs/dbraw/zinc/76/08/28/660760828.db2.gz CPYOLTBGWZVHKB-RISCZKNCSA-N -1 1 376.862 2.978 20 5 GFBDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000832523503 660784116 /nfs/dbraw/zinc/78/41/16/660784116.db2.gz HHQYQGPLSODNKZ-CPFSXVBKSA-N -1 1 383.253 2.993 20 5 GFBDMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832550508 660785527 /nfs/dbraw/zinc/78/55/27/660785527.db2.gz QTEZMXKWKABDIK-ZETCQYMHSA-N -1 1 385.225 2.520 20 5 GFBDMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000012968662 654502705 /nfs/dbraw/zinc/50/27/05/654502705.db2.gz RRNQDUUGYZRIDM-UHFFFAOYSA-N -1 1 381.797 2.568 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000058120323 654815665 /nfs/dbraw/zinc/81/56/65/654815665.db2.gz GOAUDQGWOXYREW-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153931804 655071692 /nfs/dbraw/zinc/07/16/92/655071692.db2.gz AFQBTXZFXNGFDP-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM CSC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173238547 655165406 /nfs/dbraw/zinc/16/54/06/655165406.db2.gz VMAZHEZTYOOSGV-UHFFFAOYSA-N -1 1 383.289 2.777 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000173985734 655188267 /nfs/dbraw/zinc/18/82/67/655188267.db2.gz GXTACVCMXVFAAJ-NSHDSACASA-N -1 1 376.843 2.976 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000116712294 655252260 /nfs/dbraw/zinc/25/22/60/655252260.db2.gz DIPUFJYBNHNUJS-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000120097604 655327604 /nfs/dbraw/zinc/32/76/04/655327604.db2.gz NDNMAPQZMRVMKK-ZDUSSCGKSA-N -1 1 384.479 2.966 20 5 GFBDMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246485110 655430157 /nfs/dbraw/zinc/43/01/57/655430157.db2.gz ARFGBAQLKPTOPA-WCBZVUCDSA-N -1 1 394.902 2.606 20 5 GFBDMM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742311597 655715253 /nfs/dbraw/zinc/71/52/53/655715253.db2.gz CUBJFSQMMLNIBE-UHFFFAOYSA-N -1 1 383.813 2.685 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1Cl ZINC000751440869 655827616 /nfs/dbraw/zinc/82/76/16/655827616.db2.gz IWDWOHWYWBFWTC-LLVKDONJSA-N -1 1 392.767 2.538 20 5 GFBDMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768809269 656252258 /nfs/dbraw/zinc/25/22/58/656252258.db2.gz HQVFQCFRTYGDEK-CYBMUJFWSA-N -1 1 384.435 2.629 20 5 GFBDMM COCCCOc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768866674 656257685 /nfs/dbraw/zinc/25/76/85/656257685.db2.gz OJSOGVJIJUMWNE-UHFFFAOYSA-N -1 1 386.451 2.550 20 5 GFBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502199 656351386 /nfs/dbraw/zinc/35/13/86/656351386.db2.gz FUBBEIHKVRBOKG-UHFFFAOYSA-N -1 1 376.301 2.722 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1[N+](=O)[O-] ZINC000777971108 656848299 /nfs/dbraw/zinc/84/82/99/656848299.db2.gz GEVLVADGDBQOQV-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785402796 657361841 /nfs/dbraw/zinc/36/18/41/657361841.db2.gz QYWHJOICACGFQQ-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)cc1Cl ZINC000786974161 657499840 /nfs/dbraw/zinc/49/98/40/657499840.db2.gz BEKZZAPLMRNWIT-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788215830 657673547 /nfs/dbraw/zinc/67/35/47/657673547.db2.gz ARHCCEVQMYXNJM-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000788490492 657729318 /nfs/dbraw/zinc/72/93/18/657729318.db2.gz HQJUHPNKIZAQGV-ZDUSSCGKSA-N -1 1 383.451 2.842 20 5 GFBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791430708 658097308 /nfs/dbraw/zinc/09/73/08/658097308.db2.gz DZXZWFGNFNRUDT-UHFFFAOYSA-N -1 1 392.220 2.710 20 5 GFBDMM COCCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000796008056 658879874 /nfs/dbraw/zinc/87/98/74/658879874.db2.gz XAAZBKPIKMRUPD-UHFFFAOYSA-N -1 1 386.451 2.550 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)cc1Cl ZINC000798228044 659086458 /nfs/dbraw/zinc/08/64/58/659086458.db2.gz FKIJDDLCFPMDLF-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccn1 ZINC000809389807 659925755 /nfs/dbraw/zinc/92/57/55/659925755.db2.gz RQPMDFOIIOLUNQ-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)cc1Cl ZINC000809819450 659942412 /nfs/dbraw/zinc/94/24/12/659942412.db2.gz UPRPTTXRNFVDMX-ZDUSSCGKSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c(Cl)cc1Cl ZINC000809826832 659944995 /nfs/dbraw/zinc/94/49/95/659944995.db2.gz RZJKSMNCVQGYNZ-JTQLQIEISA-N -1 1 391.236 2.981 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)c(Cl)cc1Cl ZINC000809830161 659946122 /nfs/dbraw/zinc/94/61/22/659946122.db2.gz OCQOPMAGCBJOMX-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809833290 659946960 /nfs/dbraw/zinc/94/69/60/659946960.db2.gz RVVVLCIHLFEGRF-ZDUSSCGKSA-N -1 1 397.280 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000815027836 660103966 /nfs/dbraw/zinc/10/39/66/660103966.db2.gz LIFUHXDLMSYTBM-QMTHXVAHSA-N -1 1 394.852 2.997 20 5 GFBDMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815034048 660104955 /nfs/dbraw/zinc/10/49/55/660104955.db2.gz BQWXLBKSADYVRJ-JOAKQRRISA-N -1 1 394.808 2.564 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000845976731 661515829 /nfs/dbraw/zinc/51/58/29/661515829.db2.gz CWJRRQWMSPLKPH-OAHLLOKOSA-N -1 1 392.836 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1Cl ZINC000859367326 662156863 /nfs/dbraw/zinc/15/68/63/662156863.db2.gz CHMWHBUHGBKSCY-LDYMZIIASA-N -1 1 381.237 2.747 20 5 GFBDMM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br ZINC000031931994 551130692 /nfs/dbraw/zinc/13/06/92/551130692.db2.gz AZECJKKCGZUFJB-QMMMGPOBSA-N -1 1 396.197 2.545 20 5 GFBDMM COc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1OC ZINC000056118501 551177143 /nfs/dbraw/zinc/17/71/43/551177143.db2.gz DEBNAXCJIPCIDS-UHFFFAOYSA-N -1 1 386.813 2.744 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000146713631 551397159 /nfs/dbraw/zinc/39/71/59/551397159.db2.gz ZGEWNLXSJBJXNP-CYBMUJFWSA-N -1 1 389.886 2.891 20 5 GFBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000158885456 551558025 /nfs/dbraw/zinc/55/80/25/551558025.db2.gz ORFNECMWTFZNKO-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000190549920 552500768 /nfs/dbraw/zinc/50/07/68/552500768.db2.gz IIPKMPVIWNRMFL-LRDDRELGSA-N -1 1 384.479 2.564 20 5 GFBDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279561941 563301052 /nfs/dbraw/zinc/30/10/52/563301052.db2.gz XRGIHWIRCNLTMH-UHFFFAOYSA-N -1 1 380.209 2.985 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000372721744 563315122 /nfs/dbraw/zinc/31/51/22/563315122.db2.gz DRMWIPCJFBPHIM-IINYFYTJSA-N -1 1 382.825 2.747 20 5 GFBDMM CC(C)(CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000424387657 563377507 /nfs/dbraw/zinc/37/75/07/563377507.db2.gz GMZAXCRANAHBHM-UHFFFAOYSA-N -1 1 385.225 2.681 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1[N+](=O)[O-] ZINC000392235830 563526009 /nfs/dbraw/zinc/52/60/09/563526009.db2.gz WFLCTRZDAXRNOU-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])OCCc2sccc21 ZINC000290222125 563701718 /nfs/dbraw/zinc/70/17/18/563701718.db2.gz WOWXXSLXYANECO-HNNXBMFYSA-N -1 1 386.426 2.562 20 5 GFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938005 563815598 /nfs/dbraw/zinc/81/55/98/563815598.db2.gz VGPNPHUXSYSTQD-JVXZTZIISA-N -1 1 388.339 2.998 20 5 GFBDMM CCOC(=O)C(=C([O-])CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108935 563894226 /nfs/dbraw/zinc/89/42/26/563894226.db2.gz SBRNSQUWHMSMMC-CYBMUJFWSA-N -1 1 381.435 2.763 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000539386432 564218436 /nfs/dbraw/zinc/21/84/36/564218436.db2.gz AQDKBAOUPFIIBW-LBPRGKRZSA-N -1 1 383.813 2.835 20 5 GFBDMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000540880484 564259403 /nfs/dbraw/zinc/25/94/03/564259403.db2.gz MUHVQSJYFZPQJC-UHFFFAOYSA-N -1 1 385.785 2.578 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451858618 564359361 /nfs/dbraw/zinc/35/93/61/564359361.db2.gz RXNXDDMBRVQFAZ-SMDDNHRTSA-N -1 1 378.878 2.816 20 5 GFBDMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379054 564477612 /nfs/dbraw/zinc/47/76/12/564477612.db2.gz FVRPAYXDBWKJFE-ONGXEEELSA-N -1 1 378.834 2.504 20 5 GFBDMM O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000524131005 564677584 /nfs/dbraw/zinc/67/75/84/564677584.db2.gz XOVZBTKBYZSECL-UHFFFAOYSA-N -1 1 377.158 2.723 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000488983084 564725939 /nfs/dbraw/zinc/72/59/39/564725939.db2.gz ZQPLPQRZGIOWFK-UHFFFAOYSA-N -1 1 385.239 2.878 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000555413692 564792624 /nfs/dbraw/zinc/79/26/24/564792624.db2.gz YUGBPJGXCXXPEW-LBPRGKRZSA-N -1 1 376.862 2.715 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000531333899 564907629 /nfs/dbraw/zinc/90/76/29/564907629.db2.gz ZZEMSPSUBDVQGB-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000499675930 564933245 /nfs/dbraw/zinc/93/32/45/564933245.db2.gz LMYCSOYKBOCIKN-MEBBXXQBSA-N -1 1 384.845 2.678 20 5 GFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000468518590 564985639 /nfs/dbraw/zinc/98/56/39/564985639.db2.gz SLSVRMPZUNLLNL-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(Br)c1 ZINC000588144919 565128545 /nfs/dbraw/zinc/12/85/45/565128545.db2.gz ZJJALMPPFJPHCR-SNVBAGLBSA-N -1 1 385.186 2.823 20 5 GFBDMM COCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000594801067 565423045 /nfs/dbraw/zinc/42/30/45/565423045.db2.gz BIUAAJUSQJPYOV-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000594850817 565429091 /nfs/dbraw/zinc/42/90/91/565429091.db2.gz FWUZBCXPEJYMIZ-ONGXEEELSA-N -1 1 393.259 2.593 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000611469398 566131049 /nfs/dbraw/zinc/13/10/49/566131049.db2.gz WDVWOIRLKNEJTF-SKDRFNHKSA-N -1 1 393.259 2.593 20 5 GFBDMM Nc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739203317 600052038 /nfs/dbraw/zinc/05/20/38/600052038.db2.gz PIELKPHXGOUMCH-UHFFFAOYSA-N -1 1 393.402 2.891 20 5 GFBDMM CCC(CC)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825097094 607451793 /nfs/dbraw/zinc/45/17/93/607451793.db2.gz SYTRSDFGHBTMBD-UHFFFAOYSA-N -1 1 387.444 2.614 20 5 GFBDMM CCC(CC)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825097094 607451796 /nfs/dbraw/zinc/45/17/96/607451796.db2.gz SYTRSDFGHBTMBD-UHFFFAOYSA-N -1 1 387.444 2.614 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)cc1-c1nnn[n-]1 ZINC000826498589 607452532 /nfs/dbraw/zinc/45/25/32/607452532.db2.gz BPCJLNMAHZBLCV-UHFFFAOYSA-N -1 1 385.331 2.905 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)cc1-c1nn[n-]n1 ZINC000826498589 607452534 /nfs/dbraw/zinc/45/25/34/607452534.db2.gz BPCJLNMAHZBLCV-UHFFFAOYSA-N -1 1 385.331 2.905 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832905110 601475367 /nfs/dbraw/zinc/47/53/67/601475367.db2.gz CJBUQOTXNHSXIK-UHFFFAOYSA-N -1 1 395.349 2.619 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000832097475 602308297 /nfs/dbraw/zinc/30/82/97/602308297.db2.gz AVBWCYJJOOLGEI-UHFFFAOYSA-N -1 1 385.329 2.633 20 5 GFBDMM Cc1cc(N2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891011 602316965 /nfs/dbraw/zinc/31/69/65/602316965.db2.gz HMXUUVXVAZSJFB-KXBFYZLASA-N -1 1 399.447 2.846 20 5 GFBDMM Cc1cccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[n-]n1 ZINC000826303827 607659531 /nfs/dbraw/zinc/65/95/31/607659531.db2.gz HJASNPBYRFMPBK-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000827097188 604884624 /nfs/dbraw/zinc/88/46/24/604884624.db2.gz HCUUSPFBTREUKV-UHFFFAOYSA-N -1 1 380.788 2.822 20 5 GFBDMM CC1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2O1 ZINC000833564934 605327207 /nfs/dbraw/zinc/32/72/07/605327207.db2.gz YOUISJQYJBMZRI-UHFFFAOYSA-N -1 1 394.361 2.601 20 5 GFBDMM O=C([O-])N1CCC2(CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)CC1 ZINC000834092113 605897945 /nfs/dbraw/zinc/89/79/45/605897945.db2.gz QAMSQSNLZJYRNH-UHFFFAOYSA-N -1 1 387.396 2.611 20 5 GFBDMM CC(C)CC(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820050817 606702488 /nfs/dbraw/zinc/70/24/88/606702488.db2.gz GRGCVJMPCOEARI-UHFFFAOYSA-N -1 1 396.411 2.767 20 5 GFBDMM CC(C)CC(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820050817 606702490 /nfs/dbraw/zinc/70/24/90/606702490.db2.gz GRGCVJMPCOEARI-UHFFFAOYSA-N -1 1 396.411 2.767 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(Br)c1 ZINC000823624783 606703789 /nfs/dbraw/zinc/70/37/89/606703789.db2.gz JITIPOQLDHPRAJ-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(Br)c1 ZINC000823624783 606703792 /nfs/dbraw/zinc/70/37/92/606703792.db2.gz JITIPOQLDHPRAJ-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM Cc1ccc(C[C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000822234868 606705097 /nfs/dbraw/zinc/70/50/97/606705097.db2.gz JUEQFPXYQRKHDU-OAHLLOKOSA-N -1 1 379.424 2.937 20 5 GFBDMM Cc1ccc(C[C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822234868 606705098 /nfs/dbraw/zinc/70/50/98/606705098.db2.gz JUEQFPXYQRKHDU-OAHLLOKOSA-N -1 1 379.424 2.937 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621151 606712984 /nfs/dbraw/zinc/71/29/84/606712984.db2.gz XDGAYTFQEIZEMF-KCJUWKMLSA-N -1 1 375.751 2.930 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621151 606712986 /nfs/dbraw/zinc/71/29/86/606712986.db2.gz XDGAYTFQEIZEMF-KCJUWKMLSA-N -1 1 375.751 2.930 20 5 GFBDMM CCc1onc(C)c1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000825776361 608160976 /nfs/dbraw/zinc/16/09/76/608160976.db2.gz HBAXYIOURQXSOH-UHFFFAOYSA-N -1 1 377.748 2.539 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc3ccccc3s2)s1 ZINC000126417005 654813830 /nfs/dbraw/zinc/81/38/30/654813830.db2.gz ANCGSDJUMZGUKL-JTQLQIEISA-N -1 1 384.460 2.883 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000134058165 654981879 /nfs/dbraw/zinc/98/18/79/654981879.db2.gz NUKUMMWBGLHERI-UHFFFAOYSA-N -1 1 381.797 2.852 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000269102063 654997888 /nfs/dbraw/zinc/99/78/88/654997888.db2.gz ACYPXAMQIVGNPC-FZMZJTMJSA-N -1 1 392.886 2.581 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000120900214 655346521 /nfs/dbraw/zinc/34/65/21/655346521.db2.gz LHPWWFFYDGVKRQ-CYBMUJFWSA-N -1 1 391.232 2.914 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000120902375 655346612 /nfs/dbraw/zinc/34/66/12/655346612.db2.gz ZWVYYBLLSFQNAN-CYBMUJFWSA-N -1 1 391.232 2.914 20 5 GFBDMM COc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000292897034 655356358 /nfs/dbraw/zinc/35/63/58/655356358.db2.gz VRHFWQISXKEMBU-JTQLQIEISA-N -1 1 397.356 2.642 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000751421797 655826800 /nfs/dbraw/zinc/82/68/00/655826800.db2.gz GNGVJAMQMNIHTK-LLVKDONJSA-N -1 1 392.767 2.538 20 5 GFBDMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000751451437 655828178 /nfs/dbraw/zinc/82/81/78/655828178.db2.gz TWLKIYVMEDAHGG-HNNXBMFYSA-N -1 1 388.829 2.644 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000753081877 655850235 /nfs/dbraw/zinc/85/02/35/655850235.db2.gz VLOKCEJVAQBMHP-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000768864837 656257407 /nfs/dbraw/zinc/25/74/07/656257407.db2.gz CVJAJURJDNUENQ-UHFFFAOYSA-N -1 1 378.334 2.522 20 5 GFBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778594268 656885400 /nfs/dbraw/zinc/88/54/00/656885400.db2.gz BOSTVQDDEKAOHD-UHFFFAOYSA-N -1 1 391.877 2.565 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H](O)C(F)(F)F ZINC000779918497 656964935 /nfs/dbraw/zinc/96/49/35/656964935.db2.gz URHFZUNJJDPZIR-HQJQHLMTSA-N -1 1 390.767 2.537 20 5 GFBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000798228987 659087274 /nfs/dbraw/zinc/08/72/74/659087274.db2.gz VOWDFNKSQPZMBB-UHFFFAOYSA-N -1 1 393.849 2.927 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000798473059 659110721 /nfs/dbraw/zinc/11/07/21/659110721.db2.gz AGBGELLOKRJVRF-LBPRGKRZSA-N -1 1 376.862 2.715 20 5 GFBDMM Cc1nn2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cnc2c1Cl ZINC000800928044 659350898 /nfs/dbraw/zinc/35/08/98/659350898.db2.gz GISMBDGFDPGAJB-UHFFFAOYSA-N -1 1 385.764 2.539 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccccn2)c1Cl ZINC000809395095 659926514 /nfs/dbraw/zinc/92/65/14/659926514.db2.gz HTZXNETZZAGZBQ-UHFFFAOYSA-N -1 1 391.236 2.687 20 5 GFBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824201 659944002 /nfs/dbraw/zinc/94/40/02/659944002.db2.gz KNTVEJFVWOQDGN-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831857 659946744 /nfs/dbraw/zinc/94/67/44/659946744.db2.gz IJJPEYRGFKVQAR-YUMQZZPRSA-N -1 1 399.252 2.768 20 5 GFBDMM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809836875 659947539 /nfs/dbraw/zinc/94/75/39/659947539.db2.gz ZEBVJHJVVWZODZ-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845705 659948652 /nfs/dbraw/zinc/94/86/52/659948652.db2.gz SSMCHJMLIVYUIV-IUCAKERBSA-N -1 1 383.253 2.853 20 5 GFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])c1 ZINC000811832680 660016382 /nfs/dbraw/zinc/01/63/82/660016382.db2.gz VONRKZUOWXNWFS-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000814974155 660099368 /nfs/dbraw/zinc/09/93/68/660099368.db2.gz NIVPGGYUVCEVDQ-UHFFFAOYSA-N -1 1 388.760 2.595 20 5 GFBDMM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815004143 660100730 /nfs/dbraw/zinc/10/07/30/660100730.db2.gz ZLFFTAWQPHCMSF-ZCFIWIBFSA-N -1 1 394.730 2.633 20 5 GFBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011247 660101024 /nfs/dbraw/zinc/10/10/24/660101024.db2.gz GBRBECFNDFYTEQ-UHFFFAOYSA-N -1 1 377.781 2.513 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000815027785 660103806 /nfs/dbraw/zinc/10/38/06/660103806.db2.gz JLNXMQKEVYCVJV-SECBINFHSA-N -1 1 378.809 2.767 20 5 GFBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000841548402 661296402 /nfs/dbraw/zinc/29/64/02/661296402.db2.gz ITMVITVGSSMDGP-CHWSQXEVSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000846010512 661521711 /nfs/dbraw/zinc/52/17/11/661521711.db2.gz PWLUJMVVKNHNMO-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000848505967 661657415 /nfs/dbraw/zinc/65/74/15/661657415.db2.gz PTDZOPHISPKULO-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000920758409 664530604 /nfs/dbraw/zinc/53/06/04/664530604.db2.gz WTYWROXEAUPUKC-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152506876 551435010 /nfs/dbraw/zinc/43/50/10/551435010.db2.gz HBXYBZSVCHNUKR-UHFFFAOYSA-N -1 1 397.718 2.756 20 5 GFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000154312920 551471788 /nfs/dbraw/zinc/47/17/88/551471788.db2.gz SADJCNHRUKQSHL-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163198276 551617278 /nfs/dbraw/zinc/61/72/78/551617278.db2.gz KQDZPTWCQZTLDJ-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000250083869 553147544 /nfs/dbraw/zinc/14/75/44/553147544.db2.gz CTJSFABXMGITEP-NWDGAFQWSA-N -1 1 375.878 2.647 20 5 GFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000445001724 563841155 /nfs/dbraw/zinc/84/11/55/563841155.db2.gz WCUOHLZBRBAJJY-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(Br)c1 ZINC000416601665 563851992 /nfs/dbraw/zinc/85/19/92/563851992.db2.gz ZRPIVNJJRZAAOI-GHMZBOCLSA-N -1 1 381.223 2.916 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])n1 ZINC000572783853 564610249 /nfs/dbraw/zinc/61/02/49/564610249.db2.gz FTQOZMGNZYEPPN-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000486650341 564661399 /nfs/dbraw/zinc/66/13/99/564661399.db2.gz XZKNNSUPNJRJBT-DTWKUNHWSA-N -1 1 387.849 2.919 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000488769427 564719954 /nfs/dbraw/zinc/71/99/54/564719954.db2.gz ZDGBEGHLLIHUJM-JTQLQIEISA-N -1 1 375.244 2.992 20 5 GFBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490531007 564776009 /nfs/dbraw/zinc/77/60/09/564776009.db2.gz JAGQVSSBEZXASS-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@H]2CCCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000583306662 564885529 /nfs/dbraw/zinc/88/55/29/564885529.db2.gz GOMOIIRIBAAPRX-SNVBAGLBSA-N -1 1 378.353 2.860 20 5 GFBDMM CC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000536308381 565034394 /nfs/dbraw/zinc/03/43/94/565034394.db2.gz JTYHFEKZYOGQSR-SECBINFHSA-N -1 1 385.225 2.679 20 5 GFBDMM Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1Br ZINC000597731219 565572969 /nfs/dbraw/zinc/57/29/69/565572969.db2.gz IGZVMJDGNDOBEB-UHFFFAOYSA-N -1 1 394.229 2.663 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000601520082 565788956 /nfs/dbraw/zinc/78/89/56/565788956.db2.gz HJPJSEAWYGGVJI-HTRCEHHLSA-N -1 1 378.250 2.843 20 5 GFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609899259 566058513 /nfs/dbraw/zinc/05/85/13/566058513.db2.gz MEWBFTBBIVDQBL-NSHDSACASA-N -1 1 395.275 2.841 20 5 GFBDMM CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(NC(=O)[O-])CC1 ZINC000828416663 603789409 /nfs/dbraw/zinc/78/94/09/603789409.db2.gz MDTBPEHTPGRJND-UHFFFAOYSA-N -1 1 375.385 2.655 20 5 GFBDMM O=C([O-])COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000833259492 604807289 /nfs/dbraw/zinc/80/72/89/604807289.db2.gz RIMCCWFYTOGCJT-UHFFFAOYSA-N -1 1 386.769 2.512 20 5 GFBDMM CC(C)(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000833423754 605298499 /nfs/dbraw/zinc/29/84/99/605298499.db2.gz JMZOYFBMBLEZQU-NSHDSACASA-N -1 1 398.359 2.938 20 5 GFBDMM O=C([O-])NC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000834205698 605666735 /nfs/dbraw/zinc/66/67/35/605666735.db2.gz GKBNNVHSZDWDBB-OAHLLOKOSA-N -1 1 389.412 2.951 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC([C@H](O)c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823635313 606645117 /nfs/dbraw/zinc/64/51/17/606645117.db2.gz VQXPNPVBAZFDLX-GOSISDBHSA-N -1 1 380.408 2.725 20 5 GFBDMM C[C@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000820778006 606704757 /nfs/dbraw/zinc/70/47/57/606704757.db2.gz UIHRDFUDYMYPOH-RYUDHWBXSA-N -1 1 396.411 2.527 20 5 GFBDMM C[C@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000820778006 606704761 /nfs/dbraw/zinc/70/47/61/606704761.db2.gz UIHRDFUDYMYPOH-RYUDHWBXSA-N -1 1 396.411 2.527 20 5 GFBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000821824149 606706966 /nfs/dbraw/zinc/70/69/66/606706966.db2.gz IDXCJQBWQKEOSC-UHFFFAOYSA-N -1 1 395.301 2.809 20 5 GFBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000821824149 606706968 /nfs/dbraw/zinc/70/69/68/606706968.db2.gz IDXCJQBWQKEOSC-UHFFFAOYSA-N -1 1 395.301 2.809 20 5 GFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826473010 607837724 /nfs/dbraw/zinc/83/77/24/607837724.db2.gz GVOWBQWAARVIGT-UHFFFAOYSA-N -1 1 394.391 2.580 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000038039618 654617071 /nfs/dbraw/zinc/61/70/71/654617071.db2.gz PENPJHAZBMCZGB-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2 ZINC000058509427 654819020 /nfs/dbraw/zinc/81/90/20/654819020.db2.gz RYMVBYRPVBGFPQ-UHFFFAOYSA-N -1 1 384.435 2.641 20 5 GFBDMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269382729 655007782 /nfs/dbraw/zinc/00/77/82/655007782.db2.gz PZMRUZJKAUYNPI-LLVKDONJSA-N -1 1 385.833 2.560 20 5 GFBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000173809764 655181934 /nfs/dbraw/zinc/18/19/34/655181934.db2.gz RJFNQGNPXAQCAF-UHFFFAOYSA-N -1 1 375.859 2.788 20 5 GFBDMM COc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000292897038 655356428 /nfs/dbraw/zinc/35/64/28/655356428.db2.gz VRHFWQISXKEMBU-SNVBAGLBSA-N -1 1 397.356 2.642 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2ccccc2OC1 ZINC000510376239 655417613 /nfs/dbraw/zinc/41/76/13/655417613.db2.gz SZKBWKDYSSKONC-LBPRGKRZSA-N -1 1 382.825 2.920 20 5 GFBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000579299644 655497301 /nfs/dbraw/zinc/49/73/01/655497301.db2.gz QZVJKJCBWLZIGN-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000748640396 655793125 /nfs/dbraw/zinc/79/31/25/655793125.db2.gz MXWNMWYQBLSGSQ-UHFFFAOYSA-N -1 1 384.801 2.590 20 5 GFBDMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000751142462 655822122 /nfs/dbraw/zinc/82/21/22/655822122.db2.gz PEWMPXDVRIYTOC-UHFFFAOYSA-N -1 1 379.781 2.891 20 5 GFBDMM Cc1ccc(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1Cl ZINC000759168080 655949873 /nfs/dbraw/zinc/94/98/73/655949873.db2.gz KVCUXSLVLSZUFQ-UHFFFAOYSA-N -1 1 377.209 2.910 20 5 GFBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777993923 656850181 /nfs/dbraw/zinc/85/01/81/656850181.db2.gz BEWUXAAVWCDGDI-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795810269 658853843 /nfs/dbraw/zinc/85/38/43/658853843.db2.gz BFXARKFRCCSBEF-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795941520 658875403 /nfs/dbraw/zinc/87/54/03/658875403.db2.gz BLWZCXCFQTXPES-SFYZADRCSA-N -1 1 381.223 2.963 20 5 GFBDMM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798225851 659085075 /nfs/dbraw/zinc/08/50/75/659085075.db2.gz OOLCCZYELOQUPC-UHFFFAOYSA-N -1 1 389.792 2.660 20 5 GFBDMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800929729 659351353 /nfs/dbraw/zinc/35/13/53/659351353.db2.gz NPWPJOCEPCUELD-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2OC1 ZINC000800952276 659358054 /nfs/dbraw/zinc/35/80/54/659358054.db2.gz IGFOZNQSMJUMCL-CYBMUJFWSA-N -1 1 382.825 2.920 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1Br ZINC000805143407 659750570 /nfs/dbraw/zinc/75/05/70/659750570.db2.gz JOYAUJINZMSJJI-JTQLQIEISA-N -1 1 385.186 2.823 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000809815427 659941316 /nfs/dbraw/zinc/94/13/16/659941316.db2.gz HNUAUZKGNISBQI-ZETCQYMHSA-N -1 1 399.252 2.910 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)cc1Cl ZINC000809820885 659942944 /nfs/dbraw/zinc/94/29/44/659942944.db2.gz DSXOOIAYZKXSBY-CYBMUJFWSA-N -1 1 388.804 2.789 20 5 GFBDMM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814978964 660099646 /nfs/dbraw/zinc/09/96/46/660099646.db2.gz CQANCWWMLCTXAY-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM CN(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000814979224 660099650 /nfs/dbraw/zinc/09/96/50/660099650.db2.gz DOBYVISVSUNIBS-UHFFFAOYSA-N -1 1 387.820 2.802 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000814977630 660099705 /nfs/dbraw/zinc/09/97/05/660099705.db2.gz VYWIPPVGAOZXPL-LBPRGKRZSA-N -1 1 391.808 2.562 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC1CCCC1 ZINC000815020428 660102532 /nfs/dbraw/zinc/10/25/32/660102532.db2.gz ACQVKFGRVJJUTC-QMMMGPOBSA-N -1 1 394.808 2.540 20 5 GFBDMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029486 660104193 /nfs/dbraw/zinc/10/41/93/660104193.db2.gz VEEHCAATDYVJOF-NOZJJQNGSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000815047004 660106962 /nfs/dbraw/zinc/10/69/62/660106962.db2.gz JQQWRHUEPOTJNC-UHFFFAOYSA-N -1 1 386.213 2.976 20 5 GFBDMM O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000920309280 664524803 /nfs/dbraw/zinc/52/48/03/664524803.db2.gz BZJBDXXZQYPBAY-LBPRGKRZSA-N -1 1 384.797 2.743 20 5 GFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146973255 677402886 /nfs/dbraw/zinc/40/28/86/677402886.db2.gz NBOHGCVXKCBTOP-UHFFFAOYSA-N -1 1 385.785 2.677 20 5 GFBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000125289571 551321439 /nfs/dbraw/zinc/32/14/39/551321439.db2.gz CJYFZGADFKBHJR-SNVBAGLBSA-N -1 1 376.843 2.630 20 5 GFBDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146658474 551397537 /nfs/dbraw/zinc/39/75/37/551397537.db2.gz YLTOUGIOQGSUJX-UHFFFAOYSA-N -1 1 383.813 2.685 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000180741863 552234338 /nfs/dbraw/zinc/23/43/38/552234338.db2.gz GCDUVZFIBOVQFF-FZMZJTMJSA-N -1 1 390.389 2.743 20 5 GFBDMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733051 563280450 /nfs/dbraw/zinc/28/04/50/563280450.db2.gz USFWOMGJWWPAOJ-MNOVXSKESA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000374435488 563372710 /nfs/dbraw/zinc/37/27/10/563372710.db2.gz JHTLYSREAZJKCQ-LLVKDONJSA-N -1 1 384.845 2.609 20 5 GFBDMM O=c1[n-]nc(C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)o1 ZINC000425450368 563422923 /nfs/dbraw/zinc/42/29/23/563422923.db2.gz YHERJUCDVSRZLL-UHFFFAOYSA-N -1 1 383.202 2.826 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437276937 563692256 /nfs/dbraw/zinc/69/22/56/563692256.db2.gz VIDROCQUKHBJNS-NWDGAFQWSA-N -1 1 378.182 2.744 20 5 GFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938009 563815440 /nfs/dbraw/zinc/81/54/40/563815440.db2.gz VGPNPHUXSYSTQD-MADCSZMMSA-N -1 1 388.339 2.998 20 5 GFBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccccc1Br ZINC000445479533 563849778 /nfs/dbraw/zinc/84/97/78/563849778.db2.gz JTBUQHWFAIWBNT-UHFFFAOYSA-N -1 1 392.169 2.917 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000505319470 564179780 /nfs/dbraw/zinc/17/97/80/564179780.db2.gz YQPZOXPZPYCNRJ-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000471132473 564186415 /nfs/dbraw/zinc/18/64/15/564186415.db2.gz IFBZQGXQHRYJAI-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000451590538 564329502 /nfs/dbraw/zinc/32/95/02/564329502.db2.gz YSLYWDRKBYFMTH-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451653808 564336287 /nfs/dbraw/zinc/33/62/87/564336287.db2.gz NNTMONQOUPZTEN-QMMMGPOBSA-N -1 1 390.767 2.884 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000476606527 564347506 /nfs/dbraw/zinc/34/75/06/564347506.db2.gz PNAHTSAUJMGBKH-ZCFIWIBFSA-N -1 1 391.165 2.834 20 5 GFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000452041783 564385651 /nfs/dbraw/zinc/38/56/51/564385651.db2.gz DCOGKFIRHSYACT-UHFFFAOYSA-N -1 1 376.862 2.858 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000480895271 564493994 /nfs/dbraw/zinc/49/39/94/564493994.db2.gz SWPPZSURRWTRFV-UHFFFAOYSA-N -1 1 380.813 2.576 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481463664 564512491 /nfs/dbraw/zinc/51/24/91/564512491.db2.gz HZDXDVAADAKTOP-SECBINFHSA-N -1 1 397.261 2.975 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)cc1C(=O)[O-] ZINC000485277272 564611737 /nfs/dbraw/zinc/61/17/37/564611737.db2.gz XEXIRIYCUWTICU-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM NC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000485891023 564629968 /nfs/dbraw/zinc/62/99/68/564629968.db2.gz VLQCDUDNQYUKTK-UHFFFAOYSA-N -1 1 388.174 2.909 20 5 GFBDMM C[C@H]1CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307555 564698549 /nfs/dbraw/zinc/69/85/49/564698549.db2.gz VWMCLNHSPSYPNT-VIFPVBQESA-N -1 1 382.269 2.522 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000533174409 564957071 /nfs/dbraw/zinc/95/70/71/564957071.db2.gz HFYZUGOFSFUOGB-UHFFFAOYSA-N -1 1 386.861 2.721 20 5 GFBDMM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000535266624 565009540 /nfs/dbraw/zinc/00/95/40/565009540.db2.gz YPTRABFBWZGDJX-AWEZNQCLSA-N -1 1 381.841 2.713 20 5 GFBDMM C[C@@H]1C[C@H]1[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248568 565664606 /nfs/dbraw/zinc/66/46/06/565664606.db2.gz OHVWUXRYSWPZDS-GAJTVXKRSA-N -1 1 384.845 2.657 20 5 GFBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccs1 ZINC000613470006 566199221 /nfs/dbraw/zinc/19/92/21/566199221.db2.gz NFYBACUORWPMLT-VIFPVBQESA-N -1 1 390.464 2.609 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826293716 607591018 /nfs/dbraw/zinc/59/10/18/607591018.db2.gz ZDIFPIDCCSWSCB-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826293716 607591016 /nfs/dbraw/zinc/59/10/16/607591016.db2.gz ZDIFPIDCCSWSCB-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C([O-])CCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000833225766 604802806 /nfs/dbraw/zinc/80/28/06/604802806.db2.gz PWOHYWFJOFRFED-UHFFFAOYSA-N -1 1 397.431 2.851 20 5 GFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833240 605900489 /nfs/dbraw/zinc/90/04/89/605900489.db2.gz XBKRHAOTPGAWKT-WOPDTQHZSA-N -1 1 375.385 2.684 20 5 GFBDMM O=[N+]([O-])c1cc(NCC2(c3ccccc3)CCOCC2)ccc1-c1nn[n-]n1 ZINC000823635258 606645205 /nfs/dbraw/zinc/64/52/05/606645205.db2.gz UPMAYDFNHSACID-UHFFFAOYSA-N -1 1 380.408 2.935 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(Br)ccc21 ZINC000823621051 606703970 /nfs/dbraw/zinc/70/39/70/606703970.db2.gz WARQAQGUJMESRE-UHFFFAOYSA-N -1 1 388.185 2.627 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cc(Br)ccc21 ZINC000823621051 606703973 /nfs/dbraw/zinc/70/39/73/606703973.db2.gz WARQAQGUJMESRE-UHFFFAOYSA-N -1 1 388.185 2.627 20 5 GFBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000822238834 606719699 /nfs/dbraw/zinc/71/96/99/606719699.db2.gz WWHKEIHGIPSAFZ-UHFFFAOYSA-N -1 1 381.396 2.879 20 5 GFBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000822238834 606719700 /nfs/dbraw/zinc/71/97/00/606719700.db2.gz WWHKEIHGIPSAFZ-UHFFFAOYSA-N -1 1 381.396 2.879 20 5 GFBDMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000826418636 607864085 /nfs/dbraw/zinc/86/40/85/607864085.db2.gz PEYWVDTZYDTDQN-UHFFFAOYSA-N -1 1 392.734 2.585 20 5 GFBDMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000826418636 607864086 /nfs/dbraw/zinc/86/40/86/607864086.db2.gz PEYWVDTZYDTDQN-UHFFFAOYSA-N -1 1 392.734 2.585 20 5 GFBDMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826418469 607867450 /nfs/dbraw/zinc/86/74/50/607867450.db2.gz IJRKPCWGUTVYHF-UHFFFAOYSA-N -1 1 392.734 2.585 20 5 GFBDMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826418469 607867451 /nfs/dbraw/zinc/86/74/51/607867451.db2.gz IJRKPCWGUTVYHF-UHFFFAOYSA-N -1 1 392.734 2.585 20 5 GFBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826362993 608349083 /nfs/dbraw/zinc/34/90/83/608349083.db2.gz RJZHZHPEJAKDGC-UHFFFAOYSA-N -1 1 375.414 2.725 20 5 GFBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826362993 608349085 /nfs/dbraw/zinc/34/90/85/608349085.db2.gz RJZHZHPEJAKDGC-UHFFFAOYSA-N -1 1 375.414 2.725 20 5 GFBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830668285 660671116 /nfs/dbraw/zinc/67/11/16/660671116.db2.gz NIKIDWOWNYBFCT-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)c(Cl)cc1Cl ZINC000831739930 660724166 /nfs/dbraw/zinc/72/41/66/660724166.db2.gz USDLLGCTAYIXMV-SECBINFHSA-N -1 1 377.209 2.521 20 5 GFBDMM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832111764 660755248 /nfs/dbraw/zinc/75/52/48/660755248.db2.gz PEZVNZYFXMNJTR-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1 ZINC000032087611 654599844 /nfs/dbraw/zinc/59/98/44/654599844.db2.gz BSUCAEDARPVIAC-UHFFFAOYSA-N -1 1 381.797 2.934 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2sccc2Br)s1 ZINC000058510590 654819040 /nfs/dbraw/zinc/81/90/40/654819040.db2.gz NEOOLFLIRWSASG-UHFFFAOYSA-N -1 1 383.270 2.959 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000064243272 654864572 /nfs/dbraw/zinc/86/45/72/654864572.db2.gz DERDDXCOPJLMNS-LBPRGKRZSA-N -1 1 389.886 2.891 20 5 GFBDMM CC(C)n1c(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000067074170 654928825 /nfs/dbraw/zinc/92/88/25/654928825.db2.gz BXMUGWIMKKMCMR-UHFFFAOYSA-N -1 1 381.483 2.881 20 5 GFBDMM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175651379 655225301 /nfs/dbraw/zinc/22/53/01/655225301.db2.gz BIPJUTGMAKHDDR-JOMGAKPTSA-N -1 1 394.902 2.606 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000265699127 655488869 /nfs/dbraw/zinc/48/88/69/655488869.db2.gz COOJUOHYNQMQMO-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1c(F)cccc1F ZINC000751466567 655828605 /nfs/dbraw/zinc/82/86/05/655828605.db2.gz NBSCSNQUFZETAO-QMTHXVAHSA-N -1 1 392.405 2.725 20 5 GFBDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000772949945 656395344 /nfs/dbraw/zinc/39/53/44/656395344.db2.gz HXJTUQIQVUZHSQ-UHFFFAOYSA-N -1 1 390.483 2.979 20 5 GFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000795877526 658866331 /nfs/dbraw/zinc/86/63/31/658866331.db2.gz YJHKGXFSGNVZEB-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227923 659086571 /nfs/dbraw/zinc/08/65/71/659086571.db2.gz ATCFQSPXAUKILD-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccn2)c1Cl ZINC000809385902 659925241 /nfs/dbraw/zinc/92/52/41/659925241.db2.gz SEHPBMVLMPDHAR-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCC1 ZINC000809390115 659925668 /nfs/dbraw/zinc/92/56/68/659925668.db2.gz FUYXCLNXIVWJCT-UHFFFAOYSA-N -1 1 397.236 2.666 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]21 ZINC000809820723 659943068 /nfs/dbraw/zinc/94/30/68/659943068.db2.gz AWJLRLDXKBPUGL-WZYXQFPFSA-N -1 1 392.836 2.869 20 5 GFBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823215 659943623 /nfs/dbraw/zinc/94/36/23/659943623.db2.gz ZYIJIOFBEXKEJB-RKDXNWHRSA-N -1 1 385.269 2.977 20 5 GFBDMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822625 659943639 /nfs/dbraw/zinc/94/36/39/659943639.db2.gz QJNYIQSRHSUOIN-SNVBAGLBSA-N -1 1 382.841 2.710 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)cc1Cl ZINC000809822732 659943669 /nfs/dbraw/zinc/94/36/69/659943669.db2.gz TYYQTZCMBVSPMM-LBPRGKRZSA-N -1 1 380.825 2.607 20 5 GFBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1(C)C ZINC000809825288 659944366 /nfs/dbraw/zinc/94/43/66/659944366.db2.gz MRLZGRQQGPYWDN-RYUDHWBXSA-N -1 1 383.253 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(F)n2)c(Cl)cc1Cl ZINC000809827975 659945022 /nfs/dbraw/zinc/94/50/22/659945022.db2.gz FRHPVTAMNJODFF-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000809840600 659947829 /nfs/dbraw/zinc/94/78/29/659947829.db2.gz XIQDORRONXJEFO-VIFPVBQESA-N -1 1 386.788 2.539 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000815017714 660102147 /nfs/dbraw/zinc/10/21/47/660102147.db2.gz UDMDBLCIZVDEOU-CYBMUJFWSA-N -1 1 394.852 2.997 20 5 GFBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1 ZINC000815029182 660104011 /nfs/dbraw/zinc/10/40/11/660104011.db2.gz LGTLAZPMVPYVTQ-ZETCQYMHSA-N -1 1 391.812 2.668 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000815038637 660105638 /nfs/dbraw/zinc/10/56/38/660105638.db2.gz LLLGIXGPODRGKY-VIFPVBQESA-N -1 1 386.788 2.539 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCC2(O)CCC2)c(Cl)cc1Cl ZINC000817145373 660182966 /nfs/dbraw/zinc/18/29/66/660182966.db2.gz HFRAEBRNVKXMIU-UHFFFAOYSA-N -1 1 383.253 2.875 20 5 GFBDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000817146764 660183519 /nfs/dbraw/zinc/18/35/19/660183519.db2.gz UPRHJARGMOREPS-WDEREUQCSA-N -1 1 393.259 2.593 20 5 GFBDMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841555839 661299345 /nfs/dbraw/zinc/29/93/45/661299345.db2.gz SIGCCKJVAVUTIZ-JTQLQIEISA-N -1 1 397.236 2.522 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000841563243 661302548 /nfs/dbraw/zinc/30/25/48/661302548.db2.gz IWKNZFBONWZSKG-GHMZBOCLSA-N -1 1 381.223 2.916 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859341116 662153938 /nfs/dbraw/zinc/15/39/38/662153938.db2.gz MBDLBBPPUQVGAL-LJYOZPSBSA-N -1 1 383.253 2.992 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000859521580 662166177 /nfs/dbraw/zinc/16/61/77/662166177.db2.gz HKKGAEQBNLUQHL-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000921580923 664555262 /nfs/dbraw/zinc/55/52/62/664555262.db2.gz XVXOBPINZUJLQH-LDYMZIIASA-N -1 1 386.323 2.512 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473384545 532589705 /nfs/dbraw/zinc/58/97/05/532589705.db2.gz DRWSMRZVQKOGCH-UHFFFAOYSA-N -1 1 382.764 2.892 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000146713445 551397304 /nfs/dbraw/zinc/39/73/04/551397304.db2.gz ZGEWNLXSJBJXNP-ZDUSSCGKSA-N -1 1 389.886 2.891 20 5 GFBDMM O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1I ZINC000180992652 552242461 /nfs/dbraw/zinc/24/24/61/552242461.db2.gz YASVIKMEIHLEEZ-UHFFFAOYSA-N -1 1 385.117 2.552 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295244956 563238578 /nfs/dbraw/zinc/23/85/78/563238578.db2.gz YNKXTJNHNKOTJI-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733049 563280507 /nfs/dbraw/zinc/28/05/07/563280507.db2.gz USFWOMGJWWPAOJ-GHMZBOCLSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c(Cl)cc1Cl ZINC000377883762 563490435 /nfs/dbraw/zinc/49/04/35/563490435.db2.gz LABPNKVXRIXFJB-XXFPWJFMSA-N -1 1 381.237 2.747 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000289875279 563690313 /nfs/dbraw/zinc/69/03/13/563690313.db2.gz OATMTSQSQOHWFZ-ZANVPECISA-N -1 1 378.809 2.623 20 5 GFBDMM Cc1noc(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000290823826 563722649 /nfs/dbraw/zinc/72/26/49/563722649.db2.gz TYKQADQBNCFPQH-UHFFFAOYSA-N -1 1 395.224 2.504 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCOCC1 ZINC000290844452 563723499 /nfs/dbraw/zinc/72/34/99/563723499.db2.gz VUOFPAXQSDCCDV-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393877 563822367 /nfs/dbraw/zinc/82/23/67/563822367.db2.gz WHBUYSQOZUKJEU-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c([N+](=O)[O-])c1 ZINC000539952056 564234804 /nfs/dbraw/zinc/23/48/04/564234804.db2.gz GEPBAQYENGPSDL-UHFFFAOYSA-N -1 1 377.300 2.823 20 5 GFBDMM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567437936 564372097 /nfs/dbraw/zinc/37/20/97/564372097.db2.gz MLKJGSQTAVBJBW-VXGBXAGGSA-N -1 1 378.182 2.744 20 5 GFBDMM CC(C)C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000479616709 564445387 /nfs/dbraw/zinc/44/53/87/564445387.db2.gz KBBKDDYZCFNYON-MRVPVSSYSA-N -1 1 399.252 2.927 20 5 GFBDMM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c([N+](=O)[O-])c1 ZINC000481884701 564527334 /nfs/dbraw/zinc/52/73/34/564527334.db2.gz DSOCLEJGRSDENA-UHFFFAOYSA-N -1 1 384.797 2.993 20 5 GFBDMM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000519891971 564595248 /nfs/dbraw/zinc/59/52/48/564595248.db2.gz FQWOJQDAWOQLBJ-SNVBAGLBSA-N -1 1 384.435 2.685 20 5 GFBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000490643607 564779241 /nfs/dbraw/zinc/77/92/41/564779241.db2.gz KGZIOBYJHFRJRP-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462704123 564855414 /nfs/dbraw/zinc/85/54/14/564855414.db2.gz SPUAYBJDBJUHEB-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000469037621 565003389 /nfs/dbraw/zinc/00/33/89/565003389.db2.gz QMNUXWCKBPMZMG-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592109368 565256983 /nfs/dbraw/zinc/25/69/83/565256983.db2.gz AJGSQCMILVSDGH-APPZFPTMSA-N -1 1 381.273 2.530 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000608838900 566025508 /nfs/dbraw/zinc/02/55/08/566025508.db2.gz COKLGDBDUJULQD-WCQYABFASA-N -1 1 378.182 2.744 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608909004 566026607 /nfs/dbraw/zinc/02/66/07/566026607.db2.gz JWPXLITZVQDIGA-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032944 566062157 /nfs/dbraw/zinc/06/21/57/566062157.db2.gz YAVBNEAVMWYBOF-UHFFFAOYSA-N -1 1 397.210 2.806 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000611104542 566115142 /nfs/dbraw/zinc/11/51/42/566115142.db2.gz BLKXNAVUUZOVSL-UHFFFAOYSA-N -1 1 393.252 2.639 20 5 GFBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccs1 ZINC000613470002 566199200 /nfs/dbraw/zinc/19/92/00/566199200.db2.gz NFYBACUORWPMLT-SECBINFHSA-N -1 1 390.464 2.609 20 5 GFBDMM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sccc1-c1nn[n-]n1 ZINC000738235584 599261632 /nfs/dbraw/zinc/26/16/32/599261632.db2.gz SZCNRNSCKYYENZ-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM O=C([O-])CCCOc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000486376530 600499138 /nfs/dbraw/zinc/49/91/38/600499138.db2.gz JHOSMSBXCZFWSU-UHFFFAOYSA-N -1 1 398.375 2.645 20 5 GFBDMM Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263662 607450576 /nfs/dbraw/zinc/45/05/76/607450576.db2.gz LOPOLQLMVVIQKM-UHFFFAOYSA-N -1 1 381.396 2.751 20 5 GFBDMM Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263662 607450578 /nfs/dbraw/zinc/45/05/78/607450578.db2.gz LOPOLQLMVVIQKM-UHFFFAOYSA-N -1 1 381.396 2.751 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccnc(N3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000826499021 607453037 /nfs/dbraw/zinc/45/30/37/607453037.db2.gz RZRQAKOUBIFDNH-UHFFFAOYSA-N -1 1 380.412 2.772 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccnc(N3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000826499021 607453039 /nfs/dbraw/zinc/45/30/39/607453039.db2.gz RZRQAKOUBIFDNH-UHFFFAOYSA-N -1 1 380.412 2.772 20 5 GFBDMM Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921354 601370487 /nfs/dbraw/zinc/37/04/87/601370487.db2.gz PLDWMGSIGZVARJ-UONOGXRCSA-N -1 1 385.420 2.957 20 5 GFBDMM Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccc1Cl ZINC000826271814 607574132 /nfs/dbraw/zinc/57/41/32/607574132.db2.gz ITOALDZCPWPNQW-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CCN(Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000739445726 602654196 /nfs/dbraw/zinc/65/41/96/602654196.db2.gz FKXUHSFZZPXMTK-UHFFFAOYSA-N -1 1 379.394 2.896 20 5 GFBDMM Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826272092 607580473 /nfs/dbraw/zinc/58/04/73/607580473.db2.gz UFHBTGKPMMPUNR-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829888843 604014641 /nfs/dbraw/zinc/01/46/41/604014641.db2.gz JIPMOHHDVUHFJK-UHFFFAOYSA-N -1 1 377.378 2.745 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000834187110 605448489 /nfs/dbraw/zinc/44/84/89/605448489.db2.gz YHDWAHDKHICUEU-VHDGCEQUSA-N -1 1 387.396 2.513 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccccc1C(F)(F)F ZINC000823625122 606702147 /nfs/dbraw/zinc/70/21/47/606702147.db2.gz PSOVXLBKTIGLEU-UHFFFAOYSA-N -1 1 379.302 2.843 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccccc1C(F)(F)F ZINC000823625122 606702149 /nfs/dbraw/zinc/70/21/49/606702149.db2.gz PSOVXLBKTIGLEU-UHFFFAOYSA-N -1 1 379.302 2.843 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC000823619817 606712247 /nfs/dbraw/zinc/71/22/47/606712247.db2.gz BOSGXYQATCCNSK-JTQLQIEISA-N -1 1 396.194 2.622 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC000823619817 606712248 /nfs/dbraw/zinc/71/22/48/606712248.db2.gz BOSGXYQATCCNSK-JTQLQIEISA-N -1 1 396.194 2.622 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H]2CCO[C@H]21 ZINC000830665098 660670671 /nfs/dbraw/zinc/67/06/71/660670671.db2.gz YHDQNSBLVUSFBE-KEMBBXRSSA-N -1 1 395.264 2.993 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)s1 ZINC000066000395 654892296 /nfs/dbraw/zinc/89/22/96/654892296.db2.gz LPKJBDGSCFFCRY-UHFFFAOYSA-N -1 1 383.451 2.851 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000135665027 655023682 /nfs/dbraw/zinc/02/36/82/655023682.db2.gz VAPOWTDLKYUXSJ-SECBINFHSA-N -1 1 381.273 2.531 20 5 GFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000174665630 655205751 /nfs/dbraw/zinc/20/57/51/655205751.db2.gz HNKXNVFXXVNJTA-UHFFFAOYSA-N -1 1 390.190 2.879 20 5 GFBDMM CC(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119396036 655302399 /nfs/dbraw/zinc/30/23/99/655302399.db2.gz STONUXZURMNNPO-UHFFFAOYSA-N -1 1 383.451 2.729 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000121249884 655348931 /nfs/dbraw/zinc/34/89/31/655348931.db2.gz CLOLSSOLYMQFTJ-SECBINFHSA-N -1 1 397.261 2.975 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000265836020 655491578 /nfs/dbraw/zinc/49/15/78/655491578.db2.gz RDIXRPUPTPXWFP-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000746410130 655761141 /nfs/dbraw/zinc/76/11/41/655761141.db2.gz AAUNRKXJXNNYCE-UHFFFAOYSA-N -1 1 381.410 2.865 20 5 GFBDMM CC[C@@](C)(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1OCCO1 ZINC000748072045 655787162 /nfs/dbraw/zinc/78/71/62/655787162.db2.gz SXKBISJZPXSRCH-AWEZNQCLSA-N -1 1 378.472 2.504 20 5 GFBDMM COC(=O)c1cc([N-]C(=O)c2scnc2Br)cc([N+](=O)[O-])c1 ZINC000754293914 655866159 /nfs/dbraw/zinc/86/61/59/655866159.db2.gz ROSXCZWFXXSEAX-UHFFFAOYSA-N -1 1 386.183 2.853 20 5 GFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000778031253 656855058 /nfs/dbraw/zinc/85/50/58/656855058.db2.gz AGKJEVJQTVTQKK-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl ZINC000780071338 656981032 /nfs/dbraw/zinc/98/10/32/656981032.db2.gz GFTDKWFVXQDKLR-UHFFFAOYSA-N -1 1 386.147 2.798 20 5 GFBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000788504806 657733056 /nfs/dbraw/zinc/73/30/56/657733056.db2.gz HRBVMAKNLGZEGL-ZETCQYMHSA-N -1 1 384.801 2.877 20 5 GFBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000788504806 657733066 /nfs/dbraw/zinc/73/30/66/657733066.db2.gz HRBVMAKNLGZEGL-ZETCQYMHSA-N -1 1 384.801 2.877 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000795778452 658849435 /nfs/dbraw/zinc/84/94/35/658849435.db2.gz WGKKPBFESDQFFN-UHFFFAOYSA-N -1 1 393.234 2.963 20 5 GFBDMM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796101652 658891683 /nfs/dbraw/zinc/89/16/83/658891683.db2.gz DIDIMGDXVTXQIF-BZNIZROVSA-N -1 1 384.841 2.957 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1-c1ccccc1 ZINC000805128520 659746015 /nfs/dbraw/zinc/74/60/15/659746015.db2.gz UQNGSTHMKQHOFD-LLVKDONJSA-N -1 1 378.435 2.882 20 5 GFBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809811490 659940897 /nfs/dbraw/zinc/94/08/97/659940897.db2.gz MUQUMLFHNWRGKW-UHFFFAOYSA-N -1 1 389.748 2.774 20 5 GFBDMM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1 ZINC000809813781 659940958 /nfs/dbraw/zinc/94/09/58/659940958.db2.gz PJAJPCNZOVWEGE-UHFFFAOYSA-N -1 1 393.849 2.927 20 5 GFBDMM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809818479 659941932 /nfs/dbraw/zinc/94/19/32/659941932.db2.gz JPFZHPSHAMAZEG-UHFFFAOYSA-N -1 1 376.797 2.643 20 5 GFBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809818255 659942013 /nfs/dbraw/zinc/94/20/13/659942013.db2.gz GDJTVHHTPLRCQH-ZDUSSCGKSA-N -1 1 397.236 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)c(Cl)cc1Cl ZINC000809818954 659942262 /nfs/dbraw/zinc/94/22/62/659942262.db2.gz SJAKDCLNXGBDPY-CYBMUJFWSA-N -1 1 391.232 2.914 20 5 GFBDMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820361 659942611 /nfs/dbraw/zinc/94/26/11/659942611.db2.gz WCTKXNACLNAIMW-AWEZNQCLSA-N -1 1 382.841 2.853 20 5 GFBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809827652 659945042 /nfs/dbraw/zinc/94/50/42/659945042.db2.gz QQDVIPZSEVZSRR-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(Cl)cc1Cl ZINC000809827991 659945375 /nfs/dbraw/zinc/94/53/75/659945375.db2.gz WGNINLCMAZDBAM-UHFFFAOYSA-N -1 1 383.253 2.733 20 5 GFBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809832265 659946751 /nfs/dbraw/zinc/94/67/51/659946751.db2.gz ORFQMFZQMOFMBP-UWVGGRQHSA-N -1 1 380.825 2.871 20 5 GFBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022272 660102913 /nfs/dbraw/zinc/10/29/13/660102913.db2.gz NDDQHFNESQDYJS-UHFFFAOYSA-N -1 1 382.841 2.854 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000815025680 660103599 /nfs/dbraw/zinc/10/35/99/660103599.db2.gz XMCSJSFILNSZOA-RLCGTCKNSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815030551 660104185 /nfs/dbraw/zinc/10/41/85/660104185.db2.gz OUPWZQPVRVFFNK-JTQLQIEISA-N -1 1 394.852 2.854 20 5 GFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000815039152 660105859 /nfs/dbraw/zinc/10/58/59/660105859.db2.gz DRWAFNDPPJHYSK-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000815042615 660106357 /nfs/dbraw/zinc/10/63/57/660106357.db2.gz YVLKYXXCOJFISI-NSHDSACASA-N -1 1 394.852 2.854 20 5 GFBDMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000916108316 664450455 /nfs/dbraw/zinc/45/04/55/664450455.db2.gz WHNPLJFZJOENDS-UHFFFAOYSA-N -1 1 389.842 2.747 20 5 GFBDMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000022195056 207248103 /nfs/dbraw/zinc/24/81/03/207248103.db2.gz LFLDKKKQZCZIRO-GFCCVEGCSA-N -1 1 384.845 2.917 20 5 GFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1Br ZINC000414471069 563742720 /nfs/dbraw/zinc/74/27/20/563742720.db2.gz NTDSXLANZNKVHN-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193728064 553001385 /nfs/dbraw/zinc/00/13/85/553001385.db2.gz MYEIVKAWPPYHMA-MRVPVSSYSA-N -1 1 398.188 2.958 20 5 GFBDMM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1C ZINC000295227029 563236736 /nfs/dbraw/zinc/23/67/36/563236736.db2.gz SCWGRJRUYHMYSQ-ZETCQYMHSA-N -1 1 393.252 2.983 20 5 GFBDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000432653681 563590171 /nfs/dbraw/zinc/59/01/71/563590171.db2.gz NSDGNYRFNPSHKI-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1Cl ZINC000289213282 563672270 /nfs/dbraw/zinc/67/22/70/563672270.db2.gz STGSVNXXZIFIGC-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364893642 563768005 /nfs/dbraw/zinc/76/80/05/563768005.db2.gz IMXZSMAUBPUZNS-IINYFYTJSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000292793812 563796080 /nfs/dbraw/zinc/79/60/80/563796080.db2.gz LUHOMKPZSUEKCB-JTQLQIEISA-N -1 1 381.357 2.942 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443759123 563811684 /nfs/dbraw/zinc/81/16/84/563811684.db2.gz GQAZBUKLBMJIDW-UHFFFAOYSA-N -1 1 380.813 2.646 20 5 GFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3scnc3c2)ccc1[N+](=O)[O-] ZINC000471113578 564185309 /nfs/dbraw/zinc/18/53/09/564185309.db2.gz BOGLQIGLQYDMBQ-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894591 564259311 /nfs/dbraw/zinc/25/93/11/564259311.db2.gz ATOLWKVKAQDPKP-YGRLFVJLSA-N -1 1 385.829 2.698 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000476934671 564359244 /nfs/dbraw/zinc/35/92/44/564359244.db2.gz RUDFWNQMGDYQGF-JTQLQIEISA-N -1 1 384.435 2.857 20 5 GFBDMM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000478763345 564414581 /nfs/dbraw/zinc/41/45/81/564414581.db2.gz QAHGJFGEJUTENO-HNNXBMFYSA-N -1 1 392.861 2.894 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)s1 ZINC000549922321 564608761 /nfs/dbraw/zinc/60/87/61/564608761.db2.gz JYAKBHYZUIXCND-UHFFFAOYSA-N -1 1 382.341 2.875 20 5 GFBDMM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000490451668 564772660 /nfs/dbraw/zinc/77/26/60/564772660.db2.gz GUIZRBLOFKHXMQ-UHFFFAOYSA-N -1 1 379.316 2.815 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461797985 564805780 /nfs/dbraw/zinc/80/57/80/564805780.db2.gz SSDNLEAUSBUUIY-GFCCVEGCSA-N -1 1 376.862 2.715 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CC ZINC000462574890 564849351 /nfs/dbraw/zinc/84/93/51/564849351.db2.gz QZRYRAVRHRCRIF-CABZTGNLSA-N -1 1 378.834 2.504 20 5 GFBDMM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557596186 564869910 /nfs/dbraw/zinc/86/99/10/564869910.db2.gz QEPXIZYMHFOIFR-GFCCVEGCSA-N -1 1 386.191 2.856 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c2ncccc12 ZINC000464416453 564906667 /nfs/dbraw/zinc/90/66/67/564906667.db2.gz CCBUIEIYHVUQPI-UHFFFAOYSA-N -1 1 375.328 2.906 20 5 GFBDMM O=C(NCc1nc2cc(Br)ccc2o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000560567113 564968321 /nfs/dbraw/zinc/96/83/21/564968321.db2.gz QNCTVPYTLXLWCD-UHFFFAOYSA-N -1 1 393.153 2.529 20 5 GFBDMM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000503863497 565029789 /nfs/dbraw/zinc/02/97/89/565029789.db2.gz RYJKARAVADADCY-UHFFFAOYSA-N -1 1 378.472 2.837 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000604483461 565930460 /nfs/dbraw/zinc/93/04/60/565930460.db2.gz PEYBZHMWTCZPTC-UHFFFAOYSA-N -1 1 381.841 2.542 20 5 GFBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738258632 599375427 /nfs/dbraw/zinc/37/54/27/599375427.db2.gz JHEBOWMSZFLNSF-UHFFFAOYSA-N -1 1 379.380 2.759 20 5 GFBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738258632 599375429 /nfs/dbraw/zinc/37/54/29/599375429.db2.gz JHEBOWMSZFLNSF-UHFFFAOYSA-N -1 1 379.380 2.759 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826498328 607451217 /nfs/dbraw/zinc/45/12/17/607451217.db2.gz PVHHBAMUIYPISF-SFHVURJKSA-N -1 1 380.408 2.725 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826498328 607451219 /nfs/dbraw/zinc/45/12/19/607451219.db2.gz PVHHBAMUIYPISF-SFHVURJKSA-N -1 1 380.408 2.725 20 5 GFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739062720 602537051 /nfs/dbraw/zinc/53/70/51/602537051.db2.gz GTOOZPXMUHRUFV-VXGBXAGGSA-N -1 1 375.385 2.638 20 5 GFBDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000739922587 602652148 /nfs/dbraw/zinc/65/21/48/602652148.db2.gz BPNAPCSUUYCRQZ-UHFFFAOYSA-N -1 1 381.366 2.803 20 5 GFBDMM Cc1c(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826243147 607592236 /nfs/dbraw/zinc/59/22/36/607592236.db2.gz WPRRNEDBOJFSFN-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C(=O)[O-])CC1 ZINC000826917196 605463184 /nfs/dbraw/zinc/46/31/84/605463184.db2.gz ZJGYXEZRDPJFIN-UHFFFAOYSA-N -1 1 389.412 2.999 20 5 GFBDMM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440349 606179648 /nfs/dbraw/zinc/17/96/48/606179648.db2.gz OYIGIUXZPHRVDI-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440349 606179649 /nfs/dbraw/zinc/17/96/49/606179649.db2.gz OYIGIUXZPHRVDI-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820556456 606195085 /nfs/dbraw/zinc/19/50/85/606195085.db2.gz TYNXVSNVRYFIAY-VIFPVBQESA-N -1 1 386.393 2.600 20 5 GFBDMM O=C1CCCN1Cc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000823531107 606646065 /nfs/dbraw/zinc/64/60/65/606646065.db2.gz YRZMVWWFFFQXLW-UHFFFAOYSA-N -1 1 393.407 2.509 20 5 GFBDMM CC(C)C[C@H](C)Oc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000820057300 606709122 /nfs/dbraw/zinc/70/91/22/606709122.db2.gz XRZRIKSGBMCNKJ-LBPRGKRZSA-N -1 1 398.427 2.990 20 5 GFBDMM CC(C)C[C@H](C)Oc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000820057300 606709123 /nfs/dbraw/zinc/70/91/23/606709123.db2.gz XRZRIKSGBMCNKJ-LBPRGKRZSA-N -1 1 398.427 2.990 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(-c2ccc(F)cc2)o1 ZINC000823629862 607164144 /nfs/dbraw/zinc/16/41/44/607164144.db2.gz KAFLPTAKBDICGK-UHFFFAOYSA-N -1 1 386.328 2.510 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(-c2ccc(F)cc2)o1 ZINC000823629862 607164145 /nfs/dbraw/zinc/16/41/45/607164145.db2.gz KAFLPTAKBDICGK-UHFFFAOYSA-N -1 1 386.328 2.510 20 5 GFBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830535891 660662179 /nfs/dbraw/zinc/66/21/79/660662179.db2.gz XQNYKIYZHSBJIG-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC ZINC000831763586 660725152 /nfs/dbraw/zinc/72/51/52/660725152.db2.gz NSZWXDVZOURPBD-MRVPVSSYSA-N -1 1 399.238 2.590 20 5 GFBDMM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000832494453 660782890 /nfs/dbraw/zinc/78/28/90/660782890.db2.gz OWDPYRPQWYKAET-UHFFFAOYSA-N -1 1 380.209 2.931 20 5 GFBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000125289822 654790040 /nfs/dbraw/zinc/79/00/40/654790040.db2.gz CJYFZGADFKBHJR-JTQLQIEISA-N -1 1 376.843 2.630 20 5 GFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc([N+](=O)[O-])c1F ZINC000132347865 654934759 /nfs/dbraw/zinc/93/47/59/654934759.db2.gz UUCWJHPODKJNFX-XMMPIXPASA-N -1 1 386.426 2.722 20 5 GFBDMM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000104755798 655086078 /nfs/dbraw/zinc/08/60/78/655086078.db2.gz QQGMIGJMOMZGAH-UHFFFAOYSA-N -1 1 375.497 2.931 20 5 GFBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2c1 ZINC000725825526 655527211 /nfs/dbraw/zinc/52/72/11/655527211.db2.gz OWVNUTJKJQTRND-UHFFFAOYSA-N -1 1 380.813 2.683 20 5 GFBDMM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000747284906 655776352 /nfs/dbraw/zinc/77/63/52/655776352.db2.gz HTUGPNQKBXTPIO-CQSZACIVSA-N -1 1 384.841 2.784 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000755967527 655892125 /nfs/dbraw/zinc/89/21/25/655892125.db2.gz NCMHPYOYPFIVBI-VKTRGTBVSA-N -1 1 386.426 2.511 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC(F)F ZINC000768806059 656252072 /nfs/dbraw/zinc/25/20/72/656252072.db2.gz UDKONVWCEGRRII-UHFFFAOYSA-N -1 1 394.377 2.745 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000768812236 656252292 /nfs/dbraw/zinc/25/22/92/656252292.db2.gz JFMXGBONTCAEDY-GFCCVEGCSA-N -1 1 384.435 2.857 20 5 GFBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000775735918 656676669 /nfs/dbraw/zinc/67/66/69/656676669.db2.gz GBKIBZVJVSHVQG-LLVKDONJSA-N -1 1 376.862 2.715 20 5 GFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](O)c1c(Cl)cccc1Cl ZINC000777532809 656827843 /nfs/dbraw/zinc/82/78/43/656827843.db2.gz LJOALBGCRAXGEB-UHLUBPPHSA-N -1 1 386.191 2.854 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000795897765 658869111 /nfs/dbraw/zinc/86/91/11/658869111.db2.gz UTTKAZXQVBFALC-ZETCQYMHSA-N -1 1 392.206 2.864 20 5 GFBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1 ZINC000795902943 658869666 /nfs/dbraw/zinc/86/96/66/658869666.db2.gz TVZCGLTUDGXYIY-ZETCQYMHSA-N -1 1 391.812 2.668 20 5 GFBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809813023 659940952 /nfs/dbraw/zinc/94/09/52/659940952.db2.gz OYGIBJQAXQXIAT-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000809819529 659942355 /nfs/dbraw/zinc/94/23/55/659942355.db2.gz WFQFRKHREAOXOO-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl ZINC000809821082 659942993 /nfs/dbraw/zinc/94/29/93/659942993.db2.gz HQQBMWSBSSZZKE-DTWKUNHWSA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823213 659943765 /nfs/dbraw/zinc/94/37/65/659943765.db2.gz ZYIJIOFBEXKEJB-IUCAKERBSA-N -1 1 385.269 2.977 20 5 GFBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809824969 659944297 /nfs/dbraw/zinc/94/42/97/659944297.db2.gz JSSRWZUVVMXMCY-JTQLQIEISA-N -1 1 397.236 2.522 20 5 GFBDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826363 659944728 /nfs/dbraw/zinc/94/47/28/659944728.db2.gz YXKSHRKJRZKNKU-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809829993 659946100 /nfs/dbraw/zinc/94/61/00/659946100.db2.gz PVLDILHVYRANPX-NOZJJQNGSA-N -1 1 380.825 2.869 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)O ZINC000809837527 659947409 /nfs/dbraw/zinc/94/74/09/659947409.db2.gz XJWJLYHWJSFOPU-LBPRGKRZSA-N -1 1 385.269 2.975 20 5 GFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1Cl ZINC000811831807 660016415 /nfs/dbraw/zinc/01/64/15/660016415.db2.gz HIELUQFVJMABGI-UHFFFAOYSA-N -1 1 384.723 2.808 20 5 GFBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000813767637 660064437 /nfs/dbraw/zinc/06/44/37/660064437.db2.gz RYQWQYOXCAMVQV-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)c1Cl ZINC000867885799 662585325 /nfs/dbraw/zinc/58/53/25/662585325.db2.gz WNYNVRNEQSKGPG-GXSJLCMTSA-N -1 1 395.264 2.995 20 5 GFBDMM COC[C@@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901867130 663748566 /nfs/dbraw/zinc/74/85/66/663748566.db2.gz ZZXDSLHRAISZFZ-OAHLLOKOSA-N -1 1 387.230 2.671 20 5 GFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000917892691 664492102 /nfs/dbraw/zinc/49/21/02/664492102.db2.gz GHLMTDWXIJOBQI-UHFFFAOYSA-N -1 1 389.227 2.780 20 5 GFBDMM COc1ccccc1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146456080 551397183 /nfs/dbraw/zinc/39/71/83/551397183.db2.gz YNXJGDFRSBMSCX-UHFFFAOYSA-N -1 1 386.813 2.614 20 5 GFBDMM COc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146582915 551397236 /nfs/dbraw/zinc/39/72/36/551397236.db2.gz DYXYNNXJKQBUPM-UHFFFAOYSA-N -1 1 386.813 2.614 20 5 GFBDMM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000156556328 551525014 /nfs/dbraw/zinc/52/50/14/551525014.db2.gz LCKKSZCDUWPQRL-AWEZNQCLSA-N -1 1 384.841 2.823 20 5 GFBDMM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000185048898 552352598 /nfs/dbraw/zinc/35/25/98/552352598.db2.gz WTWUJCQUCBLRCX-UHFFFAOYSA-N -1 1 395.275 2.698 20 5 GFBDMM O=C(NC1(c2cccc(Br)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185715866 552369438 /nfs/dbraw/zinc/36/94/38/552369438.db2.gz USIUPUOSIKTBBQ-UHFFFAOYSA-N -1 1 378.182 2.877 20 5 GFBDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000188749693 552453857 /nfs/dbraw/zinc/45/38/57/552453857.db2.gz VLESLNRQTVCMKN-JTQLQIEISA-N -1 1 393.259 2.593 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Br)ccc2C1 ZINC000191596787 552532322 /nfs/dbraw/zinc/53/23/22/552532322.db2.gz MYTRTJBTNDOJBX-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000435968055 563661556 /nfs/dbraw/zinc/66/15/56/563661556.db2.gz VRKPIJOKQGKRAP-CMPLNLGQSA-N -1 1 378.182 2.744 20 5 GFBDMM O=C(NCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Br)cc1 ZINC000350349879 563670832 /nfs/dbraw/zinc/67/08/32/563670832.db2.gz YYGVKGKLWWNKTH-UHFFFAOYSA-N -1 1 392.169 2.665 20 5 GFBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccsc1Cl)OCCO2 ZINC000437690178 563698018 /nfs/dbraw/zinc/69/80/18/563698018.db2.gz YJANZBYLUDIHID-UHFFFAOYSA-N -1 1 376.799 2.882 20 5 GFBDMM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416390612 563822001 /nfs/dbraw/zinc/82/20/01/563822001.db2.gz NGCLKPKOZNLSQB-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416558561 563848283 /nfs/dbraw/zinc/84/82/83/563848283.db2.gz MDKLFILSOZTTOL-DVVUODLYSA-N -1 1 375.244 2.824 20 5 GFBDMM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1NC(C)=O ZINC000541173920 564268001 /nfs/dbraw/zinc/26/80/01/564268001.db2.gz ZCAUUGLRPVSMRT-UHFFFAOYSA-N -1 1 385.423 2.770 20 5 GFBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)C ZINC000512183859 564394425 /nfs/dbraw/zinc/39/44/25/564394425.db2.gz UIZMUSKAMKDOFN-LBPRGKRZSA-N -1 1 392.861 2.893 20 5 GFBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(I)c([O-])c1 ZINC000546159720 564446648 /nfs/dbraw/zinc/44/66/48/564446648.db2.gz FWFNMNXWJMWFFD-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000480201206 564463137 /nfs/dbraw/zinc/46/31/37/564463137.db2.gz PIHGQWPVBCYYFY-UHFFFAOYSA-N -1 1 388.199 2.567 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(=O)[nH]1 ZINC000480204543 564464305 /nfs/dbraw/zinc/46/43/05/564464305.db2.gz YPQKMHIYKKRGQN-UHFFFAOYSA-N -1 1 377.300 2.823 20 5 GFBDMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379052 564477445 /nfs/dbraw/zinc/47/74/45/564477445.db2.gz FVRPAYXDBWKJFE-KOLCDFICSA-N -1 1 378.834 2.504 20 5 GFBDMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000532407708 564937427 /nfs/dbraw/zinc/93/74/27/564937427.db2.gz HEXBWFJPXWWYAG-UHFFFAOYSA-N -1 1 394.210 2.878 20 5 GFBDMM CC(C)SCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588134419 565127433 /nfs/dbraw/zinc/12/74/33/565127433.db2.gz QHNMMIVPNHCAGB-UHFFFAOYSA-N -1 1 383.289 2.777 20 5 GFBDMM Cc1nn(-c2ccccc2)c(COc2cc(F)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822486248 607327604 /nfs/dbraw/zinc/32/76/04/607327604.db2.gz CXWDPRRGYUUXCW-UHFFFAOYSA-N -1 1 395.354 2.987 20 5 GFBDMM CN(C)[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000830581772 601108641 /nfs/dbraw/zinc/10/86/41/601108641.db2.gz QWBNBVWHEZGCNH-MRXNPFEDSA-N -1 1 391.811 2.979 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[N+](=O)[O-] ZINC000827097628 604837603 /nfs/dbraw/zinc/83/76/03/604837603.db2.gz UNSLMYSBOOKEIV-UHFFFAOYSA-N -1 1 397.391 2.819 20 5 GFBDMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000833549864 604942194 /nfs/dbraw/zinc/94/21/94/604942194.db2.gz HIPSVRWSWHRBAM-ZDUSSCGKSA-N -1 1 398.419 2.643 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000834187104 605448969 /nfs/dbraw/zinc/44/89/69/605448969.db2.gz YHDWAHDKHICUEU-NWANDNLSSA-N -1 1 387.396 2.513 20 5 GFBDMM CCC(CC)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820893510 606645445 /nfs/dbraw/zinc/64/54/45/606645445.db2.gz PMTPRWMPIYYLDS-UHFFFAOYSA-N -1 1 387.444 2.614 20 5 GFBDMM CC(C)OCCOCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820146570 606702886 /nfs/dbraw/zinc/70/28/86/606702886.db2.gz OFDLVFXQCUQCIT-UHFFFAOYSA-N -1 1 399.411 2.855 20 5 GFBDMM CC(C)OCCOCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820146570 606702889 /nfs/dbraw/zinc/70/28/89/606702889.db2.gz OFDLVFXQCUQCIT-UHFFFAOYSA-N -1 1 399.411 2.855 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(-c2ccccc2)s1 ZINC000823629709 606709495 /nfs/dbraw/zinc/70/94/95/606709495.db2.gz FMEXPKGEPQIBFL-UHFFFAOYSA-N -1 1 384.406 2.840 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(-c2ccccc2)s1 ZINC000823629709 606709497 /nfs/dbraw/zinc/70/94/97/606709497.db2.gz FMEXPKGEPQIBFL-UHFFFAOYSA-N -1 1 384.406 2.840 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823619865 606717194 /nfs/dbraw/zinc/71/71/94/606717194.db2.gz CFGLERDSPQRKKD-NSHDSACASA-N -1 1 386.803 2.514 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823619865 606717196 /nfs/dbraw/zinc/71/71/96/606717196.db2.gz CFGLERDSPQRKKD-NSHDSACASA-N -1 1 386.803 2.514 20 5 GFBDMM Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC000821132626 660316977 /nfs/dbraw/zinc/31/69/77/660316977.db2.gz ULVLATVESMOVPZ-UHFFFAOYSA-N -1 1 377.300 2.702 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC000830669177 660671334 /nfs/dbraw/zinc/67/13/34/660671334.db2.gz ZWBXONVLIKFURW-ZETCQYMHSA-N -1 1 379.225 2.675 20 5 GFBDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000832523505 660784220 /nfs/dbraw/zinc/78/42/20/660784220.db2.gz HHQYQGPLSODNKZ-UHLUBPPHSA-N -1 1 383.253 2.993 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCS1 ZINC000126222492 654810566 /nfs/dbraw/zinc/81/05/66/654810566.db2.gz ZJHWTEAAYSDLMI-LBPRGKRZSA-N -1 1 395.300 2.921 20 5 GFBDMM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000104745334 655085417 /nfs/dbraw/zinc/08/54/17/655085417.db2.gz RJKMNEXMSZQJBR-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160215047 655119990 /nfs/dbraw/zinc/11/99/90/655119990.db2.gz XIKKJUBINBOTPP-UHFFFAOYSA-N -1 1 375.244 2.826 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000195020010 655418557 /nfs/dbraw/zinc/41/85/57/655418557.db2.gz OPVHFECBCIDWNA-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1Cl ZINC000753768073 655858043 /nfs/dbraw/zinc/85/80/43/655858043.db2.gz AINPDASRPMLXTJ-UHFFFAOYSA-N -1 1 385.785 2.638 20 5 GFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1[N+](=O)[O-] ZINC000777678164 656832718 /nfs/dbraw/zinc/83/27/18/656832718.db2.gz IWDMUUHUWLVUOT-UHFFFAOYSA-N -1 1 386.773 2.622 20 5 GFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)cc1I ZINC000795578686 658832486 /nfs/dbraw/zinc/83/24/86/658832486.db2.gz CGTYJWGUUWFTNL-UHFFFAOYSA-N -1 1 396.206 2.741 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1O ZINC000795850414 658858891 /nfs/dbraw/zinc/85/88/91/658858891.db2.gz JDFNFTRTIVRCEW-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796008842 658879959 /nfs/dbraw/zinc/87/99/59/658879959.db2.gz KQOVHNZDUMQNPZ-HNNXBMFYSA-N -1 1 384.841 2.823 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000809389205 659925782 /nfs/dbraw/zinc/92/57/82/659925782.db2.gz VJIZAKHCSFALRZ-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCCC2)c1Cl ZINC000809391135 659926134 /nfs/dbraw/zinc/92/61/34/659926134.db2.gz OQXVYGBYGDIJQI-UHFFFAOYSA-N -1 1 382.269 2.666 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOc2cccnc2)c(Cl)cc1Cl ZINC000809816306 659941712 /nfs/dbraw/zinc/94/17/12/659941712.db2.gz HDZGLKCWQFWINQ-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c(Cl)cc1Cl ZINC000809818827 659942300 /nfs/dbraw/zinc/94/23/00/659942300.db2.gz JZHALORNLYXAPY-SNVBAGLBSA-N -1 1 381.193 2.507 20 5 GFBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819159 659942304 /nfs/dbraw/zinc/94/23/04/659942304.db2.gz NZBXMKXWMJQDBV-ISVAXAHUSA-N -1 1 385.269 2.977 20 5 GFBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818803 659942333 /nfs/dbraw/zinc/94/23/33/659942333.db2.gz JPQPTDDHDWBCLU-LBPRGKRZSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000809827225 659944937 /nfs/dbraw/zinc/94/49/37/659944937.db2.gz HMHSPLKAKSULLB-QMTHXVAHSA-N -1 1 394.852 2.997 20 5 GFBDMM CSc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)ccn1 ZINC000809829266 659945706 /nfs/dbraw/zinc/94/57/06/659945706.db2.gz BUEHJQABVUOPKR-UHFFFAOYSA-N -1 1 391.833 2.983 20 5 GFBDMM CCCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809831401 659946483 /nfs/dbraw/zinc/94/64/83/659946483.db2.gz UKJMDVRMZNKURA-JTQLQIEISA-N -1 1 399.252 2.912 20 5 GFBDMM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835054 659947177 /nfs/dbraw/zinc/94/71/77/659947177.db2.gz HPNOHTIIPVBAAT-QMMMGPOBSA-N -1 1 389.792 2.830 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc1 ZINC000809838999 659947876 /nfs/dbraw/zinc/94/78/76/659947876.db2.gz DXMHQGFATFVOBY-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814975317 660099306 /nfs/dbraw/zinc/09/93/06/660099306.db2.gz BVIBDTICQVJBAY-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000814987254 660100026 /nfs/dbraw/zinc/10/00/26/660100026.db2.gz ZSDKOGKYIJOBIK-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2(CO)CCC2)c1Cl ZINC000846018542 661522493 /nfs/dbraw/zinc/52/24/93/661522493.db2.gz JHDMMQRLMFRTMG-UHFFFAOYSA-N -1 1 383.253 2.733 20 5 GFBDMM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856918 661839387 /nfs/dbraw/zinc/83/93/87/661839387.db2.gz IRBHDRPZDVCZHA-NHYWBVRUSA-N -1 1 384.841 2.691 20 5 GFBDMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859292293 662150384 /nfs/dbraw/zinc/15/03/84/662150384.db2.gz WTPOHLJCVJVKAB-UHLUBPPHSA-N -1 1 381.237 2.747 20 5 GFBDMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)CO1 ZINC000907732243 664056636 /nfs/dbraw/zinc/05/66/36/664056636.db2.gz PDOYLIRYTYUMEG-NQTXRORDSA-N -1 1 378.809 2.623 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000917730890 664489377 /nfs/dbraw/zinc/48/93/77/664489377.db2.gz HYWHNFRUWSDABV-UHFFFAOYSA-N -1 1 386.769 2.786 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 ZINC000146678137 551397216 /nfs/dbraw/zinc/39/72/16/551397216.db2.gz FJSIZHUQKZHLSV-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000172332445 551676692 /nfs/dbraw/zinc/67/66/92/551676692.db2.gz YOVPXBUCYHIUAH-UHFFFAOYSA-N -1 1 386.426 2.780 20 5 GFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000328348372 563460954 /nfs/dbraw/zinc/46/09/54/563460954.db2.gz XPLSEYDWSXGBDR-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000289761746 563685669 /nfs/dbraw/zinc/68/56/69/563685669.db2.gz HCMLWZCXVPVGOT-AWEZNQCLSA-N -1 1 388.442 2.834 20 5 GFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000438249185 563703492 /nfs/dbraw/zinc/70/34/92/563703492.db2.gz IEYZIWTXEQTAMM-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416381063 563820720 /nfs/dbraw/zinc/82/07/20/563820720.db2.gz ADXOQPSYPHWSST-UHFFFAOYSA-N -1 1 379.316 2.697 20 5 GFBDMM Cc1cc(Br)cc2c1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000445147072 563844490 /nfs/dbraw/zinc/84/44/90/563844490.db2.gz RKZAXFADCTXXIK-UHFFFAOYSA-N -1 1 392.209 2.965 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1csnn1 ZINC000416629627 563855484 /nfs/dbraw/zinc/85/54/84/563855484.db2.gz GYCOYZMVTPAYAN-LURJTMIESA-N -1 1 382.345 2.505 20 5 GFBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446937685 563870251 /nfs/dbraw/zinc/87/02/51/563870251.db2.gz FOPUVEYTEROJKS-UHFFFAOYSA-N -1 1 377.300 2.823 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000446970411 563871664 /nfs/dbraw/zinc/87/16/64/563871664.db2.gz AIGOGXSXRGEFLX-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000471109268 564185684 /nfs/dbraw/zinc/18/56/84/564185684.db2.gz WSBZKRNBFPNWBM-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1[N+](=O)[O-] ZINC000508085805 564252426 /nfs/dbraw/zinc/25/24/26/564252426.db2.gz BAAVNZLORMCCCD-LLVKDONJSA-N -1 1 388.751 2.556 20 5 GFBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C(=O)OC)ns1 ZINC000567991817 564399749 /nfs/dbraw/zinc/39/97/49/564399749.db2.gz AHNXAISSJRMLPW-UHFFFAOYSA-N -1 1 382.423 2.987 20 5 GFBDMM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480602131 564479159 /nfs/dbraw/zinc/47/91/59/564479159.db2.gz ARMAXFLIRGPQEI-CQSZACIVSA-N -1 1 384.479 2.973 20 5 GFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548195969 564535049 /nfs/dbraw/zinc/53/50/49/564535049.db2.gz ICCKIJAOBCETOB-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000548218386 564538178 /nfs/dbraw/zinc/53/81/78/564538178.db2.gz YIGVTHZSMWSYIJ-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000548697156 564571351 /nfs/dbraw/zinc/57/13/51/564571351.db2.gz LWACDUQIROECSV-VIFPVBQESA-N -1 1 382.269 2.664 20 5 GFBDMM Cn1c(=O)ccc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc21 ZINC000486014637 564635346 /nfs/dbraw/zinc/63/53/46/564635346.db2.gz CDWQEDJXVNWMJJ-UHFFFAOYSA-N -1 1 379.419 2.655 20 5 GFBDMM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)cc1[N+](=O)[O-] ZINC000573445658 564638429 /nfs/dbraw/zinc/63/84/29/564638429.db2.gz POOQLECULTZKCE-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc2C1 ZINC000557121458 564855074 /nfs/dbraw/zinc/85/50/74/564855074.db2.gz KDVLVTBSVGXBIF-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000562920796 565047771 /nfs/dbraw/zinc/04/77/71/565047771.db2.gz RZEIRSIDTYACAX-UHFFFAOYSA-N -1 1 385.804 2.949 20 5 GFBDMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592074876 565253079 /nfs/dbraw/zinc/25/30/79/565253079.db2.gz GEARHMYPKOFVHF-SNVBAGLBSA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2O)ccc1[O-] ZINC000610254150 566072885 /nfs/dbraw/zinc/07/28/85/566072885.db2.gz BUHRFTFYQCXVJF-UHFFFAOYSA-N -1 1 389.183 2.569 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(CCCOc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000738372529 599523191 /nfs/dbraw/zinc/52/31/91/599523191.db2.gz RSBHWQAGEOTQAL-UHFFFAOYSA-N -1 1 392.375 2.559 20 5 GFBDMM CN(Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825991495 607450571 /nfs/dbraw/zinc/45/05/71/607450571.db2.gz CBGAGXKDEIPKGO-UHFFFAOYSA-N -1 1 376.380 2.597 20 5 GFBDMM CN(Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825991495 607450572 /nfs/dbraw/zinc/45/05/72/607450572.db2.gz CBGAGXKDEIPKGO-UHFFFAOYSA-N -1 1 376.380 2.597 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2ccc(OCC(F)(F)F)nc2)ccc1-c1nn[n-]n1 ZINC000823635484 607498239 /nfs/dbraw/zinc/49/82/39/607498239.db2.gz XRXOSOMDCMMEPF-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM COc1ccnc(N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000832637557 604264069 /nfs/dbraw/zinc/26/40/69/604264069.db2.gz UYFWGZLZALORIL-UHFFFAOYSA-N -1 1 392.799 2.677 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC([C@@H](O)c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823635315 606645255 /nfs/dbraw/zinc/64/52/55/606645255.db2.gz VQXPNPVBAZFDLX-SFHVURJKSA-N -1 1 380.408 2.725 20 5 GFBDMM COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Br ZINC000821837687 606709706 /nfs/dbraw/zinc/70/97/06/606709706.db2.gz FRPABPGKFDVRQN-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM COc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Br ZINC000821837687 606709707 /nfs/dbraw/zinc/70/97/07/606709707.db2.gz FRPABPGKFDVRQN-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000823629953 607166738 /nfs/dbraw/zinc/16/67/38/607166738.db2.gz NPECCJIXNSXCSC-UHFFFAOYSA-N -1 1 387.429 2.562 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000823629953 607166739 /nfs/dbraw/zinc/16/67/39/607166739.db2.gz NPECCJIXNSXCSC-UHFFFAOYSA-N -1 1 387.429 2.562 20 5 GFBDMM CC(C)(C)c1cc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)no1 ZINC000824129709 608159052 /nfs/dbraw/zinc/15/90/52/608159052.db2.gz FKERSTGHXOTUEP-UHFFFAOYSA-N -1 1 391.775 2.966 20 5 GFBDMM CC(C)c1cc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)no1 ZINC000824341970 608160924 /nfs/dbraw/zinc/16/09/24/608160924.db2.gz GKHNEFSKEIJPIK-UHFFFAOYSA-N -1 1 377.748 2.792 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOCC(F)(F)F)c1Cl ZINC000829875903 660619096 /nfs/dbraw/zinc/61/90/96/660619096.db2.gz DQIIYBOAYFGJBE-UHFFFAOYSA-N -1 1 397.158 2.759 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000029834913 654580113 /nfs/dbraw/zinc/58/01/13/654580113.db2.gz PTXSRWLZWRJYPK-UHFFFAOYSA-N -1 1 383.769 2.792 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc3ccccc3s2)s1 ZINC000126416761 654813950 /nfs/dbraw/zinc/81/39/50/654813950.db2.gz ANCGSDJUMZGUKL-SNVBAGLBSA-N -1 1 384.460 2.883 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)s1 ZINC000102775696 655060758 /nfs/dbraw/zinc/06/07/58/655060758.db2.gz PQKZCJFQGBYOGA-NSHDSACASA-N -1 1 387.508 2.833 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000115584432 655239316 /nfs/dbraw/zinc/23/93/16/655239316.db2.gz HGHFPFYOCSNJRU-LLVKDONJSA-N -1 1 391.421 2.516 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1[N+](=O)[O-] ZINC000116712276 655252222 /nfs/dbraw/zinc/25/22/22/655252222.db2.gz MBEXZVTXQYAABG-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM O=C(COC(=O)c1ccc(Br)c([O-])c1)Nc1ccccc1[N+](=O)[O-] ZINC000750549515 655814955 /nfs/dbraw/zinc/81/49/55/655814955.db2.gz AAPMYBXWOICSHS-UHFFFAOYSA-N -1 1 395.165 2.858 20 5 GFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000766792085 656183513 /nfs/dbraw/zinc/18/35/13/656183513.db2.gz NWAKPOXXPVOSFE-UHFFFAOYSA-N -1 1 377.260 2.712 20 5 GFBDMM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768890568 656259149 /nfs/dbraw/zinc/25/91/49/656259149.db2.gz XCPBUNCGQYQFHO-UHFFFAOYSA-N -1 1 384.391 2.505 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000778050513 656857780 /nfs/dbraw/zinc/85/77/80/656857780.db2.gz POBZMATWXWOKNX-UHFFFAOYSA-N -1 1 391.814 2.739 20 5 GFBDMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000788490491 657729070 /nfs/dbraw/zinc/72/90/70/657729070.db2.gz HQJUHPNKIZAQGV-CYBMUJFWSA-N -1 1 383.451 2.842 20 5 GFBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791032564 658055141 /nfs/dbraw/zinc/05/51/41/658055141.db2.gz XRTKHCSKIKHTLO-UHFFFAOYSA-N -1 1 390.197 2.573 20 5 GFBDMM CC(C)OCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795761653 658848218 /nfs/dbraw/zinc/84/82/18/658848218.db2.gz YKDQVSUNNCBWCJ-UHFFFAOYSA-N -1 1 399.238 2.590 20 5 GFBDMM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809812180 659940992 /nfs/dbraw/zinc/94/09/92/659940992.db2.gz BAXIAJRENRIULU-LBPRGKRZSA-N -1 1 385.225 2.522 20 5 GFBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809819548 659942290 /nfs/dbraw/zinc/94/22/90/659942290.db2.gz WUIDWMJQJXFAKG-VIFPVBQESA-N -1 1 388.804 2.919 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCSCC(F)(F)F)cc1Cl ZINC000809829750 659946075 /nfs/dbraw/zinc/94/60/75/659946075.db2.gz LTNYXOFVEDYFJN-UHFFFAOYSA-N -1 1 396.771 2.961 20 5 GFBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014747 660101471 /nfs/dbraw/zinc/10/14/71/660101471.db2.gz ACXHYRWPPIZOQW-SSDOTTSWSA-N -1 1 391.808 2.902 20 5 GFBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000815016092 660101633 /nfs/dbraw/zinc/10/16/33/660101633.db2.gz YDNLJKSRFUXPIY-VIFPVBQESA-N -1 1 388.804 2.919 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000815017408 660101857 /nfs/dbraw/zinc/10/18/57/660101857.db2.gz KOPAAEVVJVRREX-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000815038470 660105722 /nfs/dbraw/zinc/10/57/22/660105722.db2.gz JLIKWNFPBAOQJC-NSHDSACASA-N -1 1 391.852 2.683 20 5 GFBDMM Cc1nccnc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815078262 660110137 /nfs/dbraw/zinc/11/01/37/660110137.db2.gz UEGGKKMJADDCKX-UHFFFAOYSA-N -1 1 391.236 2.521 20 5 GFBDMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841555495 661299505 /nfs/dbraw/zinc/29/95/05/661299505.db2.gz HKWBTOBXEWCNSO-SECBINFHSA-N -1 1 397.236 2.522 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H](C)O1 ZINC000841561867 661301803 /nfs/dbraw/zinc/30/18/03/661301803.db2.gz ZPDMLZVBDCOTLR-HRDYMLBCSA-N -1 1 383.253 2.993 20 5 GFBDMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849419780 661720467 /nfs/dbraw/zinc/72/04/67/661720467.db2.gz OVWFBLPZJIIYTJ-JTQLQIEISA-N -1 1 380.825 2.871 20 5 GFBDMM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cn1 ZINC000531888972 532640264 /nfs/dbraw/zinc/64/02/64/532640264.db2.gz JTJNLNRPGWVKPN-UHFFFAOYSA-N -1 1 389.169 2.790 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167281493 551632842 /nfs/dbraw/zinc/63/28/42/551632842.db2.gz ASIMZUXKMHNEDQ-VQISRLSMSA-N -1 1 386.857 2.874 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000173831224 552093177 /nfs/dbraw/zinc/09/31/77/552093177.db2.gz QJBPXMOGNNJMDS-GFCCVEGCSA-N -1 1 395.275 2.697 20 5 GFBDMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175651397 552126423 /nfs/dbraw/zinc/12/64/23/552126423.db2.gz BIPJUTGMAKHDDR-LYSPQLLHSA-N -1 1 394.902 2.606 20 5 GFBDMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186946629 552402517 /nfs/dbraw/zinc/40/25/17/552402517.db2.gz IDQBKXBATHMUQP-VIFPVBQESA-N -1 1 380.198 2.819 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1Cl ZINC000295227241 563237033 /nfs/dbraw/zinc/23/70/33/563237033.db2.gz YOMHLRNKIURFCQ-WPRPVWTQSA-N -1 1 383.253 2.731 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425190613 563409405 /nfs/dbraw/zinc/40/94/05/563409405.db2.gz FFTBCPGTGVLOOZ-UHFFFAOYSA-N -1 1 396.799 2.921 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1 ZINC000432198230 563577040 /nfs/dbraw/zinc/57/70/40/563577040.db2.gz LESGDXBRAKCJBQ-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000471882958 564206156 /nfs/dbraw/zinc/20/61/56/564206156.db2.gz CSWMAIOEIHZNPX-JTQLQIEISA-N -1 1 378.472 2.691 20 5 GFBDMM CC[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000575767629 564704101 /nfs/dbraw/zinc/70/41/01/564704101.db2.gz MKCNKDAUNJYCFX-SSDOTTSWSA-N -1 1 385.225 2.681 20 5 GFBDMM O=C([O-])[C@H](CC1CCC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000530420288 564880599 /nfs/dbraw/zinc/88/05/99/564880599.db2.gz VBHRGJXWCIVOQY-JTQLQIEISA-N -1 1 397.236 2.823 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000530856877 564895969 /nfs/dbraw/zinc/89/59/69/564895969.db2.gz GSXKBTWMWMIOOK-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122120 564954944 /nfs/dbraw/zinc/95/49/44/564954944.db2.gz IDAMJNDLYOKFPT-SNVBAGLBSA-N -1 1 378.435 2.509 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456497 565013935 /nfs/dbraw/zinc/01/39/35/565013935.db2.gz WHHUBNMKDXMNII-ABAIWWIYSA-N -1 1 390.845 2.648 20 5 GFBDMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383033 565471765 /nfs/dbraw/zinc/47/17/65/565471765.db2.gz YAYWQKYTLOSXAZ-XHDPSFHLSA-N -1 1 384.841 2.691 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(C)c1[N+](=O)[O-] ZINC000598711896 565637319 /nfs/dbraw/zinc/63/73/19/565637319.db2.gz HKHCYWQGSDFQOE-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCN(CC(F)F)CC1 ZINC000603371968 565901250 /nfs/dbraw/zinc/90/12/50/565901250.db2.gz ZUGFIPOYLPUVBU-UHFFFAOYSA-N -1 1 397.831 2.504 20 5 GFBDMM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021683 566111026 /nfs/dbraw/zinc/11/10/26/566111026.db2.gz AZEKZUYKGNUGPH-FZMZJTMJSA-N -1 1 384.841 2.691 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000611019643 566111225 /nfs/dbraw/zinc/11/12/25/566111225.db2.gz UTRGTHFJKRQNRI-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c([N+](=O)[O-])c1 ZINC000740177101 599854174 /nfs/dbraw/zinc/85/41/74/599854174.db2.gz BYRHTOUJNADNCA-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2cccc3c2OCCO3)ccc1-c1nn[n-]n1 ZINC000826497944 607452448 /nfs/dbraw/zinc/45/24/48/607452448.db2.gz ACARVGRMIWOUOY-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)ccc1[N+](=O)[O-] ZINC000740093539 603420803 /nfs/dbraw/zinc/42/08/03/603420803.db2.gz LJQXWFSEBRWYTF-UHFFFAOYSA-N -1 1 391.405 2.740 20 5 GFBDMM COc1ccc(CNC2CN(C(=O)[O-])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000832346216 604420415 /nfs/dbraw/zinc/42/04/15/604420415.db2.gz KYXUUSMNLSEIFL-UHFFFAOYSA-N -1 1 387.392 2.634 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000834180691 605451307 /nfs/dbraw/zinc/45/13/07/605451307.db2.gz KURZYTQMQAVGDI-BPLDGKMQSA-N -1 1 387.396 2.513 20 5 GFBDMM O=C([O-])N1CCc2cccc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c21 ZINC000834123532 605607050 /nfs/dbraw/zinc/60/70/50/605607050.db2.gz SZDWWKTUDDYDSV-HNNXBMFYSA-N -1 1 383.408 2.717 20 5 GFBDMM COc1ccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821777830 606707775 /nfs/dbraw/zinc/70/77/75/606707775.db2.gz MREOJNINICWZLD-UHFFFAOYSA-N -1 1 399.411 2.577 20 5 GFBDMM COc1ccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821777830 606707777 /nfs/dbraw/zinc/70/77/77/606707777.db2.gz MREOJNINICWZLD-UHFFFAOYSA-N -1 1 399.411 2.577 20 5 GFBDMM CC1CCC(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)CC1 ZINC000820689845 606709300 /nfs/dbraw/zinc/70/93/00/606709300.db2.gz CWGKQYYQGMCWCT-UHFFFAOYSA-N -1 1 387.444 2.734 20 5 GFBDMM CC1CCC(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)CC1 ZINC000820689845 606709302 /nfs/dbraw/zinc/70/93/02/606709302.db2.gz CWGKQYYQGMCWCT-UHFFFAOYSA-N -1 1 387.444 2.734 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(Br)ccc1F ZINC000823624955 607168331 /nfs/dbraw/zinc/16/83/31/607168331.db2.gz MEESCAUZTNOKCJ-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(Br)ccc1F ZINC000823624955 607168333 /nfs/dbraw/zinc/16/83/33/607168333.db2.gz MEESCAUZTNOKCJ-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1ccc(-c2nnc(COc3cccc(F)c3-c3nnn[n-]3)o2)cc1 ZINC000826498202 607864212 /nfs/dbraw/zinc/86/42/12/607864212.db2.gz LATAHARGJXFRTO-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM O=[N+]([O-])c1ccc(-c2nnc(COc3cccc(F)c3-c3nn[n-]n3)o2)cc1 ZINC000826498202 607864213 /nfs/dbraw/zinc/86/42/13/607864213.db2.gz LATAHARGJXFRTO-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000825796924 607902044 /nfs/dbraw/zinc/90/20/44/607902044.db2.gz PRRKYWNQHUWOOV-UHFFFAOYSA-N -1 1 395.408 2.600 20 5 GFBDMM CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000825796924 607902045 /nfs/dbraw/zinc/90/20/45/607902045.db2.gz PRRKYWNQHUWOOV-UHFFFAOYSA-N -1 1 395.408 2.600 20 5 GFBDMM Cn1c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826354932 608348059 /nfs/dbraw/zinc/34/80/59/608348059.db2.gz BZOPVFZWENLMJR-UHFFFAOYSA-N -1 1 375.414 2.725 20 5 GFBDMM Cn1c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826354932 608348061 /nfs/dbraw/zinc/34/80/61/608348061.db2.gz BZOPVFZWENLMJR-UHFFFAOYSA-N -1 1 375.414 2.725 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC3 ZINC000826293333 609435294 /nfs/dbraw/zinc/43/52/94/609435294.db2.gz LGEPBEJFINWEOR-NSHDSACASA-N -1 1 390.407 2.929 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC3 ZINC000826293333 609435295 /nfs/dbraw/zinc/43/52/95/609435295.db2.gz LGEPBEJFINWEOR-NSHDSACASA-N -1 1 390.407 2.929 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H]2CCO[C@@H]21 ZINC000830665096 660670569 /nfs/dbraw/zinc/67/05/69/660670569.db2.gz YHDQNSBLVUSFBE-BLBGDKDGSA-N -1 1 395.264 2.993 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000047671161 654699204 /nfs/dbraw/zinc/69/92/04/654699204.db2.gz GDCRFXLSDRVZEG-UHFFFAOYSA-N -1 1 376.312 2.814 20 5 GFBDMM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243794 654864517 /nfs/dbraw/zinc/86/45/17/654864517.db2.gz ZYQDWTHKGYOAAI-UHFFFAOYSA-N -1 1 380.451 2.683 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)s1 ZINC000066000413 654892312 /nfs/dbraw/zinc/89/23/12/654892312.db2.gz WIAUREHCVPDGSO-UHFFFAOYSA-N -1 1 383.270 2.959 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)s1 ZINC000066106172 654894816 /nfs/dbraw/zinc/89/48/16/654894816.db2.gz GJJXBTLIUFVXBG-UHFFFAOYSA-N -1 1 387.508 2.903 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000135011882 655007391 /nfs/dbraw/zinc/00/73/91/655007391.db2.gz VZAZVYPNKKHLQV-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000156394686 655092642 /nfs/dbraw/zinc/09/26/42/655092642.db2.gz ILUQBGFJCFVPPZ-SNVBAGLBSA-N -1 1 395.300 2.921 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)s1 ZINC000106894503 655113598 /nfs/dbraw/zinc/11/35/98/655113598.db2.gz KEPDZWZGDYLTKB-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000734848002 655635375 /nfs/dbraw/zinc/63/53/75/655635375.db2.gz GVTHKYUUEYFCAR-CYBMUJFWSA-N -1 1 382.829 2.703 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751437963 655827306 /nfs/dbraw/zinc/82/73/06/655827306.db2.gz TZIBRQVRJKBYKR-JTQLQIEISA-N -1 1 376.843 2.712 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751439349 655827451 /nfs/dbraw/zinc/82/74/51/655827451.db2.gz ZWTDDHFSYPLLQG-JTQLQIEISA-N -1 1 376.843 2.712 20 5 GFBDMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751987408 655837850 /nfs/dbraw/zinc/83/78/50/655837850.db2.gz MKTURPNLYSDUCK-NHYWBVRUSA-N -1 1 376.862 2.978 20 5 GFBDMM CCCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000751990329 655838112 /nfs/dbraw/zinc/83/81/12/655838112.db2.gz XMOWUHARRVDURJ-NSHDSACASA-N -1 1 378.834 2.648 20 5 GFBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000841528150 661291222 /nfs/dbraw/zinc/29/12/22/661291222.db2.gz REVSYBCGANARNZ-VIFPVBQESA-N -1 1 380.825 2.871 20 5 GFBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCCO ZINC000782261774 657121835 /nfs/dbraw/zinc/12/18/35/657121835.db2.gz RZILXBSYUJOXPB-UHFFFAOYSA-N -1 1 386.813 2.729 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)CCc1ccccc1 ZINC000784479455 657312578 /nfs/dbraw/zinc/31/25/78/657312578.db2.gz ZSZQVKPLTXSHTP-AWEZNQCLSA-N -1 1 384.841 2.520 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2ccccn2)c(Cl)cc1Cl ZINC000791419172 658094353 /nfs/dbraw/zinc/09/43/53/658094353.db2.gz WZKQYILWOPYQFD-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCOCC2CC2)c(Cl)cc1Cl ZINC000791418101 658094579 /nfs/dbraw/zinc/09/45/79/658094579.db2.gz WOCOHVSAWHLWQL-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC1CCC1 ZINC000795883209 658867307 /nfs/dbraw/zinc/86/73/07/658867307.db2.gz WSOVFNVRDTZAAD-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC[C@H]1O ZINC000809823188 659943595 /nfs/dbraw/zinc/94/35/95/659943595.db2.gz IQXGGBXGQDUMOK-KGLIPLIRSA-N -1 1 380.825 2.607 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809823326 659943974 /nfs/dbraw/zinc/94/39/74/659943974.db2.gz LJLABNZWMQEOCI-UHFFFAOYSA-N -1 1 397.236 2.666 20 5 GFBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809827369 659945008 /nfs/dbraw/zinc/94/50/08/659945008.db2.gz MHUPWSBHVYGSAZ-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM Cc1ncc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809827396 659945013 /nfs/dbraw/zinc/94/50/13/659945013.db2.gz NBYFYEZQVICIIT-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831850 659946746 /nfs/dbraw/zinc/94/67/46/659946746.db2.gz IJJPEYRGFKVQAR-HTQZYQBOSA-N -1 1 399.252 2.768 20 5 GFBDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000811675906 660014124 /nfs/dbraw/zinc/01/41/24/660014124.db2.gz OIOMHMKCDOVKTO-UHFFFAOYSA-N -1 1 384.797 2.765 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(F)cc1 ZINC000815014760 660101407 /nfs/dbraw/zinc/10/14/07/660101407.db2.gz AIYZOAAUHNRZGC-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000815020718 660102473 /nfs/dbraw/zinc/10/24/73/660102473.db2.gz DHYNXLLGOSCPTG-ZIAGYGMSSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000815033298 660104610 /nfs/dbraw/zinc/10/46/10/660104610.db2.gz XXTAGHJUGHVHJU-UHFFFAOYSA-N -1 1 385.804 2.792 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000815075257 660109667 /nfs/dbraw/zinc/10/96/67/660109667.db2.gz TYDXGPSSLUGOGX-LBPRGKRZSA-N -1 1 376.862 2.715 20 5 GFBDMM COc1cc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl ZINC000815098066 660111798 /nfs/dbraw/zinc/11/17/98/660111798.db2.gz CQKPNONOLAQUHF-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H](O)C(C)C ZINC000841561888 661301688 /nfs/dbraw/zinc/30/16/88/661301688.db2.gz QQFDLUKHAQZEBY-JOYOIKCWSA-N -1 1 385.269 2.975 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](O)C(C)C ZINC000841562409 661302098 /nfs/dbraw/zinc/30/20/98/661302098.db2.gz YWCJQCGBECNWER-ZWNOBZJWSA-N -1 1 385.269 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000856746900 662040664 /nfs/dbraw/zinc/04/06/64/662040664.db2.gz DUTJGANHUJTASI-SSDOTTSWSA-N -1 1 385.186 2.681 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1Cl ZINC000859251708 662147812 /nfs/dbraw/zinc/14/78/12/662147812.db2.gz CDQFGDFSPBWAAM-VIFPVBQESA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOC1CCSCC1 ZINC000908452126 664107371 /nfs/dbraw/zinc/10/73/71/664107371.db2.gz HKCRIAICGSDRAR-UHFFFAOYSA-N -1 1 398.865 2.578 20 5 GFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000185799324 552370814 /nfs/dbraw/zinc/37/08/14/552370814.db2.gz OQELCNQQIQSQPR-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c(Cl)cc1Cl ZINC000377883760 563489945 /nfs/dbraw/zinc/48/99/45/563489945.db2.gz LABPNKVXRIXFJB-KOLSJAJHSA-N -1 1 381.237 2.747 20 5 GFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC000433443841 563612965 /nfs/dbraw/zinc/61/29/65/563612965.db2.gz ODJFDIJOTSICCD-JTQLQIEISA-N -1 1 378.834 2.506 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000290692090 563718407 /nfs/dbraw/zinc/71/84/07/563718407.db2.gz HWCREKPTGBXQQZ-VIFPVBQESA-N -1 1 378.809 2.767 20 5 GFBDMM CC[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)OCCc2ccccc21 ZINC000564353575 564229913 /nfs/dbraw/zinc/22/99/13/564229913.db2.gz BHLQCCRKHXMCOD-MRXNPFEDSA-N -1 1 382.463 2.813 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000541801972 564289810 /nfs/dbraw/zinc/28/98/10/564289810.db2.gz QXQMLDJLZMMVKF-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000520038198 564595923 /nfs/dbraw/zinc/59/59/23/564595923.db2.gz OUGDQWZWYRUYID-SECBINFHSA-N -1 1 380.198 2.819 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490139795 564764474 /nfs/dbraw/zinc/76/44/74/564764474.db2.gz OIJQOKRFYSZOKH-AWEZNQCLSA-N -1 1 376.862 2.714 20 5 GFBDMM O=C(NCc1nc2cc(Br)ccc2o1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000556906159 564845408 /nfs/dbraw/zinc/84/54/08/564845408.db2.gz YJOFFGVDJMABNI-UHFFFAOYSA-N -1 1 393.153 2.529 20 5 GFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccnn1C ZINC000615946525 565180525 /nfs/dbraw/zinc/18/05/25/565180525.db2.gz ADIKDUQEHMDSRZ-LLVKDONJSA-N -1 1 386.861 2.700 20 5 GFBDMM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383032 565471336 /nfs/dbraw/zinc/47/13/36/565471336.db2.gz YAYWQKYTLOSXAZ-NHYWBVRUSA-N -1 1 384.841 2.691 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000599479935 565683206 /nfs/dbraw/zinc/68/32/06/565683206.db2.gz NVUDQRXUFPIKGA-ZDUSSCGKSA-N -1 1 384.845 2.821 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(Cc2ccccc2Br)C1 ZINC000600757247 565748354 /nfs/dbraw/zinc/74/83/54/565748354.db2.gz RHRVPBHFCHTPDG-UHFFFAOYSA-N -1 1 392.209 2.773 20 5 GFBDMM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000608838907 566025333 /nfs/dbraw/zinc/02/53/33/566025333.db2.gz COKLGDBDUJULQD-YPMHNXCESA-N -1 1 378.182 2.744 20 5 GFBDMM CC1CCC(N2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000736769285 600610325 /nfs/dbraw/zinc/61/03/25/600610325.db2.gz SGUCNYKIFQOTFP-UHFFFAOYSA-N -1 1 375.425 2.630 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)cc([N+](=O)[O-])c1 ZINC000432197001 600688751 /nfs/dbraw/zinc/68/87/51/600688751.db2.gz UWQGUOOMTXUYEA-UHFFFAOYSA-N -1 1 391.336 2.781 20 5 GFBDMM CCC[C@@](C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000829194128 601007875 /nfs/dbraw/zinc/00/78/75/601007875.db2.gz VZGBJOJDYWDOGB-QGZVFWFLSA-N -1 1 392.437 2.890 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000832097485 602308242 /nfs/dbraw/zinc/30/82/42/602308242.db2.gz BJIYHXPFLCVTKC-UHFFFAOYSA-N -1 1 395.393 2.514 20 5 GFBDMM Cc1c(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242945 607591898 /nfs/dbraw/zinc/59/18/98/607591898.db2.gz MYNXVKXNIMEHJZ-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1c(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826242945 607591899 /nfs/dbraw/zinc/59/18/99/607591899.db2.gz MYNXVKXNIMEHJZ-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C([O-])N1CCC(N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)CC1 ZINC000831942058 603558122 /nfs/dbraw/zinc/55/81/22/603558122.db2.gz LSELHNDVTJIDOZ-UHFFFAOYSA-N -1 1 387.396 2.752 20 5 GFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825649976 603627874 /nfs/dbraw/zinc/62/78/74/603627874.db2.gz ASVOPCQMGGFLBA-NSHDSACASA-N -1 1 377.401 2.931 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830137422 604014277 /nfs/dbraw/zinc/01/42/77/604014277.db2.gz ASNPNJFPGDURIM-UHFFFAOYSA-N -1 1 377.378 2.745 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000834177078 605439581 /nfs/dbraw/zinc/43/95/81/605439581.db2.gz APLXFWHZOJYLTI-AEGPPILISA-N -1 1 387.396 2.513 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2cccnc2OCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823635198 606645114 /nfs/dbraw/zinc/64/51/14/606645114.db2.gz SXLVGGBUSPFUAX-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823436497 606652469 /nfs/dbraw/zinc/65/24/69/606652469.db2.gz YEIRWQNFLJGTIS-UHFFFAOYSA-N -1 1 394.269 2.546 20 5 GFBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823436497 606652470 /nfs/dbraw/zinc/65/24/70/606652470.db2.gz YEIRWQNFLJGTIS-UHFFFAOYSA-N -1 1 394.269 2.546 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000823619870 606698947 /nfs/dbraw/zinc/69/89/47/606698947.db2.gz CIEJYNUEWJMQHI-NSHDSACASA-N -1 1 392.379 2.695 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000823619870 606698948 /nfs/dbraw/zinc/69/89/48/606698948.db2.gz CIEJYNUEWJMQHI-NSHDSACASA-N -1 1 392.379 2.695 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(OC(F)(F)F)cc1 ZINC000823625103 606700643 /nfs/dbraw/zinc/70/06/43/606700643.db2.gz PCKFLJKSNCMDIB-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(OC(F)(F)F)cc1 ZINC000823625103 606700644 /nfs/dbraw/zinc/70/06/44/606700644.db2.gz PCKFLJKSNCMDIB-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM CN(Cc1csc(Br)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821616958 606701531 /nfs/dbraw/zinc/70/15/31/606701531.db2.gz QATCTUWGHPDLJW-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM CN(Cc1csc(Br)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821616958 606701532 /nfs/dbraw/zinc/70/15/32/606701532.db2.gz QATCTUWGHPDLJW-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM CC(C)COc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820103198 606708109 /nfs/dbraw/zinc/70/81/09/606708109.db2.gz PFICMRCJUTWFSQ-UHFFFAOYSA-N -1 1 383.412 2.859 20 5 GFBDMM CC(C)COc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820103198 606708110 /nfs/dbraw/zinc/70/81/10/606708110.db2.gz PFICMRCJUTWFSQ-UHFFFAOYSA-N -1 1 383.412 2.859 20 5 GFBDMM Cc1cccc(NC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822323896 606712269 /nfs/dbraw/zinc/71/22/69/606712269.db2.gz QQNYPDLEYPRZMJ-UHFFFAOYSA-N -1 1 380.412 2.559 20 5 GFBDMM Cc1cccc(NC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822323896 606712270 /nfs/dbraw/zinc/71/22/70/606712270.db2.gz QQNYPDLEYPRZMJ-UHFFFAOYSA-N -1 1 380.412 2.559 20 5 GFBDMM CCOc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OCC ZINC000821417776 607160838 /nfs/dbraw/zinc/16/08/38/607160838.db2.gz RLVLVJBLQUHIFP-UHFFFAOYSA-N -1 1 399.411 2.622 20 5 GFBDMM CCOc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OCC ZINC000821417776 607160839 /nfs/dbraw/zinc/16/08/39/607160839.db2.gz RLVLVJBLQUHIFP-UHFFFAOYSA-N -1 1 399.411 2.622 20 5 GFBDMM CCOc1ccc2[nH]c(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc2c1 ZINC000821427016 607162829 /nfs/dbraw/zinc/16/28/29/607162829.db2.gz MFIXPODNWCIESM-UHFFFAOYSA-N -1 1 384.381 2.596 20 5 GFBDMM CN(Cc1ccc(OC(F)(F)F)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821610986 607167505 /nfs/dbraw/zinc/16/75/05/607167505.db2.gz MSAIDVWXESEBHT-UHFFFAOYSA-N -1 1 395.301 2.705 20 5 GFBDMM CN(Cc1ccc(OC(F)(F)F)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821610986 607167507 /nfs/dbraw/zinc/16/75/07/607167507.db2.gz MSAIDVWXESEBHT-UHFFFAOYSA-N -1 1 395.301 2.705 20 5 GFBDMM CCCN1C(=O)CCc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc21 ZINC000825326405 608297752 /nfs/dbraw/zinc/29/77/52/608297752.db2.gz DJXWVVWHXZBJKL-UHFFFAOYSA-N -1 1 394.395 2.603 20 5 GFBDMM CCCN1C(=O)CCc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC000825326405 608297754 /nfs/dbraw/zinc/29/77/54/608297754.db2.gz DJXWVVWHXZBJKL-UHFFFAOYSA-N -1 1 394.395 2.603 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(F)c(Br)c1 ZINC000826497267 608588637 /nfs/dbraw/zinc/58/86/37/608588637.db2.gz ADRIAHKTVNNTEP-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(F)c(Br)c1 ZINC000826497267 608588638 /nfs/dbraw/zinc/58/86/38/608588638.db2.gz ADRIAHKTVNNTEP-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497859 609172730 /nfs/dbraw/zinc/17/27/30/609172730.db2.gz WVJIQRYYRYVVIX-CQSZACIVSA-N -1 1 395.427 2.971 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497859 609172733 /nfs/dbraw/zinc/17/27/33/609172733.db2.gz WVJIQRYYRYVVIX-CQSZACIVSA-N -1 1 395.427 2.971 20 5 GFBDMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000821185644 660318238 /nfs/dbraw/zinc/31/82/38/660318238.db2.gz PCKNCDAWGFYTGB-UHFFFAOYSA-N -1 1 392.220 2.710 20 5 GFBDMM CCCc1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1 ZINC000126513875 654815327 /nfs/dbraw/zinc/81/53/27/654815327.db2.gz NHUJNARFSGFEDA-UHFFFAOYSA-N -1 1 389.231 2.834 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167282522 655142700 /nfs/dbraw/zinc/14/27/00/655142700.db2.gz CUUVDVFZRFDEAD-DFBGVHRSSA-N -1 1 386.857 2.874 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCN(c2cccs2)CC1 ZINC000119318819 655298752 /nfs/dbraw/zinc/29/87/52/655298752.db2.gz BXIPNMAAZADYEK-UHFFFAOYSA-N -1 1 385.442 2.743 20 5 GFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000759168091 655949904 /nfs/dbraw/zinc/94/99/04/655949904.db2.gz LEONKULJPFWEJN-UHFFFAOYSA-N -1 1 396.734 2.967 20 5 GFBDMM O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000760731140 655990638 /nfs/dbraw/zinc/99/06/38/655990638.db2.gz LUOUVMDHNYVMOP-ZDUSSCGKSA-N -1 1 386.191 2.856 20 5 GFBDMM CCCc1cc(=O)[n-]c(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000783913072 657273193 /nfs/dbraw/zinc/27/31/93/657273193.db2.gz OCFDOPQKNFWCHQ-UHFFFAOYSA-N -1 1 383.451 2.609 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)Cc1ccccc1 ZINC000799831502 659234181 /nfs/dbraw/zinc/23/41/81/659234181.db2.gz ICRUTLQJLLYWFP-CQSZACIVSA-N -1 1 384.841 2.520 20 5 GFBDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800929297 659351480 /nfs/dbraw/zinc/35/14/80/659351480.db2.gz COFUOFYMNJNUCR-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000809818516 659942046 /nfs/dbraw/zinc/94/20/46/659942046.db2.gz FEKGVSFRDGXYQQ-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)cc1Cl ZINC000809820490 659942602 /nfs/dbraw/zinc/94/26/02/659942602.db2.gz ZIIIBZRTRUKVCC-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC(C)C ZINC000809821932 659943210 /nfs/dbraw/zinc/94/32/10/659943210.db2.gz VPQKFYUGVIWFDR-SECBINFHSA-N -1 1 396.824 2.501 20 5 GFBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809824970 659944308 /nfs/dbraw/zinc/94/43/08/659944308.db2.gz JSSRWZUVVMXMCY-SNVBAGLBSA-N -1 1 397.236 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000809828057 659945284 /nfs/dbraw/zinc/94/52/84/659945284.db2.gz HFABGMHMUWJVPE-GFWSLJDESA-N -1 1 390.820 2.623 20 5 GFBDMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828482 659945365 /nfs/dbraw/zinc/94/53/65/659945365.db2.gz NESIPHKULIWIKV-MRVPVSSYSA-N -1 1 399.252 2.769 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)cc1Cl ZINC000809831838 659946726 /nfs/dbraw/zinc/94/67/26/659946726.db2.gz COZTUBYKOWOEQP-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)cc1Cl ZINC000809840597 659947864 /nfs/dbraw/zinc/94/78/64/659947864.db2.gz XIQDORRONXJEFO-SECBINFHSA-N -1 1 386.788 2.539 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cnn3ccccc23)cc1Cl ZINC000809844398 659948353 /nfs/dbraw/zinc/94/83/53/659948353.db2.gz UHCOUFDXEWVQDN-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000814983035 660099836 /nfs/dbraw/zinc/09/98/36/660099836.db2.gz ZYKVANIIEDYFKR-UHFFFAOYSA-N -1 1 394.808 2.542 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])ccc1O ZINC000815016452 660101620 /nfs/dbraw/zinc/10/16/20/660101620.db2.gz HSMHKDKEOYGDEW-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000815020031 660102524 /nfs/dbraw/zinc/10/25/24/660102524.db2.gz QLJQNOZZXJQTMR-ZDUSSCGKSA-N -1 1 394.833 2.635 20 5 GFBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000815032498 660104668 /nfs/dbraw/zinc/10/46/68/660104668.db2.gz HQCPYWQLHQMPRF-UONOGXRCSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000845997585 661520456 /nfs/dbraw/zinc/52/04/56/661520456.db2.gz DJMKPTFDSVLUOU-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000849452307 661728013 /nfs/dbraw/zinc/72/80/13/661728013.db2.gz QKRIBSQSIGHTHQ-UHFFFAOYSA-N -1 1 395.275 2.841 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c(Cl)cc1Cl ZINC000849468672 661731923 /nfs/dbraw/zinc/73/19/23/661731923.db2.gz AWZQNKQVCMNWEX-VIFPVBQESA-N -1 1 383.253 2.589 20 5 GFBDMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000851852899 661839070 /nfs/dbraw/zinc/83/90/70/661839070.db2.gz DBZFRUSQVALAEX-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1Cl ZINC000859367323 662156763 /nfs/dbraw/zinc/15/67/63/662156763.db2.gz CHMWHBUHGBKSCY-GZMMTYOYSA-N -1 1 381.237 2.747 20 5 GFBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccs1 ZINC000056011533 551175993 /nfs/dbraw/zinc/17/59/93/551175993.db2.gz BNXXNNOGUAUQCT-NSHDSACASA-N -1 1 384.435 2.547 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167281696 551632908 /nfs/dbraw/zinc/63/29/08/551632908.db2.gz ASIMZUXKMHNEDQ-KMUNFCNLSA-N -1 1 386.857 2.874 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000173831241 552093201 /nfs/dbraw/zinc/09/32/01/552093201.db2.gz QJBPXMOGNNJMDS-LBPRGKRZSA-N -1 1 395.275 2.697 20 5 GFBDMM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175133824 552116238 /nfs/dbraw/zinc/11/62/38/552116238.db2.gz SUQUPYUMNVVBSW-SMDDNHRTSA-N -1 1 376.862 2.978 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183374189 552307111 /nfs/dbraw/zinc/30/71/11/552307111.db2.gz WEOZXJVCOMSWMU-LLVKDONJSA-N -1 1 387.870 2.867 20 5 GFBDMM CC[C@](C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547892014 564516686 /nfs/dbraw/zinc/51/66/86/564516686.db2.gz SWBPVKFVILIMBS-GFCCVEGCSA-N -1 1 385.225 2.681 20 5 GFBDMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000393051955 563527966 /nfs/dbraw/zinc/52/79/66/563527966.db2.gz GOZTZABLRNBIEU-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM C[C@@H]([C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000569506328 564466903 /nfs/dbraw/zinc/46/69/03/564466903.db2.gz JZBUOQOPGBEUAS-KSBSHMNSSA-N -1 1 397.236 2.679 20 5 GFBDMM O=C([O-])CCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547789636 564510535 /nfs/dbraw/zinc/51/05/35/564510535.db2.gz QVXBFIKNPOMOLE-UHFFFAOYSA-N -1 1 385.225 2.825 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481463668 564512274 /nfs/dbraw/zinc/51/22/74/564512274.db2.gz HZDXDVAADAKTOP-VIFPVBQESA-N -1 1 397.261 2.975 20 5 GFBDMM COC(=O)CCc1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000486205552 564643595 /nfs/dbraw/zinc/64/35/95/564643595.db2.gz SGUOXYYBOIUZJS-UHFFFAOYSA-N -1 1 382.423 2.526 20 5 GFBDMM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000525184352 564695200 /nfs/dbraw/zinc/69/52/00/564695200.db2.gz ZLAJAGGLGQSJKA-JTQLQIEISA-N -1 1 386.451 2.583 20 5 GFBDMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462404236 564836866 /nfs/dbraw/zinc/83/68/66/564836866.db2.gz VHDZQOKIYVCVLT-VIFPVBQESA-N -1 1 386.861 2.508 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000588143781 565129098 /nfs/dbraw/zinc/12/90/98/565129098.db2.gz HFJDMTIJHDFYGE-VIFPVBQESA-N -1 1 395.300 2.779 20 5 GFBDMM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383031 565471773 /nfs/dbraw/zinc/47/17/73/565471773.db2.gz YAYWQKYTLOSXAZ-IAQYHMDHSA-N -1 1 384.841 2.691 20 5 GFBDMM CC(C)(C)OC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000595418464 565476862 /nfs/dbraw/zinc/47/68/62/565476862.db2.gz RBYKAWUZICLORV-LLVKDONJSA-N -1 1 390.483 2.693 20 5 GFBDMM Cc1[n-][nH]c(=NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1Br ZINC000597731916 565572863 /nfs/dbraw/zinc/57/28/63/565572863.db2.gz RNMXYVYDOISZBK-UHFFFAOYSA-N -1 1 380.202 2.637 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000609134331 566031342 /nfs/dbraw/zinc/03/13/42/566031342.db2.gz WXXHSHUDPZXZSK-NSHDSACASA-N -1 1 397.250 2.976 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612172594 566153292 /nfs/dbraw/zinc/15/32/92/566153292.db2.gz AJZVWCCQYFOGER-SNVBAGLBSA-N -1 1 390.751 2.938 20 5 GFBDMM O=[N+]([O-])c1cnc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c(-c2nn[n-]n2)c1 ZINC000823651219 599298455 /nfs/dbraw/zinc/29/84/55/599298455.db2.gz INFPYUVJCANPJM-UHFFFAOYSA-N -1 1 384.356 2.850 20 5 GFBDMM CCC[C@@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000829203138 600703173 /nfs/dbraw/zinc/70/31/73/600703173.db2.gz UXGJFXILPQFPDG-GFCCVEGCSA-N -1 1 385.225 2.823 20 5 GFBDMM COc1cc(CN2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739861717 602534003 /nfs/dbraw/zinc/53/40/03/602534003.db2.gz ZUPWESJHWUABRF-JTQLQIEISA-N -1 1 389.355 2.637 20 5 GFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739062515 602536661 /nfs/dbraw/zinc/53/66/61/602536661.db2.gz GTOOZPXMUHRUFV-NEPJUHHUSA-N -1 1 375.385 2.638 20 5 GFBDMM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237949124 604371809 /nfs/dbraw/zinc/37/18/09/604371809.db2.gz FOKIOQIXOJCXQZ-UHFFFAOYSA-N -1 1 382.376 2.978 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000827097437 604896176 /nfs/dbraw/zinc/89/61/76/604896176.db2.gz OISSCDVAEUFSKM-UHFFFAOYSA-N -1 1 396.350 2.837 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000834187100 605448336 /nfs/dbraw/zinc/44/83/36/605448336.db2.gz YHDWAHDKHICUEU-BPLDGKMQSA-N -1 1 387.396 2.513 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2ccnc(OCC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000823634158 606645154 /nfs/dbraw/zinc/64/51/54/606645154.db2.gz BGYXWZFTXBZVQI-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000823635514 606645478 /nfs/dbraw/zinc/64/54/78/606645478.db2.gz ZNDOXWSAWNALJX-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM CN(Cc1cccc(C(F)(F)F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613384 606699422 /nfs/dbraw/zinc/69/94/22/606699422.db2.gz LHPJEYRLONASBH-UHFFFAOYSA-N -1 1 379.302 2.825 20 5 GFBDMM CN(Cc1cccc(C(F)(F)F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821613384 606699424 /nfs/dbraw/zinc/69/94/24/606699424.db2.gz LHPJEYRLONASBH-UHFFFAOYSA-N -1 1 379.302 2.825 20 5 GFBDMM CN(Cc1cccc(Br)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613172 606701295 /nfs/dbraw/zinc/70/12/95/606701295.db2.gz ALOLMWYDXFFRDE-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM CN(Cc1cccc(Br)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821613172 606701296 /nfs/dbraw/zinc/70/12/96/606701296.db2.gz ALOLMWYDXFFRDE-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000820462626 606709555 /nfs/dbraw/zinc/70/95/55/606709555.db2.gz ZBOZPKWCSSGYOX-SSDOTTSWSA-N -1 1 385.775 2.873 20 5 GFBDMM CCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821134270 607167204 /nfs/dbraw/zinc/16/72/04/607167204.db2.gz RGXGBSYAQGENKV-UHFFFAOYSA-N -1 1 385.384 2.579 20 5 GFBDMM CCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821134270 607167207 /nfs/dbraw/zinc/16/72/07/607167207.db2.gz RGXGBSYAQGENKV-UHFFFAOYSA-N -1 1 385.384 2.579 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292678 607866971 /nfs/dbraw/zinc/86/69/71/607866971.db2.gz GXXIJJSOQIPTNM-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292678 607866972 /nfs/dbraw/zinc/86/69/72/607866972.db2.gz GXXIJJSOQIPTNM-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829812402 660615705 /nfs/dbraw/zinc/61/57/05/660615705.db2.gz XDGYLNFEKDXPGC-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c21 ZINC000129952496 654878885 /nfs/dbraw/zinc/87/88/85/654878885.db2.gz ZFTHUELPFIXTIK-UHFFFAOYSA-N -1 1 380.813 2.911 20 5 GFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272536593 655115868 /nfs/dbraw/zinc/11/58/68/655115868.db2.gz UQFANPDNPQYPDW-UHFFFAOYSA-N -1 1 382.829 2.747 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1[N+](=O)[O-] ZINC000116712279 655252299 /nfs/dbraw/zinc/25/22/99/655252299.db2.gz MBEXZVTXQYAABG-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000119320568 655298746 /nfs/dbraw/zinc/29/87/46/655298746.db2.gz CRSSJFKUFWQXMK-RFAUZJTJSA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257176 655379912 /nfs/dbraw/zinc/37/99/12/655379912.db2.gz YGHCLKDISROTFR-APPZFPTMSA-N -1 1 381.273 2.530 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749162115 655801240 /nfs/dbraw/zinc/80/12/40/655801240.db2.gz HJHNHASOTLRSDU-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000751250966 655823938 /nfs/dbraw/zinc/82/39/38/655823938.db2.gz IYBSPZAQGLCMOW-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1c(F)cccc1F ZINC000751466565 655828655 /nfs/dbraw/zinc/82/86/55/655828655.db2.gz NBSCSNQUFZETAO-HZMBPMFUSA-N -1 1 392.405 2.725 20 5 GFBDMM O=C([O-])c1c(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000776562489 656758282 /nfs/dbraw/zinc/75/82/82/656758282.db2.gz XLFVCFUEBFXAJP-UHFFFAOYSA-N -1 1 392.176 2.796 20 5 GFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000790341858 657955217 /nfs/dbraw/zinc/95/52/17/657955217.db2.gz QSEYWUATOWENFW-UHFFFAOYSA-N -1 1 377.300 2.718 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccoc1 ZINC000795805446 658853143 /nfs/dbraw/zinc/85/31/43/658853143.db2.gz MUOGEOTXVIWJND-UHFFFAOYSA-N -1 1 379.163 2.568 20 5 GFBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000795847965 658858426 /nfs/dbraw/zinc/85/84/26/658858426.db2.gz HFLLGAXANKDEKL-VIFPVBQESA-N -1 1 388.804 2.919 20 5 GFBDMM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796101654 658891773 /nfs/dbraw/zinc/89/17/73/658891773.db2.gz DIDIMGDXVTXQIF-MEDUHNTESA-N -1 1 384.841 2.957 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000805121552 659744529 /nfs/dbraw/zinc/74/45/29/659744529.db2.gz QXEJSMOVNHNKRS-JTQLQIEISA-N -1 1 396.368 2.687 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCOCC2CC2)c1Cl ZINC000809388625 659925574 /nfs/dbraw/zinc/92/55/74/659925574.db2.gz APEYKTZZOWHXPK-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000809815426 659941372 /nfs/dbraw/zinc/94/13/72/659941372.db2.gz HNUAUZKGNISBQI-SSDOTTSWSA-N -1 1 399.252 2.910 20 5 GFBDMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820362 659942580 /nfs/dbraw/zinc/94/25/80/659942580.db2.gz WCTKXNACLNAIMW-CQSZACIVSA-N -1 1 382.841 2.853 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000809828059 659945342 /nfs/dbraw/zinc/94/53/42/659945342.db2.gz HFABGMHMUWJVPE-PCTYZZJISA-N -1 1 390.820 2.623 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nccs1 ZINC000809831403 659946291 /nfs/dbraw/zinc/94/62/91/659946291.db2.gz UPGIWCSTASKEMS-SSDOTTSWSA-N -1 1 379.822 2.926 20 5 GFBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809832269 659946718 /nfs/dbraw/zinc/94/67/18/659946718.db2.gz ORFQMFZQMOFMBP-ZJUUUORDSA-N -1 1 380.825 2.871 20 5 GFBDMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845704 659948726 /nfs/dbraw/zinc/94/87/26/659948726.db2.gz SSMCHJMLIVYUIV-DTWKUNHWSA-N -1 1 383.253 2.853 20 5 GFBDMM CO[C@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000812516971 660028973 /nfs/dbraw/zinc/02/89/73/660028973.db2.gz ZXOIGDPIRBXYEJ-CYBMUJFWSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000814989244 660100315 /nfs/dbraw/zinc/10/03/15/660100315.db2.gz HTNAOCAFORHYDT-SNVBAGLBSA-N -1 1 386.788 2.669 20 5 GFBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044190 660106495 /nfs/dbraw/zinc/10/64/95/660106495.db2.gz XTGYAULTVGGRKB-SECBINFHSA-N -1 1 396.824 2.786 20 5 GFBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000841548405 661296277 /nfs/dbraw/zinc/29/62/77/661296277.db2.gz ITMVITVGSSMDGP-OLZOCXBDSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c1Cl ZINC000849448523 661727248 /nfs/dbraw/zinc/72/72/48/661727248.db2.gz DJVGOSUGVBDWQZ-MRVPVSSYSA-N -1 1 381.237 2.892 20 5 GFBDMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000851852889 661839085 /nfs/dbraw/zinc/83/90/85/661839085.db2.gz CXJCJFFJFYUDKL-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(Cl)cc1Cl ZINC000859253181 662147881 /nfs/dbraw/zinc/14/78/81/662147881.db2.gz RNNXYXKMTTVFFB-VIFPVBQESA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c(Cl)cc1Cl ZINC000859367387 662156867 /nfs/dbraw/zinc/15/68/67/662156867.db2.gz FIFVLLVNEWANPN-PRHODGIISA-N -1 1 381.237 2.747 20 5 GFBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000874927182 662839716 /nfs/dbraw/zinc/83/97/16/662839716.db2.gz DGHJMDCTECPMHU-KMKOMSMNSA-N -1 1 378.284 2.868 20 5 GFBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)CO1 ZINC000907732241 664056696 /nfs/dbraw/zinc/05/66/96/664056696.db2.gz PDOYLIRYTYUMEG-JUXJKVCFSA-N -1 1 378.809 2.623 20 5 GFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000156349239 551520657 /nfs/dbraw/zinc/52/06/57/551520657.db2.gz SVNSYCSWFAMMPI-SNVBAGLBSA-N -1 1 393.259 2.593 20 5 GFBDMM CN(CCc1ccc(Br)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193559104 552996860 /nfs/dbraw/zinc/99/68/60/552996860.db2.gz FOXCPDPROJHLFF-UHFFFAOYSA-N -1 1 380.198 2.773 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H](CO)c2ccccc21 ZINC000372726209 563315220 /nfs/dbraw/zinc/31/52/20/563315220.db2.gz MMGGZJIBRZFOII-QMTHXVAHSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000424209805 563373791 /nfs/dbraw/zinc/37/37/91/563373791.db2.gz AYAWJAGZVIEJDI-LURJTMIESA-N -1 1 391.165 2.895 20 5 GFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000392590951 563526957 /nfs/dbraw/zinc/52/69/57/563526957.db2.gz KHRCJZSIDKUTBM-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290653341 563716803 /nfs/dbraw/zinc/71/68/03/563716803.db2.gz FDHRMFBWWNCBPR-ZETCQYMHSA-N -1 1 391.808 2.902 20 5 GFBDMM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290750314 563719603 /nfs/dbraw/zinc/71/96/03/563719603.db2.gz MRRUAKRFPJEHCJ-UHFFFAOYSA-N -1 1 393.252 2.730 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000416379731 563820415 /nfs/dbraw/zinc/82/04/15/563820415.db2.gz ZVTXYJWANVBUPV-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540069754 564239248 /nfs/dbraw/zinc/23/92/48/564239248.db2.gz IYVNRUXALYYFDY-BMIGLBTASA-N -1 1 386.451 2.719 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000473859249 564255493 /nfs/dbraw/zinc/25/54/93/564255493.db2.gz OCKOLEHQOCZAHT-TVQRCGJNSA-N -1 1 396.172 2.883 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000474428350 564278160 /nfs/dbraw/zinc/27/81/60/564278160.db2.gz SRKWFKIECUCKRD-UHFFFAOYSA-N -1 1 386.817 2.666 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000478499221 564405143 /nfs/dbraw/zinc/40/51/43/564405143.db2.gz DLQIHBWCJDSTFO-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM CC(C)C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000479616710 564445608 /nfs/dbraw/zinc/44/56/08/564445608.db2.gz KBBKDDYZCFNYON-QMMMGPOBSA-N -1 1 399.252 2.927 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000525307849 564697938 /nfs/dbraw/zinc/69/79/38/564697938.db2.gz ICDCTQWVKPPDRB-UHFFFAOYSA-N -1 1 393.755 2.723 20 5 GFBDMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534243871 564983457 /nfs/dbraw/zinc/98/34/57/564983457.db2.gz JJCWWUGFNSFGET-LURJTMIESA-N -1 1 394.240 2.622 20 5 GFBDMM CC(C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000614352536 565109648 /nfs/dbraw/zinc/10/96/48/565109648.db2.gz KTQKLVZTUMAOPG-UHFFFAOYSA-N -1 1 385.225 2.681 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000588143780 565128649 /nfs/dbraw/zinc/12/86/49/565128649.db2.gz HFJDMTIJHDFYGE-SECBINFHSA-N -1 1 395.300 2.779 20 5 GFBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592109371 565257479 /nfs/dbraw/zinc/25/74/79/565257479.db2.gz AJGSQCMILVSDGH-VXNVDRBHSA-N -1 1 381.273 2.530 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000610263013 566074100 /nfs/dbraw/zinc/07/41/00/566074100.db2.gz BPARTKJOVBZVPJ-CYBMUJFWSA-N -1 1 376.419 2.514 20 5 GFBDMM O=C(Nc1cc(I)ccc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000610776889 566098381 /nfs/dbraw/zinc/09/83/81/566098381.db2.gz CBXBYPGZMSVESC-UHFFFAOYSA-N -1 1 385.117 2.552 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(Cl)c1 ZINC000737362501 599040443 /nfs/dbraw/zinc/04/04/43/599040443.db2.gz RHKOYXINQXZKST-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=C(Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000823357281 599133987 /nfs/dbraw/zinc/13/39/87/599133987.db2.gz SYDHQWIQCJOLLJ-UHFFFAOYSA-N -1 1 393.319 2.808 20 5 GFBDMM O=C(Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000823357281 599133990 /nfs/dbraw/zinc/13/39/90/599133990.db2.gz SYDHQWIQCJOLLJ-UHFFFAOYSA-N -1 1 393.319 2.808 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1-c1nnn[n-]1 ZINC000826498696 607452241 /nfs/dbraw/zinc/45/22/41/607452241.db2.gz FRZCVYRRMKJVGO-INIZCTEOSA-N -1 1 388.334 2.631 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1-c1nn[n-]n1 ZINC000826498696 607452243 /nfs/dbraw/zinc/45/22/43/607452243.db2.gz FRZCVYRRMKJVGO-INIZCTEOSA-N -1 1 388.334 2.631 20 5 GFBDMM O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CCOCC2)cc1-c1nnn[n-]1 ZINC000826498786 607452307 /nfs/dbraw/zinc/45/23/07/607452307.db2.gz JOVWBOPTAPKWDO-UHFFFAOYSA-N -1 1 380.408 2.935 20 5 GFBDMM O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CCOCC2)cc1-c1nn[n-]n1 ZINC000826498786 607452309 /nfs/dbraw/zinc/45/23/09/607452309.db2.gz JOVWBOPTAPKWDO-UHFFFAOYSA-N -1 1 380.408 2.935 20 5 GFBDMM COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000832124213 600889738 /nfs/dbraw/zinc/88/97/38/600889738.db2.gz IWNZISSYBSDWGZ-UHFFFAOYSA-N -1 1 382.332 2.944 20 5 GFBDMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000826946521 601008954 /nfs/dbraw/zinc/00/89/54/601008954.db2.gz AEWFIGGSJCKWCQ-UHFFFAOYSA-N -1 1 392.437 2.842 20 5 GFBDMM COc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000832116362 604281109 /nfs/dbraw/zinc/28/11/09/604281109.db2.gz RYEWAZSBZYBOJO-UHFFFAOYSA-N -1 1 382.332 2.944 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097431 604930580 /nfs/dbraw/zinc/93/05/80/604930580.db2.gz OGVRVYCXRYQXPZ-OLZOCXBDSA-N -1 1 378.429 2.937 20 5 GFBDMM COc1cccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)c1 ZINC000821873168 606645556 /nfs/dbraw/zinc/64/55/56/606645556.db2.gz SGDWAZACROJNLL-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000820461467 607168647 /nfs/dbraw/zinc/16/86/47/607168647.db2.gz KOVGEWJLVFIWDJ-MRVPVSSYSA-N -1 1 377.311 2.944 20 5 GFBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000820461467 607168648 /nfs/dbraw/zinc/16/86/48/607168648.db2.gz KOVGEWJLVFIWDJ-MRVPVSSYSA-N -1 1 377.311 2.944 20 5 GFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1Br ZINC000818271210 660221892 /nfs/dbraw/zinc/22/18/92/660221892.db2.gz ARLQTUSQXPGRJC-UHFFFAOYSA-N -1 1 379.232 2.526 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)c1Cl ZINC000830093485 660634119 /nfs/dbraw/zinc/63/41/19/660634119.db2.gz WBBXNRFIEDOATG-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633564 660668090 /nfs/dbraw/zinc/66/80/90/660668090.db2.gz SHKZTKMXCMEJSI-OQPBUACISA-N -1 1 385.269 2.977 20 5 GFBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033469 660691883 /nfs/dbraw/zinc/69/18/83/660691883.db2.gz VXCIQVKWLUAOQM-KCJUWKMLSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637122 660716402 /nfs/dbraw/zinc/71/64/02/660716402.db2.gz GDKCQOXOFMYAOH-ISVAXAHUSA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(F)F ZINC000831896743 660734356 /nfs/dbraw/zinc/73/43/56/660734356.db2.gz WVWJYXNFBCECHS-OIBJUYFYSA-N -1 1 393.195 2.585 20 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ZINC000510376236 655417606 /nfs/dbraw/zinc/41/76/06/655417606.db2.gz SZKBWKDYSSKONC-GFCCVEGCSA-N -1 1 382.825 2.920 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000574878772 655432698 /nfs/dbraw/zinc/43/26/98/655432698.db2.gz ZOTYWOOTYVBQLO-UHFFFAOYSA-N -1 1 389.231 2.508 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751437964 655827319 /nfs/dbraw/zinc/82/73/19/655827319.db2.gz TZIBRQVRJKBYKR-SNVBAGLBSA-N -1 1 376.843 2.712 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762524565 656045954 /nfs/dbraw/zinc/04/59/54/656045954.db2.gz HYLVFDLUGABQAK-USWWRNFRSA-N -1 1 394.927 2.906 20 5 GFBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000841527913 661291406 /nfs/dbraw/zinc/29/14/06/661291406.db2.gz LSGCXTGHXZUJOH-VIFPVBQESA-N -1 1 380.825 2.871 20 5 GFBDMM O=C([N-]N1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780714480 657024951 /nfs/dbraw/zinc/02/49/51/657024951.db2.gz XKZHSFMPXKDDMY-UHFFFAOYSA-N -1 1 390.193 2.701 20 5 GFBDMM CO[C@@H](CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000786874660 657478612 /nfs/dbraw/zinc/47/86/12/657478612.db2.gz ZMKRPXIWCNXQCW-JTQLQIEISA-N -1 1 390.767 2.802 20 5 GFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795331913 658806712 /nfs/dbraw/zinc/80/67/12/658806712.db2.gz UMSGBJTVDZBVCV-UHFFFAOYSA-N -1 1 396.734 2.967 20 5 GFBDMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1 ZINC000795877066 658865483 /nfs/dbraw/zinc/86/54/83/658865483.db2.gz WKEKRXOZSVDFEE-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795894748 658869204 /nfs/dbraw/zinc/86/92/04/658869204.db2.gz CSINDFDHHCKGRR-LURJTMIESA-N -1 1 387.252 2.526 20 5 GFBDMM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227432 659086764 /nfs/dbraw/zinc/08/67/64/659086764.db2.gz RGHFBLLTSIRZAK-UHFFFAOYSA-N -1 1 390.824 2.718 20 5 GFBDMM CC1(O)CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809822825 659943788 /nfs/dbraw/zinc/94/37/88/659943788.db2.gz DFHMJVYHUOVRJL-UHFFFAOYSA-N -1 1 383.253 2.874 20 5 GFBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000809830462 659946014 /nfs/dbraw/zinc/94/60/14/659946014.db2.gz YCJYVNLFPMQNRO-IUCAKERBSA-N -1 1 383.253 2.995 20 5 GFBDMM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813247152 660049770 /nfs/dbraw/zinc/04/97/70/660049770.db2.gz XMZKGFKQFIWOPH-UHFFFAOYSA-N -1 1 389.842 2.812 20 5 GFBDMM Cc1ccoc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000813744399 660062841 /nfs/dbraw/zinc/06/28/41/660062841.db2.gz JWSYIQVAVJLEQR-UHFFFAOYSA-N -1 1 375.200 2.737 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000815019551 660102270 /nfs/dbraw/zinc/10/22/70/660102270.db2.gz QDZPMVFLLMERKG-AWEZNQCLSA-N -1 1 388.804 2.789 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000815034108 660104749 /nfs/dbraw/zinc/10/47/49/660104749.db2.gz DIKNLKKCOFWOGG-NOZJJQNGSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000815075365 660109644 /nfs/dbraw/zinc/10/96/44/660109644.db2.gz XUWPBKFQYNUNGE-NSHDSACASA-N -1 1 394.852 2.854 20 5 GFBDMM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815095216 660111769 /nfs/dbraw/zinc/11/17/69/660111769.db2.gz TWHMKHCRWNZIEB-SDBXPKJASA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(OC)OC ZINC000849406214 661717035 /nfs/dbraw/zinc/71/70/35/661717035.db2.gz YKHJFSFINUTFRJ-VIFPVBQESA-N -1 1 387.241 2.577 20 5 GFBDMM CCc1nc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000849921035 661752099 /nfs/dbraw/zinc/75/20/99/661752099.db2.gz DYUNUNZSOZLACK-UHFFFAOYSA-N -1 1 383.451 2.527 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000921585902 664555979 /nfs/dbraw/zinc/55/59/79/664555979.db2.gz HZLIFDXNPOXUBR-KCJUWKMLSA-N -1 1 386.323 2.512 20 5 GFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1[O-] ZINC000045621443 551147273 /nfs/dbraw/zinc/14/72/73/551147273.db2.gz ALUOQMCRFPEQIN-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000161992548 551601675 /nfs/dbraw/zinc/60/16/75/551601675.db2.gz HQCOQNAJEWXJPL-CYBMUJFWSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@@H](Cc1ccccc1Br)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185843904 552372275 /nfs/dbraw/zinc/37/22/75/552372275.db2.gz NBWMBCLVWNPDPN-VIFPVBQESA-N -1 1 380.198 2.819 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000186177315 552381202 /nfs/dbraw/zinc/38/12/02/552381202.db2.gz XUWZSDOKALZXTL-UHFFFAOYSA-N -1 1 376.419 2.592 20 5 GFBDMM CN(Cc1cc(Br)ccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187053224 552405259 /nfs/dbraw/zinc/40/52/59/552405259.db2.gz MSXSPAGFDPKZSJ-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000188389191 552444135 /nfs/dbraw/zinc/44/41/35/552444135.db2.gz FNWBTAIAPGZCTM-LLVKDONJSA-N -1 1 395.275 2.697 20 5 GFBDMM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000190549972 552500747 /nfs/dbraw/zinc/50/07/47/552500747.db2.gz IIPKMPVIWNRMFL-MLGOLLRUSA-N -1 1 384.479 2.564 20 5 GFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000282534107 563414648 /nfs/dbraw/zinc/41/46/48/563414648.db2.gz CTRMABOJCGXLIM-UHFFFAOYSA-N -1 1 382.295 2.602 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1Br ZINC000412170195 563649233 /nfs/dbraw/zinc/64/92/33/563649233.db2.gz YUNCTFFPXBCSNZ-WDEREUQCSA-N -1 1 379.214 2.807 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c(Cl)cc1Cl ZINC000289261899 563672967 /nfs/dbraw/zinc/67/29/67/563672967.db2.gz AHOKJAVUWUQUNL-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)no1 ZINC000289649438 563682265 /nfs/dbraw/zinc/68/22/65/563682265.db2.gz ZZYUSVZISOKMTN-UHFFFAOYSA-N -1 1 395.224 2.807 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438449250 563705943 /nfs/dbraw/zinc/70/59/43/563705943.db2.gz BTOCVNPEWQXYET-GXFFZTMASA-N -1 1 378.182 2.744 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)s1 ZINC000509335658 564293482 /nfs/dbraw/zinc/29/34/82/564293482.db2.gz GHIPSQYNHRYQIU-UHFFFAOYSA-N -1 1 383.270 2.959 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000542719021 564323072 /nfs/dbraw/zinc/32/30/72/564323072.db2.gz XGXSIBJWOQVUTG-ZETCQYMHSA-N -1 1 385.193 2.946 20 5 GFBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1F ZINC000567008689 564353298 /nfs/dbraw/zinc/35/32/98/564353298.db2.gz UFEPMXFOPZQOSX-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457329141 564656823 /nfs/dbraw/zinc/65/68/23/564656823.db2.gz NTSZXBZXDXOPAN-LBPRGKRZSA-N -1 1 393.197 2.830 20 5 GFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(I)c1 ZINC000487635465 564692744 /nfs/dbraw/zinc/69/27/44/564692744.db2.gz OKDFMKLDURTPEB-UHFFFAOYSA-N -1 1 387.133 2.788 20 5 GFBDMM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000490537683 564776285 /nfs/dbraw/zinc/77/62/85/564776285.db2.gz VDOVBRKROSPNCZ-UHFFFAOYSA-N -1 1 395.275 2.841 20 5 GFBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464360752 564904805 /nfs/dbraw/zinc/90/48/05/564904805.db2.gz GEXBHZNCCQTUDB-ZCFIWIBFSA-N -1 1 391.165 2.977 20 5 GFBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000563136646 565057032 /nfs/dbraw/zinc/05/70/32/565057032.db2.gz ZUKGMIAZZVQREQ-XMMPIXPASA-N -1 1 382.463 2.837 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000599204009 565661277 /nfs/dbraw/zinc/66/12/77/565661277.db2.gz JEASLOIXKAGQFA-ZETCQYMHSA-N -1 1 379.225 2.675 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000610259456 566072907 /nfs/dbraw/zinc/07/29/07/566072907.db2.gz JLAAOPYTYOMSSM-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000610759102 566097490 /nfs/dbraw/zinc/09/74/90/566097490.db2.gz JOBGUEQYDCXMFC-UHFFFAOYSA-N -1 1 385.829 2.563 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000610785449 566099399 /nfs/dbraw/zinc/09/93/99/566099399.db2.gz UPYLQRWXOSNQNQ-QMMMGPOBSA-N -1 1 385.186 2.823 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737265534 599456621 /nfs/dbraw/zinc/45/66/21/599456621.db2.gz WLDMLUROOZHQEU-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM COc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000573734312 600292090 /nfs/dbraw/zinc/29/20/90/600292090.db2.gz WCGVGBRQHSZDIU-NSHDSACASA-N -1 1 386.351 2.892 20 5 GFBDMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598661588 601091687 /nfs/dbraw/zinc/09/16/87/601091687.db2.gz JDEYSXJZGQNGOI-MLGOLLRUSA-N -1 1 386.408 2.967 20 5 GFBDMM CCN1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)cn2)CC1 ZINC000576707003 602313591 /nfs/dbraw/zinc/31/35/91/602313591.db2.gz HYNZBSXAZGTKFL-UHFFFAOYSA-N -1 1 399.451 2.750 20 5 GFBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000833419968 604864260 /nfs/dbraw/zinc/86/42/60/604864260.db2.gz LLGGZNISWPCZLI-AWEZNQCLSA-N -1 1 390.440 2.617 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nn[n-]n1 ZINC000823634141 606644372 /nfs/dbraw/zinc/64/43/72/606644372.db2.gz AYOXTCYBJDWCIT-UHFFFAOYSA-N -1 1 385.815 2.755 20 5 GFBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000822240211 606788204 /nfs/dbraw/zinc/78/82/04/606788204.db2.gz XBRYQXHJBGFUKS-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OC(F)(F)F ZINC000823624578 607165338 /nfs/dbraw/zinc/16/53/38/607165338.db2.gz DFKRGZOTJFPDCY-UHFFFAOYSA-N -1 1 381.274 2.681 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1OC(F)(F)F ZINC000823624578 607165339 /nfs/dbraw/zinc/16/53/39/607165339.db2.gz DFKRGZOTJFPDCY-UHFFFAOYSA-N -1 1 381.274 2.681 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Cl)cc1Cl ZINC000831998241 660744089 /nfs/dbraw/zinc/74/40/89/660744089.db2.gz RURMNIBBRVJGNX-UHFFFAOYSA-N -1 1 387.216 2.699 20 5 GFBDMM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC ZINC000832124505 660756287 /nfs/dbraw/zinc/75/62/87/660756287.db2.gz MQKRCOFBUYENFB-GFCCVEGCSA-N -1 1 399.238 2.590 20 5 GFBDMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1cccc([N+](=O)[O-])c1 ZINC000124550265 654778375 /nfs/dbraw/zinc/77/83/75/654778375.db2.gz ULWQDQNVKGQWBZ-UHFFFAOYSA-N -1 1 375.435 2.894 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)s1 ZINC000064243882 654864817 /nfs/dbraw/zinc/86/48/17/654864817.db2.gz MVDMCTOVMLGKEQ-UHFFFAOYSA-N -1 1 378.378 2.779 20 5 GFBDMM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000066938562 654922911 /nfs/dbraw/zinc/92/29/11/654922911.db2.gz OXMVOJDBFIBULG-UHFFFAOYSA-N -1 1 385.829 2.747 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000268492318 654974604 /nfs/dbraw/zinc/97/46/04/654974604.db2.gz OXVUZIMFFLJHIK-UHFFFAOYSA-N -1 1 387.215 2.759 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000170788015 655146111 /nfs/dbraw/zinc/14/61/11/655146111.db2.gz KNRPNNBCYVXEBB-UHFFFAOYSA-N -1 1 385.442 2.590 20 5 GFBDMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173477232 655173394 /nfs/dbraw/zinc/17/33/94/655173394.db2.gz QVENYYLCGPHJLN-SECBINFHSA-N -1 1 386.861 2.508 20 5 GFBDMM COc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1[N+](=O)[O-] ZINC000121388170 655349388 /nfs/dbraw/zinc/34/93/88/655349388.db2.gz NNGIHDKYBHGJER-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000596027585 655513829 /nfs/dbraw/zinc/51/38/29/655513829.db2.gz SAOZEYXISHIUQM-VIFPVBQESA-N -1 1 397.236 2.681 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000725823622 655526974 /nfs/dbraw/zinc/52/69/74/655526974.db2.gz ZHATXBOLIQABOG-CYBMUJFWSA-N -1 1 389.886 2.891 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1c(F)cccc1Cl ZINC000751474712 655829207 /nfs/dbraw/zinc/82/92/07/655829207.db2.gz KYSLTUHGAAHLFU-CPFSXVBKSA-N -1 1 394.833 2.849 20 5 GFBDMM O=C([N-]N1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1Br ZINC000760872119 655994002 /nfs/dbraw/zinc/99/40/02/655994002.db2.gz DHCFXLCYCNDWCU-UHFFFAOYSA-N -1 1 390.193 2.701 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cs1 ZINC000768860973 656257157 /nfs/dbraw/zinc/25/71/57/656257157.db2.gz CGBZGFMOKIUNIP-UHFFFAOYSA-N -1 1 378.435 2.965 20 5 GFBDMM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000774932176 656572440 /nfs/dbraw/zinc/57/24/40/656572440.db2.gz YKPPSBGZCJQUBM-HNNXBMFYSA-N -1 1 392.861 2.894 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000790405638 657970323 /nfs/dbraw/zinc/97/03/23/657970323.db2.gz YMJAXJHIGQCLCL-UHFFFAOYSA-N -1 1 388.199 2.567 20 5 GFBDMM COc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420362 658094398 /nfs/dbraw/zinc/09/43/98/658094398.db2.gz MKTHGXIOMIULCQ-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000794608169 658577516 /nfs/dbraw/zinc/57/75/16/658577516.db2.gz INPPCRBNQWUWLT-UHFFFAOYSA-N -1 1 378.334 2.522 20 5 GFBDMM CC(C)([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795859945 658861887 /nfs/dbraw/zinc/86/18/87/658861887.db2.gz BNWDNOVMVGILPC-UHFFFAOYSA-N -1 1 381.223 2.963 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)Cc1ccccc1 ZINC000799831501 659234107 /nfs/dbraw/zinc/23/41/07/659234107.db2.gz ICRUTLQJLLYWFP-AWEZNQCLSA-N -1 1 384.841 2.520 20 5 GFBDMM O=C(c1cncc([O-])c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803546138 659588141 /nfs/dbraw/zinc/58/81/41/659588141.db2.gz BNGOJURLIPZHCU-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809815928 659941343 /nfs/dbraw/zinc/94/13/43/659941343.db2.gz XFWZCCQBBJPMBK-UHFFFAOYSA-N -1 1 393.849 2.982 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c(Cl)cc1Cl ZINC000809821081 659942898 /nfs/dbraw/zinc/94/28/98/659942898.db2.gz HQQBMWSBSSZZKE-BDAKNGLRSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000814994518 660100543 /nfs/dbraw/zinc/10/05/43/660100543.db2.gz QKHZXVOQFPXYRK-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000815047299 660106966 /nfs/dbraw/zinc/10/69/66/660106966.db2.gz MSQFQWSRMGZZCH-UHFFFAOYSA-N -1 1 379.822 2.755 20 5 GFBDMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841555496 661299387 /nfs/dbraw/zinc/29/93/87/661299387.db2.gz HKWBTOBXEWCNSO-VIFPVBQESA-N -1 1 397.236 2.522 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1Cl ZINC000841574454 661305949 /nfs/dbraw/zinc/30/59/49/661305949.db2.gz TXBXKLKIMDEIIT-BDAKNGLRSA-N -1 1 383.253 2.731 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845975497 661514897 /nfs/dbraw/zinc/51/48/97/661514897.db2.gz BOIKDTJSGXDTGN-MEDUHNTESA-N -1 1 384.841 2.823 20 5 GFBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(Br)ccc2[N+](=O)[O-])[n-]1 ZINC000859282032 662149611 /nfs/dbraw/zinc/14/96/11/662149611.db2.gz UEGLQXNILIKJGU-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM CC(C)c1nc(S(=O)(=O)Oc2cc(Br)ccc2[N+](=O)[O-])c[n-]1 ZINC000859282032 662149613 /nfs/dbraw/zinc/14/96/13/662149613.db2.gz UEGLQXNILIKJGU-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000920936252 664534362 /nfs/dbraw/zinc/53/43/62/664534362.db2.gz GNNVBCJIQQNCRE-OIBJUYFYSA-N -1 1 388.751 2.636 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CCSCC1 ZINC000171424931 551655886 /nfs/dbraw/zinc/65/58/86/551655886.db2.gz CVSTYWIQCFNNDY-UHFFFAOYSA-N -1 1 381.273 2.531 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cccc(Br)c2C1 ZINC000193598882 552998260 /nfs/dbraw/zinc/99/82/60/552998260.db2.gz IKTIHKGOSZIXQB-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=C(NCCOCc1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193832782 553004451 /nfs/dbraw/zinc/00/44/51/553004451.db2.gz NAKMWCHESDDUNR-UHFFFAOYSA-N -1 1 386.191 2.949 20 5 GFBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416523978 563842760 /nfs/dbraw/zinc/84/27/60/563842760.db2.gz FGVYNDQQNRWJSP-PHIMTYICSA-N -1 1 393.259 2.592 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](CO)c2ccccc21 ZINC000372721741 563315331 /nfs/dbraw/zinc/31/53/31/563315331.db2.gz DRMWIPCJFBPHIM-HZMBPMFUSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC000374435248 563372424 /nfs/dbraw/zinc/37/24/24/563372424.db2.gz JAAYQINWKQVXJP-LLVKDONJSA-N -1 1 384.845 2.609 20 5 GFBDMM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000445738268 563853935 /nfs/dbraw/zinc/85/39/35/563853935.db2.gz GEVIWULEYRDQKD-HNNXBMFYSA-N -1 1 376.862 2.858 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])n1 ZINC000472756755 564233040 /nfs/dbraw/zinc/23/30/40/564233040.db2.gz WZCDOAIUYPGEHB-UHFFFAOYSA-N -1 1 390.824 2.817 20 5 GFBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl)OCCO2 ZINC000476739606 564352874 /nfs/dbraw/zinc/35/28/74/564352874.db2.gz OJHILRKVCAWBAP-UHFFFAOYSA-N -1 1 388.760 2.959 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480425479 564472843 /nfs/dbraw/zinc/47/28/43/564472843.db2.gz JKXWEWNQHTVNAK-UHFFFAOYSA-N -1 1 385.186 2.681 20 5 GFBDMM COCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000482753084 564549015 /nfs/dbraw/zinc/54/90/15/564549015.db2.gz UVNCMEJQNZLORY-UHFFFAOYSA-N -1 1 384.186 2.963 20 5 GFBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000486650345 564661417 /nfs/dbraw/zinc/66/14/17/564661417.db2.gz XZKNNSUPNJRJBT-IUCAKERBSA-N -1 1 387.849 2.919 20 5 GFBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487149020 564677713 /nfs/dbraw/zinc/67/77/13/564677713.db2.gz LFKGJRVRLLILRX-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000525699756 564705426 /nfs/dbraw/zinc/70/54/26/564705426.db2.gz HGGJOEQGODRJCV-UHFFFAOYSA-N -1 1 385.829 2.781 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000525689547 564705643 /nfs/dbraw/zinc/70/56/43/564705643.db2.gz HEXAOIQXRXQXLH-UHFFFAOYSA-N -1 1 375.328 2.530 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000488886916 564723503 /nfs/dbraw/zinc/72/35/03/564723503.db2.gz RKAQIDOHLNJGAV-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM CCC[C@H](CCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000584032403 564916764 /nfs/dbraw/zinc/91/67/64/564916764.db2.gz KBPGXAICDGTWKW-LLVKDONJSA-N -1 1 376.406 2.683 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270278 564959320 /nfs/dbraw/zinc/95/93/20/564959320.db2.gz ZUYVVCMAJFTBNC-CQSZACIVSA-N -1 1 384.845 2.894 20 5 GFBDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000534205558 564982132 /nfs/dbraw/zinc/98/21/32/564982132.db2.gz IOEKMVOELMMAEJ-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)s1 ZINC000561555143 565001981 /nfs/dbraw/zinc/00/19/81/565001981.db2.gz BOYNFNWFTHURLA-LLVKDONJSA-N -1 1 376.843 2.712 20 5 GFBDMM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000469341876 565014177 /nfs/dbraw/zinc/01/41/77/565014177.db2.gz OUHDUVJRKATGKX-UHFFFAOYSA-N -1 1 391.181 2.869 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000584522748 565085623 /nfs/dbraw/zinc/08/56/23/565085623.db2.gz FBLZAPGGEUQLBG-SNVBAGLBSA-N -1 1 378.834 2.647 20 5 GFBDMM Cc1nnc(Oc2ccc(Br)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000822514076 599053922 /nfs/dbraw/zinc/05/39/22/599053922.db2.gz BIZQIBGEZJHGFB-UHFFFAOYSA-N -1 1 392.173 2.737 20 5 GFBDMM Cc1nnc(Oc2ccc(Br)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000822514076 599053925 /nfs/dbraw/zinc/05/39/25/599053925.db2.gz BIZQIBGEZJHGFB-UHFFFAOYSA-N -1 1 392.173 2.737 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000738369600 599260068 /nfs/dbraw/zinc/26/00/68/599260068.db2.gz JTHWFPUFZBWDQN-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000738369600 599260070 /nfs/dbraw/zinc/26/00/70/599260070.db2.gz JTHWFPUFZBWDQN-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM O=Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Br ZINC000823557836 607306296 /nfs/dbraw/zinc/30/62/96/607306296.db2.gz RZBPWNPAWVYXKK-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Br ZINC000823557836 607306297 /nfs/dbraw/zinc/30/62/97/607306297.db2.gz RZBPWNPAWVYXKK-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM CN(C)[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000830581770 601108647 /nfs/dbraw/zinc/10/86/47/601108647.db2.gz QWBNBVWHEZGCNH-INIZCTEOSA-N -1 1 391.811 2.979 20 5 GFBDMM C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000548597653 601225155 /nfs/dbraw/zinc/22/51/55/601225155.db2.gz OROPOWOVNHOLPO-QMTHXVAHSA-N -1 1 398.824 2.989 20 5 GFBDMM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921353 601370198 /nfs/dbraw/zinc/37/01/98/601370198.db2.gz PLDWMGSIGZVARJ-KGLIPLIRSA-N -1 1 385.420 2.957 20 5 GFBDMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000827443073 601381423 /nfs/dbraw/zinc/38/14/23/601381423.db2.gz YBMBWQQLCHRVBA-QWRGUYRKSA-N -1 1 392.437 2.698 20 5 GFBDMM O=C([O-])N1CCC(N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)CC1 ZINC000740507934 601933146 /nfs/dbraw/zinc/93/31/46/601933146.db2.gz RYOZRYZFKCVCGB-UHFFFAOYSA-N -1 1 387.396 2.752 20 5 GFBDMM CC(C)CC(CC(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824229422 607607582 /nfs/dbraw/zinc/60/75/82/607607582.db2.gz QCXUUQBBCVTQGN-UHFFFAOYSA-N -1 1 396.473 2.514 20 5 GFBDMM CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC(NC(=O)[O-])CC1 ZINC000828426888 603789214 /nfs/dbraw/zinc/78/92/14/603789214.db2.gz RCXDYFRABHZMGB-UHFFFAOYSA-N -1 1 375.385 2.655 20 5 GFBDMM CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(NC(=O)[O-])CC1 ZINC000828115702 603835948 /nfs/dbraw/zinc/83/59/48/603835948.db2.gz XTROEMJTUDDJEO-UHFFFAOYSA-N -1 1 384.820 2.697 20 5 GFBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000833623048 605096667 /nfs/dbraw/zinc/09/66/67/605096667.db2.gz DGJNQMNPGGLCIU-CYBMUJFWSA-N -1 1 377.441 2.513 20 5 GFBDMM COc1ccccc1N1CC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000821899511 606645634 /nfs/dbraw/zinc/64/56/34/606645634.db2.gz ZWCFEUHMELWOEO-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000820778011 606704818 /nfs/dbraw/zinc/70/48/18/606704818.db2.gz UIHRDFUDYMYPOH-VXGBXAGGSA-N -1 1 396.411 2.527 20 5 GFBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000820778011 606704822 /nfs/dbraw/zinc/70/48/22/606704822.db2.gz UIHRDFUDYMYPOH-VXGBXAGGSA-N -1 1 396.411 2.527 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccccc1C(F)(F)F ZINC000823625538 606709382 /nfs/dbraw/zinc/70/93/82/606709382.db2.gz XXURNNHKFMKBBX-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccccc1C(F)(F)F ZINC000823625538 606709383 /nfs/dbraw/zinc/70/93/83/606709383.db2.gz XXURNNHKFMKBBX-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM Cc1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000822239790 606788194 /nfs/dbraw/zinc/78/81/94/606788194.db2.gz DRBVDBPHJPDTBP-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000823640027 606801618 /nfs/dbraw/zinc/80/16/18/606801618.db2.gz PSGAPXRZZJGEOY-UHFFFAOYSA-N -1 1 382.771 2.984 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000823640027 606801619 /nfs/dbraw/zinc/80/16/19/606801619.db2.gz PSGAPXRZZJGEOY-UHFFFAOYSA-N -1 1 382.771 2.984 20 5 GFBDMM COc1ccc2ccccc2c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821853820 607167053 /nfs/dbraw/zinc/16/70/53/607167053.db2.gz AYLHNGDMXQSSJK-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM COc1ccc2ccccc2c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821853820 607167054 /nfs/dbraw/zinc/16/70/54/607167054.db2.gz AYLHNGDMXQSSJK-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826299900 607866691 /nfs/dbraw/zinc/86/66/91/607866691.db2.gz AOKISQYNSIWQJG-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826299900 607866692 /nfs/dbraw/zinc/86/66/92/607866692.db2.gz AOKISQYNSIWQJG-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825675135 608117546 /nfs/dbraw/zinc/11/75/46/608117546.db2.gz WXFSRJAPYDMULR-UHFFFAOYSA-N -1 1 386.393 2.639 20 5 GFBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825675135 608117547 /nfs/dbraw/zinc/11/75/47/608117547.db2.gz WXFSRJAPYDMULR-UHFFFAOYSA-N -1 1 386.393 2.639 20 5 GFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000828154919 660537926 /nfs/dbraw/zinc/53/79/26/660537926.db2.gz HJERDTVVCBMMML-XWIASGKRSA-N -1 1 398.865 2.575 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCOC1 ZINC000831063780 660692238 /nfs/dbraw/zinc/69/22/38/660692238.db2.gz XRKRWRUYCDBKPE-IUCAKERBSA-N -1 1 383.253 2.995 20 5 GFBDMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831090555 660694901 /nfs/dbraw/zinc/69/49/01/660694901.db2.gz DSTYIFXIGIRZQF-YUMQZZPRSA-N -1 1 399.252 2.768 20 5 GFBDMM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831394638 660709152 /nfs/dbraw/zinc/70/91/52/660709152.db2.gz SBAMTTSMMKJGQJ-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1[N-]S(C)(=O)=O ZINC000029971233 654581472 /nfs/dbraw/zinc/58/14/72/654581472.db2.gz YCOGHJLHHXCKEY-UHFFFAOYSA-N -1 1 385.423 2.597 20 5 GFBDMM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000063766078 654857761 /nfs/dbraw/zinc/85/77/61/654857761.db2.gz KBKISYWFFCPGGA-UHFFFAOYSA-N -1 1 389.842 2.535 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)s1 ZINC000066000339 654892301 /nfs/dbraw/zinc/89/23/01/654892301.db2.gz CNQFJCRBWPXSPT-UHFFFAOYSA-N -1 1 383.451 2.851 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000269155892 655000023 /nfs/dbraw/zinc/00/00/23/655000023.db2.gz UVLJLWSJVJJMNW-QMTHXVAHSA-N -1 1 392.886 2.581 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157918424 655103429 /nfs/dbraw/zinc/10/34/29/655103429.db2.gz PQRZZLXRZAYIDE-JQWIXIFHSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000173639064 655175742 /nfs/dbraw/zinc/17/57/42/655175742.db2.gz NTKXSECHSLEWOF-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1C ZINC000115313029 655234462 /nfs/dbraw/zinc/23/44/62/655234462.db2.gz QVXKSPIDWHFFCX-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788083723 657648379 /nfs/dbraw/zinc/64/83/79/657648379.db2.gz UGQQIAFNRHKPHY-UHFFFAOYSA-N -1 1 395.275 2.577 20 5 GFBDMM Cn1[n-]cc2c(=NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccnc1-2 ZINC000791284696 658076296 /nfs/dbraw/zinc/07/62/96/658076296.db2.gz CFNLEJBNJYMATN-UHFFFAOYSA-N -1 1 377.813 2.634 20 5 GFBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795821750 658854755 /nfs/dbraw/zinc/85/47/55/658854755.db2.gz CWWGSPXYWYRVDG-GMSGAONNSA-N -1 1 381.223 2.963 20 5 GFBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795941518 658875418 /nfs/dbraw/zinc/87/54/18/658875418.db2.gz BLWZCXCFQTXPES-JGVFFNPUSA-N -1 1 381.223 2.963 20 5 GFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795941516 658875423 /nfs/dbraw/zinc/87/54/23/658875423.db2.gz BLWZCXCFQTXPES-HTQZYQBOSA-N -1 1 381.223 2.963 20 5 GFBDMM COC(=O)c1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)[n-]1 ZINC000796343178 658913819 /nfs/dbraw/zinc/91/38/19/658913819.db2.gz CEVWUNNYUIJMQJ-UHFFFAOYSA-N -1 1 383.154 2.829 20 5 GFBDMM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798225123 659084574 /nfs/dbraw/zinc/08/45/74/659084574.db2.gz SRQAGGQBEXHJLS-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809818254 659941938 /nfs/dbraw/zinc/94/19/38/659941938.db2.gz GDJTVHHTPLRCQH-CYBMUJFWSA-N -1 1 397.236 2.522 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccsc1 ZINC000809820095 659942624 /nfs/dbraw/zinc/94/26/24/659942624.db2.gz MQPAGGKQCVADAR-ZDUSSCGKSA-N -1 1 394.833 2.635 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)cc1Cl ZINC000809822731 659943604 /nfs/dbraw/zinc/94/36/04/659943604.db2.gz TYYQTZCMBVSPMM-GFCCVEGCSA-N -1 1 380.825 2.607 20 5 GFBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826366 659944594 /nfs/dbraw/zinc/94/45/94/659944594.db2.gz YXKSHRKJRZKNKU-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC000809831531 659946320 /nfs/dbraw/zinc/94/63/20/659946320.db2.gz ALWTWWDKKHEOMN-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017426 660101933 /nfs/dbraw/zinc/10/19/33/660101933.db2.gz LAOWPXNASKTYRB-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815022979 660103157 /nfs/dbraw/zinc/10/31/57/660103157.db2.gz GATXESRGNHVSBG-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000815025677 660103602 /nfs/dbraw/zinc/10/36/02/660103602.db2.gz XMCSJSFILNSZOA-DYLAAIIWSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000815039589 660105827 /nfs/dbraw/zinc/10/58/27/660105827.db2.gz ZDFYQMOTHJUCMC-OAHLLOKOSA-N -1 1 394.852 2.997 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000815047878 660107096 /nfs/dbraw/zinc/10/70/96/660107096.db2.gz LYNCWLRSKXEJQM-CQSZACIVSA-N -1 1 394.852 2.853 20 5 GFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OCC1CC1 ZINC000841558462 661300640 /nfs/dbraw/zinc/30/06/40/661300640.db2.gz ALZYOSJLEVRNJO-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1Cl ZINC000841574464 661305840 /nfs/dbraw/zinc/30/58/40/661305840.db2.gz TXBXKLKIMDEIIT-RKDXNWHRSA-N -1 1 383.253 2.731 20 5 GFBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000842803064 661355497 /nfs/dbraw/zinc/35/54/97/661355497.db2.gz NCBMAYRKEITEMF-LLVKDONJSA-N -1 1 379.232 2.524 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845975499 661514858 /nfs/dbraw/zinc/51/48/58/661514858.db2.gz BOIKDTJSGXDTGN-ZBEGNZNMSA-N -1 1 384.841 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c(Cl)cc1Cl ZINC000859367388 662156741 /nfs/dbraw/zinc/15/67/41/662156741.db2.gz FIFVLLVNEWANPN-QPUJVOFHSA-N -1 1 381.237 2.747 20 5 GFBDMM O=C(CSc1ccc(Br)cn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000919676528 664516526 /nfs/dbraw/zinc/51/65/26/664516526.db2.gz BCNZVCMFLYBKFI-UHFFFAOYSA-N -1 1 396.222 2.801 20 5 GFBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000125249915 551320795 /nfs/dbraw/zinc/32/07/95/551320795.db2.gz OWKHSLHBDJMEIA-LBPRGKRZSA-N -1 1 390.870 2.938 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157892621 551544411 /nfs/dbraw/zinc/54/44/11/551544411.db2.gz DKUOOOWRBAAZJU-PWSUYJOCSA-N -1 1 393.259 2.593 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000187135014 552407320 /nfs/dbraw/zinc/40/73/20/552407320.db2.gz XATMLEARYZEPLI-JTQLQIEISA-N -1 1 375.403 2.629 20 5 GFBDMM Cc1cc(Br)c2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000194033810 553010462 /nfs/dbraw/zinc/01/04/62/553010462.db2.gz HBVKUANWRFVOMV-UHFFFAOYSA-N -1 1 392.209 2.965 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452041642 564385612 /nfs/dbraw/zinc/38/56/12/564385612.db2.gz AYLAQIYTBCSNEZ-ONGXEEELSA-N -1 1 375.244 2.682 20 5 GFBDMM O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298888268 563370380 /nfs/dbraw/zinc/37/03/80/563370380.db2.gz UCVHFQBJWFKJDD-UHFFFAOYSA-N -1 1 395.213 2.774 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c(Cl)cc1Cl ZINC000377883759 563490095 /nfs/dbraw/zinc/49/00/95/563490095.db2.gz LABPNKVXRIXFJB-HNBZJPLGSA-N -1 1 381.237 2.747 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443290862 563799267 /nfs/dbraw/zinc/79/92/67/563799267.db2.gz ZNFHCJFIJGTECM-LLVKDONJSA-N -1 1 392.767 2.538 20 5 GFBDMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412178 563869792 /nfs/dbraw/zinc/86/97/92/563869792.db2.gz LERKUYOLIINAEF-LLVKDONJSA-N -1 1 395.213 2.737 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000544672665 564393679 /nfs/dbraw/zinc/39/36/79/564393679.db2.gz MPFFEDGPEVAXHP-OLZOCXBDSA-N -1 1 386.426 2.994 20 5 GFBDMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000480068835 564459484 /nfs/dbraw/zinc/45/94/84/564459484.db2.gz KHSZEHLGPKLTQD-UHFFFAOYSA-N -1 1 375.859 2.843 20 5 GFBDMM O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000530420289 564880717 /nfs/dbraw/zinc/88/07/17/564880717.db2.gz VBHRGJXWCIVOQY-SNVBAGLBSA-N -1 1 397.236 2.823 20 5 GFBDMM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000591743551 565237387 /nfs/dbraw/zinc/23/73/87/565237387.db2.gz DNYKHFTYJMWYKW-CPCISQLKSA-N -1 1 399.252 2.925 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592109300 565256648 /nfs/dbraw/zinc/25/66/48/565256648.db2.gz YTSQOHVQGFLDPV-ATZCPNFKSA-N -1 1 375.244 2.824 20 5 GFBDMM Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1Br ZINC000597730777 565573022 /nfs/dbraw/zinc/57/30/22/565573022.db2.gz ATORZCAKGJAORQ-UHFFFAOYSA-N -1 1 383.202 2.850 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000599521825 565686655 /nfs/dbraw/zinc/68/66/55/565686655.db2.gz NVUDQRXUFPIKGA-CYBMUJFWSA-N -1 1 384.845 2.821 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000609598151 566046902 /nfs/dbraw/zinc/04/69/02/566046902.db2.gz GODFCDUMYFSDQV-HNNXBMFYSA-N -1 1 382.825 2.841 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000610269332 566074017 /nfs/dbraw/zinc/07/40/17/566074017.db2.gz VIBLLFUNMSXTME-SECBINFHSA-N -1 1 390.204 2.709 20 5 GFBDMM CCC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833636370 605331423 /nfs/dbraw/zinc/33/14/23/605331423.db2.gz PJJSLNGROGUSMU-UHFFFAOYSA-N -1 1 378.362 2.687 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000824453607 605374082 /nfs/dbraw/zinc/37/40/82/605374082.db2.gz PXOYUZXSLMACPD-RYUDHWBXSA-N -1 1 379.417 2.578 20 5 GFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833230 605900702 /nfs/dbraw/zinc/90/07/02/605900702.db2.gz XBKRHAOTPGAWKT-GRYCIOLGSA-N -1 1 375.385 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826497343 608234302 /nfs/dbraw/zinc/23/43/02/608234302.db2.gz DJJSJAXABFWOPL-OAHLLOKOSA-N -1 1 392.354 2.906 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826497343 608234305 /nfs/dbraw/zinc/23/43/05/608234305.db2.gz DJJSJAXABFWOPL-OAHLLOKOSA-N -1 1 392.354 2.906 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000125304952 654790564 /nfs/dbraw/zinc/79/05/64/654790564.db2.gz CHRQXXXIPJGKEZ-UHFFFAOYSA-N -1 1 378.801 2.676 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000066001353 654892559 /nfs/dbraw/zinc/89/25/59/654892559.db2.gz UOJRRNNKZLRHFC-IUODEOHRSA-N -1 1 386.426 2.994 20 5 GFBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135359862 655014639 /nfs/dbraw/zinc/01/46/39/655014639.db2.gz JKDKRRHQHQEXIT-UHFFFAOYSA-N -1 1 383.289 2.777 20 5 GFBDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000170658150 655144998 /nfs/dbraw/zinc/14/49/98/655144998.db2.gz SSLSQKHTIHQUEJ-UHFFFAOYSA-N -1 1 383.813 2.685 20 5 GFBDMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751987405 655837867 /nfs/dbraw/zinc/83/78/67/655837867.db2.gz MKTURPNLYSDUCK-IAQYHMDHSA-N -1 1 376.862 2.978 20 5 GFBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000751990328 655838079 /nfs/dbraw/zinc/83/80/79/655838079.db2.gz XMOWUHARRVDURJ-LLVKDONJSA-N -1 1 378.834 2.648 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000763362829 656080867 /nfs/dbraw/zinc/08/08/67/656080867.db2.gz CLRQWHXEXJYRGQ-CYBMUJFWSA-N -1 1 392.861 2.893 20 5 GFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000770703739 656327644 /nfs/dbraw/zinc/32/76/44/656327644.db2.gz DIBXZXQLNYYZLF-WPPNPWJKSA-N -1 1 386.191 2.854 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775725213 656674076 /nfs/dbraw/zinc/67/40/76/656674076.db2.gz QRVWFXDWMBFYBB-ABAIWWIYSA-N -1 1 390.845 2.648 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000795288512 658801072 /nfs/dbraw/zinc/80/10/72/658801072.db2.gz CRJJDDFBBWFGRU-ZETCQYMHSA-N -1 1 392.256 2.853 20 5 GFBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000795847964 658857643 /nfs/dbraw/zinc/85/76/43/658857643.db2.gz HFLLGAXANKDEKL-SECBINFHSA-N -1 1 388.804 2.919 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCc1ccco1 ZINC000795927200 658873203 /nfs/dbraw/zinc/87/32/03/658873203.db2.gz MCTXEHINFVESJB-UHFFFAOYSA-N -1 1 393.190 2.610 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000795959131 658876798 /nfs/dbraw/zinc/87/67/98/658876798.db2.gz QRKYMKKZVASOIU-NAZOXTDDSA-N -1 1 379.207 2.573 20 5 GFBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795976187 658878129 /nfs/dbraw/zinc/87/81/29/658878129.db2.gz BNBIBTBLGFNSKH-SNVBAGLBSA-N -1 1 399.263 2.669 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)Cc1ccccc1 ZINC000799829863 659233461 /nfs/dbraw/zinc/23/34/61/659233461.db2.gz ITFSLSMATHIANL-CYBMUJFWSA-N -1 1 384.841 2.520 20 5 GFBDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829479 659945750 /nfs/dbraw/zinc/94/57/50/659945750.db2.gz HELBWYFKPHRJPS-UFBFGSQYSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000809832899 659947024 /nfs/dbraw/zinc/94/70/24/659947024.db2.gz UVSHLIORWRWHBH-KBPBESRZSA-N -1 1 378.809 2.623 20 5 GFBDMM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809843802 659948398 /nfs/dbraw/zinc/94/83/98/659948398.db2.gz QITCOIUCTJRGTH-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000815022684 660102900 /nfs/dbraw/zinc/10/29/00/660102900.db2.gz WBNMHVCTPSDBLW-UHFFFAOYSA-N -1 1 388.804 2.882 20 5 GFBDMM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035917 660105386 /nfs/dbraw/zinc/10/53/86/660105386.db2.gz QLEGPSWPMONYFA-MRVPVSSYSA-N -1 1 389.792 2.830 20 5 GFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815042503 660106344 /nfs/dbraw/zinc/10/63/44/660106344.db2.gz LRXXQVFPRXLOCJ-VIFPVBQESA-N -1 1 396.824 2.645 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000815075364 660109620 /nfs/dbraw/zinc/10/96/20/660109620.db2.gz XUWPBKFQYNUNGE-LLVKDONJSA-N -1 1 394.852 2.854 20 5 GFBDMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)CO1 ZINC000907732189 664056737 /nfs/dbraw/zinc/05/67/37/664056737.db2.gz ONEDQOALHXMRRG-NQTXRORDSA-N -1 1 378.809 2.623 20 5 GFBDMM O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000920309277 664524798 /nfs/dbraw/zinc/52/47/98/664524798.db2.gz BZJBDXXZQYPBAY-GFCCVEGCSA-N -1 1 384.797 2.743 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)s1 ZINC000066327332 551186269 /nfs/dbraw/zinc/18/62/69/551186269.db2.gz VAFYPVHBOWEGPR-GFCCVEGCSA-N -1 1 385.467 2.755 20 5 GFBDMM CCOC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000188389166 552443851 /nfs/dbraw/zinc/44/38/51/552443851.db2.gz FNWBTAIAPGZCTM-NSHDSACASA-N -1 1 395.275 2.697 20 5 GFBDMM COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189140742 552464030 /nfs/dbraw/zinc/46/40/30/552464030.db2.gz WOXKWQFCYUVOEY-QMMMGPOBSA-N -1 1 396.197 2.958 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000191799069 552538520 /nfs/dbraw/zinc/53/85/20/552538520.db2.gz LILDDVGPHWLZOW-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000194005376 553009153 /nfs/dbraw/zinc/00/91/53/553009153.db2.gz HQVGHXMKODYEOM-UHFFFAOYSA-N -1 1 395.300 2.921 20 5 GFBDMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000296116093 563274943 /nfs/dbraw/zinc/27/49/43/563274943.db2.gz RRAFWXWLBABOCD-UHFFFAOYSA-N -1 1 393.252 2.844 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H](CO)c2ccccc21 ZINC000372721746 563315396 /nfs/dbraw/zinc/31/53/96/563315396.db2.gz DRMWIPCJFBPHIM-QMTHXVAHSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410360253 563587507 /nfs/dbraw/zinc/58/75/07/563587507.db2.gz QNLBEQXGBMCPHE-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Br)cc1 ZINC000440474789 563742950 /nfs/dbraw/zinc/74/29/50/563742950.db2.gz CWRLMPWNHJHHBX-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](CO)c2ccccc21 ZINC000364893648 563767965 /nfs/dbraw/zinc/76/79/65/563767965.db2.gz IMXZSMAUBPUZNS-YGRLFVJLSA-N -1 1 382.825 2.747 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544672666 564393431 /nfs/dbraw/zinc/39/34/31/564393431.db2.gz MPFFEDGPEVAXHP-QWHCGFSZSA-N -1 1 386.426 2.994 20 5 GFBDMM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000478775599 564414373 /nfs/dbraw/zinc/41/43/73/564414373.db2.gz VLTQZLRYODJUMX-OAHLLOKOSA-N -1 1 392.861 2.894 20 5 GFBDMM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548217184 564537711 /nfs/dbraw/zinc/53/77/11/564537711.db2.gz QSVJUPVMQZYWLV-ZETCQYMHSA-N -1 1 385.225 2.823 20 5 GFBDMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000581271244 564795559 /nfs/dbraw/zinc/79/55/59/564795559.db2.gz BEGRTUOLOZMYOT-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1c([O-])cc(Br)cc1Cl ZINC000556847440 564843635 /nfs/dbraw/zinc/84/36/35/564843635.db2.gz NRMYAFFBTGVJKV-UHFFFAOYSA-N -1 1 389.593 2.942 20 5 GFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000582889601 564866625 /nfs/dbraw/zinc/86/66/25/564866625.db2.gz NGIOBXXMESHCGT-VIFPVBQESA-N -1 1 378.353 2.860 20 5 GFBDMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534243872 564983813 /nfs/dbraw/zinc/98/38/13/564983813.db2.gz JJCWWUGFNSFGET-ZCFIWIBFSA-N -1 1 394.240 2.622 20 5 GFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000594486326 565395689 /nfs/dbraw/zinc/39/56/89/565395689.db2.gz NVMQYINYGJJZPV-JTQLQIEISA-N -1 1 378.472 2.549 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1Br ZINC000598734385 565638532 /nfs/dbraw/zinc/63/85/32/565638532.db2.gz HQOWAPPWJJSTBS-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000599370864 565672534 /nfs/dbraw/zinc/67/25/34/565672534.db2.gz AAMOMYCHUYJWMO-LLVKDONJSA-N -1 1 398.750 2.527 20 5 GFBDMM O=C(NCCCc1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609421730 566039064 /nfs/dbraw/zinc/03/90/64/566039064.db2.gz NTJNQMHHJQHQAX-UHFFFAOYSA-N -1 1 380.198 2.821 20 5 GFBDMM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCN(Cc2ccccc2)C1 ZINC000833128186 601730031 /nfs/dbraw/zinc/73/00/31/601730031.db2.gz AKWMPYARERBLKS-GOSISDBHSA-N -1 1 389.433 2.506 20 5 GFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821607464 606501484 /nfs/dbraw/zinc/50/14/84/606501484.db2.gz PPKWLOMLUDKHBB-UHFFFAOYSA-N -1 1 378.801 2.762 20 5 GFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821607464 606501486 /nfs/dbraw/zinc/50/14/86/606501486.db2.gz PPKWLOMLUDKHBB-UHFFFAOYSA-N -1 1 378.801 2.762 20 5 GFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000820455124 606644671 /nfs/dbraw/zinc/64/46/71/606644671.db2.gz DPUUPGUMCFCMTC-NSHDSACASA-N -1 1 377.368 2.529 20 5 GFBDMM Cc1nc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)sc1C ZINC000822437325 606705471 /nfs/dbraw/zinc/70/54/71/606705471.db2.gz ZBDCXHUKXMXMEO-NSHDSACASA-N -1 1 386.441 2.627 20 5 GFBDMM Cc1nc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)sc1C ZINC000822437325 606705473 /nfs/dbraw/zinc/70/54/73/606705473.db2.gz ZBDCXHUKXMXMEO-NSHDSACASA-N -1 1 386.441 2.627 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000820281951 606712890 /nfs/dbraw/zinc/71/28/90/606712890.db2.gz ZRATVNIMYWSPAT-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000820281951 606712891 /nfs/dbraw/zinc/71/28/91/606712891.db2.gz ZRATVNIMYWSPAT-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM CCC[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000829902420 660621009 /nfs/dbraw/zinc/62/10/09/660621009.db2.gz FBJXRIAUQDAOCB-ZDUSSCGKSA-N -1 1 399.252 2.912 20 5 GFBDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633681 660668218 /nfs/dbraw/zinc/66/82/18/660668218.db2.gz VUCHNUJYIFJUMU-NSHDSACASA-N -1 1 385.269 2.977 20 5 GFBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830754956 660677981 /nfs/dbraw/zinc/67/79/81/660677981.db2.gz RTUOXBOJDITOLT-BDAKNGLRSA-N -1 1 385.269 2.977 20 5 GFBDMM CO[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831597979 660714373 /nfs/dbraw/zinc/71/43/73/660714373.db2.gz UOJRHGXXUWYONK-CYBMUJFWSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCC2CCOCC2)cc1Cl ZINC000831683386 660719393 /nfs/dbraw/zinc/71/93/93/660719393.db2.gz QOMPBSWBDMYDLK-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000124007949 654768758 /nfs/dbraw/zinc/76/87/58/654768758.db2.gz IKGUDXLOYLWHPM-VIFPVBQESA-N -1 1 381.273 2.531 20 5 GFBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000108404618 655132390 /nfs/dbraw/zinc/13/23/90/655132390.db2.gz XZQMDTNVBZKVKX-UHFFFAOYSA-N -1 1 375.859 2.843 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccn1 ZINC000194190059 655414706 /nfs/dbraw/zinc/41/47/06/655414706.db2.gz PZXWEBWBFMVFPO-SECBINFHSA-N -1 1 386.227 2.792 20 5 GFBDMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000745942911 655756178 /nfs/dbraw/zinc/75/61/78/655756178.db2.gz SWICVSMYJBDTML-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1c(F)cccc1F ZINC000751466566 655828637 /nfs/dbraw/zinc/82/86/37/655828637.db2.gz NBSCSNQUFZETAO-IINYFYTJSA-N -1 1 392.405 2.725 20 5 GFBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000775735919 656676921 /nfs/dbraw/zinc/67/69/21/656676921.db2.gz GBKIBZVJVSHVQG-NSHDSACASA-N -1 1 376.862 2.715 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1 ZINC000783839699 657264591 /nfs/dbraw/zinc/26/45/91/657264591.db2.gz PBYNKOSFPXJIKL-UHFFFAOYSA-N -1 1 399.841 2.867 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000795842009 658857021 /nfs/dbraw/zinc/85/70/21/658857021.db2.gz GQCSUBGZULASHD-MRVPVSSYSA-N -1 1 379.207 2.883 20 5 GFBDMM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796104714 658892406 /nfs/dbraw/zinc/89/24/06/658892406.db2.gz QHSHSRHVVBSTIF-XHDPSFHLSA-N -1 1 384.841 2.957 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800929041 659351427 /nfs/dbraw/zinc/35/14/27/659351427.db2.gz FENCWQJPNQJEDY-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000809832900 659946969 /nfs/dbraw/zinc/94/69/69/659946969.db2.gz UVSHLIORWRWHBH-KGLIPLIRSA-N -1 1 378.809 2.623 20 5 GFBDMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832785 659947001 /nfs/dbraw/zinc/94/70/01/659947001.db2.gz SQVZHOBWRVKECA-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809839013 659947821 /nfs/dbraw/zinc/94/78/21/659947821.db2.gz DWVMDZXQSLWNNP-SECBINFHSA-N -1 1 396.824 2.786 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000809847004 659948990 /nfs/dbraw/zinc/94/89/90/659948990.db2.gz NMLOKKJYOJOVGQ-RFAUZJTJSA-N -1 1 388.804 2.788 20 5 GFBDMM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000810115160 659962888 /nfs/dbraw/zinc/96/28/88/659962888.db2.gz UBCRQKCQHVFQLY-ZDUSSCGKSA-N -1 1 382.825 2.839 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000815028704 660104021 /nfs/dbraw/zinc/10/40/21/660104021.db2.gz HGMUAVGKYIDJOO-UHFFFAOYSA-N -1 1 396.771 2.961 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c(Cl)cc1Cl ZINC000849468671 661731834 /nfs/dbraw/zinc/73/18/34/661731834.db2.gz AWZQNKQVCMNWEX-SECBINFHSA-N -1 1 383.253 2.589 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c1Cl ZINC000849469310 661731843 /nfs/dbraw/zinc/73/18/43/661731843.db2.gz UQQBDNNDSSPDQD-SECBINFHSA-N -1 1 383.253 2.589 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(Cl)cc1Cl ZINC000859253179 662147853 /nfs/dbraw/zinc/14/78/53/662147853.db2.gz RNNXYXKMTTVFFB-SECBINFHSA-N -1 1 383.253 2.997 20 5 GFBDMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859300388 662151751 /nfs/dbraw/zinc/15/17/51/662151751.db2.gz YVIIFUFORDWTAI-SECBINFHSA-N -1 1 385.269 2.977 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000859354184 662155794 /nfs/dbraw/zinc/15/57/94/662155794.db2.gz SYNODQWNQFEGKQ-UHFFFAOYSA-N -1 1 381.237 2.939 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1Cl ZINC000921608274 664557469 /nfs/dbraw/zinc/55/74/69/664557469.db2.gz NOBFWPVGZFWXQB-AEJSXWLSSA-N -1 1 393.248 2.771 20 5 GFBDMM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333876 551186326 /nfs/dbraw/zinc/18/63/26/551186326.db2.gz YXKPVNLXNUMVJR-OCCSQVGLSA-N -1 1 381.479 2.770 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000119500339 551216835 /nfs/dbraw/zinc/21/68/35/551216835.db2.gz CXEKHQNGAXMEHJ-GFCCVEGCSA-N -1 1 389.886 2.891 20 5 GFBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000125249766 551321043 /nfs/dbraw/zinc/32/10/43/551321043.db2.gz OWKHSLHBDJMEIA-GFCCVEGCSA-N -1 1 390.870 2.938 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000162750796 551612194 /nfs/dbraw/zinc/61/21/94/551612194.db2.gz CLEKJABPUALEKF-UHFFFAOYSA-N -1 1 376.423 2.724 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000180741808 552234529 /nfs/dbraw/zinc/23/45/29/552234529.db2.gz GCDUVZFIBOVQFF-BXUZGUMPSA-N -1 1 390.389 2.743 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246047300 553101700 /nfs/dbraw/zinc/10/17/00/553101700.db2.gz ASIMZUXKMHNEDQ-COLVAYQJSA-N -1 1 386.857 2.874 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])n1 ZINC000435596661 563654462 /nfs/dbraw/zinc/65/44/62/563654462.db2.gz GNINJVWDZYZNHV-AULYBMBSSA-N -1 1 384.845 2.689 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000435803056 563658933 /nfs/dbraw/zinc/65/89/33/563658933.db2.gz AWGFXYLFYGJQEV-UHFFFAOYSA-N -1 1 390.874 2.535 20 5 GFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000445013366 563841025 /nfs/dbraw/zinc/84/10/25/563841025.db2.gz QDMOCQUQQFEOMX-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000508109177 564254514 /nfs/dbraw/zinc/25/45/14/564254514.db2.gz IPFJTTNXAJPISI-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512449 564375550 /nfs/dbraw/zinc/37/55/50/564375550.db2.gz UQIXJHOMAVVHGK-TZMCWYRMSA-N -1 1 381.479 2.598 20 5 GFBDMM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479486242 564441711 /nfs/dbraw/zinc/44/17/11/564441711.db2.gz MJBQITGFLGFFBZ-NSHDSACASA-N -1 1 386.451 2.658 20 5 GFBDMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000467077736 564954963 /nfs/dbraw/zinc/95/49/63/564954963.db2.gz DIJWNXNFJFALRJ-SSDOTTSWSA-N -1 1 377.469 2.607 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000533175577 564956872 /nfs/dbraw/zinc/95/68/72/564956872.db2.gz HCKYZQSBBAISES-UHFFFAOYSA-N -1 1 386.861 2.721 20 5 GFBDMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000593274709 565322890 /nfs/dbraw/zinc/32/28/90/565322890.db2.gz BOABQQYLLSDWDZ-MRVPVSSYSA-N -1 1 397.236 2.681 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593646239 565351765 /nfs/dbraw/zinc/35/17/65/565351765.db2.gz ZNQPASXTLYNFCC-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000610032557 566062668 /nfs/dbraw/zinc/06/26/68/566062668.db2.gz JXJFUXRLUBMKGL-UHFFFAOYSA-N -1 1 397.210 2.806 20 5 GFBDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737300984 598929713 /nfs/dbraw/zinc/92/97/13/598929713.db2.gz GMGHYEYQIOYBRS-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1n[nH]c(-c2ccccc2)n1 ZINC000740094409 600434405 /nfs/dbraw/zinc/43/44/05/600434405.db2.gz DASKVCVCMUMINA-UHFFFAOYSA-N -1 1 384.308 2.598 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1nc(-c2ccccc2)n[nH]1 ZINC000740094409 600434407 /nfs/dbraw/zinc/43/44/07/600434407.db2.gz DASKVCVCMUMINA-UHFFFAOYSA-N -1 1 384.308 2.598 20 5 GFBDMM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727406 600692186 /nfs/dbraw/zinc/69/21/86/600692186.db2.gz JKXFCMNBPMXOPX-QMTHXVAHSA-N -1 1 375.406 2.811 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000832098143 602308687 /nfs/dbraw/zinc/30/86/87/602308687.db2.gz VKFZONYFQWKCFA-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711200 603624330 /nfs/dbraw/zinc/62/43/30/603624330.db2.gz BHFGZIDIDBPIBG-JTQLQIEISA-N -1 1 386.836 2.801 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(Cl)c1 ZINC000826292868 607642874 /nfs/dbraw/zinc/64/28/74/607642874.db2.gz PKMFOGWAGLUMQH-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000820455123 606644457 /nfs/dbraw/zinc/64/44/57/606644457.db2.gz DPUUPGUMCFCMTC-LLVKDONJSA-N -1 1 377.368 2.529 20 5 GFBDMM CC(C)OC(=O)NCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820142842 606710695 /nfs/dbraw/zinc/71/06/95/606710695.db2.gz YLEPYKKMTAWDQD-UHFFFAOYSA-N -1 1 398.383 2.548 20 5 GFBDMM CC(C)OC(=O)NCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820142842 606710697 /nfs/dbraw/zinc/71/06/97/606710697.db2.gz YLEPYKKMTAWDQD-UHFFFAOYSA-N -1 1 398.383 2.548 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821679242 606713549 /nfs/dbraw/zinc/71/35/49/606713549.db2.gz YWYHJMLZKFYYKP-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821679242 606713550 /nfs/dbraw/zinc/71/35/50/606713550.db2.gz YWYHJMLZKFYYKP-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000827799341 660516440 /nfs/dbraw/zinc/51/64/40/660516440.db2.gz QKCMKHVDSKCRNB-UWVGGRQHSA-N -1 1 393.487 2.626 20 5 GFBDMM C[C@H](C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C ZINC000827799344 660516821 /nfs/dbraw/zinc/51/68/21/660516821.db2.gz QKCMKHVDSKCRNB-ZJUUUORDSA-N -1 1 393.487 2.626 20 5 GFBDMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830973020 660689283 /nfs/dbraw/zinc/68/92/83/660689283.db2.gz XUQNKDORECHMMB-QMMMGPOBSA-N -1 1 399.252 2.769 20 5 GFBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC000836706986 660933962 /nfs/dbraw/zinc/93/39/62/660933962.db2.gz NDYZVNOOQHJTJD-UHFFFAOYSA-N -1 1 384.801 2.766 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000066569324 654906551 /nfs/dbraw/zinc/90/65/51/654906551.db2.gz MGUOEPGGQBJAGO-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000066587256 654908013 /nfs/dbraw/zinc/90/80/13/654908013.db2.gz QUVQYSPWLKDDKW-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2I)n1 ZINC000135307425 655013659 /nfs/dbraw/zinc/01/36/59/655013659.db2.gz JDMROOYEBRLZND-UHFFFAOYSA-N -1 1 390.162 2.612 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000156394576 655092677 /nfs/dbraw/zinc/09/26/77/655092677.db2.gz ILUQBGFJCFVPPZ-JTQLQIEISA-N -1 1 395.300 2.921 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000195019806 655418536 /nfs/dbraw/zinc/41/85/36/655418536.db2.gz XEZHDHLXOSMHSD-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000734848003 655635455 /nfs/dbraw/zinc/63/54/55/655635455.db2.gz GVTHKYUUEYFCAR-ZDUSSCGKSA-N -1 1 382.829 2.703 20 5 GFBDMM Cc1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000790893186 658040812 /nfs/dbraw/zinc/04/08/12/658040812.db2.gz UOIWJNSPKBNJRJ-UHFFFAOYSA-N -1 1 385.785 2.943 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1O ZINC000795849817 658858844 /nfs/dbraw/zinc/85/88/44/658858844.db2.gz BKJFAXPUWUYTNK-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1 ZINC000798225233 659084534 /nfs/dbraw/zinc/08/45/34/659084534.db2.gz RHGFWYFPOMJHLJ-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCOC1 ZINC000809831532 659946354 /nfs/dbraw/zinc/94/63/54/659946354.db2.gz ALWTWWDKKHEOMN-IUCAKERBSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000815016000 660101701 /nfs/dbraw/zinc/10/17/01/660101701.db2.gz UXPYPAKGGVGTKW-ZDUSSCGKSA-N -1 1 380.825 2.607 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000815018191 660101983 /nfs/dbraw/zinc/10/19/83/660101983.db2.gz IYBOMOPEMPKZEP-MCCGJVOXSA-N -1 1 392.836 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000815017715 660102059 /nfs/dbraw/zinc/10/20/59/660102059.db2.gz UDMDBLCIZVDEOU-ZDUSSCGKSA-N -1 1 394.852 2.997 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000815020715 660102452 /nfs/dbraw/zinc/10/24/52/660102452.db2.gz DHYNXLLGOSCPTG-KBPBESRZSA-N -1 1 380.825 2.607 20 5 GFBDMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815034051 660104947 /nfs/dbraw/zinc/10/49/47/660104947.db2.gz BQWXLBKSADYVRJ-USEMIUTHSA-N -1 1 394.808 2.564 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000846031455 661526053 /nfs/dbraw/zinc/52/60/53/661526053.db2.gz CNQSHVQWBFUVMS-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920936253 664534468 /nfs/dbraw/zinc/53/44/68/664534468.db2.gz GNNVBCJIQQNCRE-XCBNKYQSSA-N -1 1 388.751 2.636 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000187350588 552413084 /nfs/dbraw/zinc/41/30/84/552413084.db2.gz OFGBMZKVGIPOTI-UHFFFAOYSA-N -1 1 378.801 2.676 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000190373363 552494498 /nfs/dbraw/zinc/49/44/98/552494498.db2.gz JRBHXIBVPKMIBX-OAHLLOKOSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295244954 563238490 /nfs/dbraw/zinc/23/84/90/563238490.db2.gz YNKXTJNHNKOTJI-IUCAKERBSA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000420756219 563284457 /nfs/dbraw/zinc/28/44/57/563284457.db2.gz CUZRJRNSQAOKBT-UHFFFAOYSA-N -1 1 387.849 2.634 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327592623 563458789 /nfs/dbraw/zinc/45/87/89/563458789.db2.gz GJPMLJKOWHYULZ-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000392731778 563527152 /nfs/dbraw/zinc/52/71/52/563527152.db2.gz LMXFLANGYCPVLB-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM CN(C)C(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000471216211 564189822 /nfs/dbraw/zinc/18/98/22/564189822.db2.gz OQRHZTHROMVMKN-UHFFFAOYSA-N -1 1 399.226 2.768 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1Br ZINC000450022027 564213391 /nfs/dbraw/zinc/21/33/91/564213391.db2.gz XNLCAZDFXQFBMF-UHFFFAOYSA-N -1 1 381.230 2.981 20 5 GFBDMM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540069756 564239210 /nfs/dbraw/zinc/23/92/10/564239210.db2.gz IYVNRUXALYYFDY-BONVTDFDSA-N -1 1 386.451 2.719 20 5 GFBDMM CCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000451958812 564371968 /nfs/dbraw/zinc/37/19/68/564371968.db2.gz MKLFFXYYQSTYOM-UHFFFAOYSA-N -1 1 379.316 2.643 20 5 GFBDMM O=C([O-])C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000548552888 564559394 /nfs/dbraw/zinc/55/93/94/564559394.db2.gz FVJJGQPRZUOCTI-UHFFFAOYSA-N -1 1 397.236 2.825 20 5 GFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525703118 564706373 /nfs/dbraw/zinc/70/63/73/564706373.db2.gz NQVPCCMXZSTHAA-IINYFYTJSA-N -1 1 385.829 2.698 20 5 GFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525703119 564706543 /nfs/dbraw/zinc/70/65/43/564706543.db2.gz NQVPCCMXZSTHAA-QMTHXVAHSA-N -1 1 385.829 2.698 20 5 GFBDMM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766753 564720151 /nfs/dbraw/zinc/72/01/51/564720151.db2.gz XRWLZKSFBJKPPB-MWLCHTKSSA-N -1 1 393.259 2.593 20 5 GFBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CC ZINC000462573803 564849472 /nfs/dbraw/zinc/84/94/72/564849472.db2.gz BDAOUERSMORSEM-TVQRCGJNSA-N -1 1 378.834 2.504 20 5 GFBDMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000532398885 564936758 /nfs/dbraw/zinc/93/67/58/564936758.db2.gz DDGHWMKJCFSMET-UHFFFAOYSA-N -1 1 389.169 2.790 20 5 GFBDMM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533635429 564969123 /nfs/dbraw/zinc/96/91/23/564969123.db2.gz DAMRBANSTMQEEP-ZDUSSCGKSA-N -1 1 386.861 2.764 20 5 GFBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468828686 564995355 /nfs/dbraw/zinc/99/53/55/564995355.db2.gz DJVLAPIETFVRLN-UHFFFAOYSA-N -1 1 388.199 2.567 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000588138996 565128156 /nfs/dbraw/zinc/12/81/56/565128156.db2.gz JGCMQJUIUOSRRZ-UHFFFAOYSA-N -1 1 381.223 2.918 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CC1 ZINC000610261290 566072573 /nfs/dbraw/zinc/07/25/73/566072573.db2.gz HWTVOQMVXDRKSQ-UHFFFAOYSA-N -1 1 398.238 2.720 20 5 GFBDMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738110477 598847488 /nfs/dbraw/zinc/84/74/88/598847488.db2.gz DDYPAYSYGBUOBU-UHFFFAOYSA-N -1 1 395.404 2.762 20 5 GFBDMM COc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000573734311 600292073 /nfs/dbraw/zinc/29/20/73/600292073.db2.gz WCGVGBRQHSZDIU-LLVKDONJSA-N -1 1 386.351 2.892 20 5 GFBDMM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727405 600692204 /nfs/dbraw/zinc/69/22/04/600692204.db2.gz JKXFCMNBPMXOPX-IINYFYTJSA-N -1 1 375.406 2.811 20 5 GFBDMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598661589 601091998 /nfs/dbraw/zinc/09/19/98/601091998.db2.gz JDEYSXJZGQNGOI-WBMJQRKESA-N -1 1 386.408 2.967 20 5 GFBDMM Cc1nn(-c2ccccc2)c(COc2ncc(C)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822399784 606020977 /nfs/dbraw/zinc/02/09/77/606020977.db2.gz MZJPFDJWACDLRR-UHFFFAOYSA-N -1 1 392.379 2.551 20 5 GFBDMM COc1cc(C)c([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821707571 606697893 /nfs/dbraw/zinc/69/78/93/606697893.db2.gz BEJONFLHGYOMBH-JTQLQIEISA-N -1 1 385.384 2.669 20 5 GFBDMM COc1cc(C)c([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821707571 606697896 /nfs/dbraw/zinc/69/78/96/606697896.db2.gz BEJONFLHGYOMBH-JTQLQIEISA-N -1 1 385.384 2.669 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(Oc2ccccc2)c1 ZINC000823624770 606698986 /nfs/dbraw/zinc/69/89/86/606698986.db2.gz IXCJXOFVUZTYPJ-UHFFFAOYSA-N -1 1 390.363 2.969 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(Oc2ccccc2)c1 ZINC000823624770 606698987 /nfs/dbraw/zinc/69/89/87/606698987.db2.gz IXCJXOFVUZTYPJ-UHFFFAOYSA-N -1 1 390.363 2.969 20 5 GFBDMM Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000822604630 606700158 /nfs/dbraw/zinc/70/01/58/606700158.db2.gz IPYRBFKMWUUBCA-UHFFFAOYSA-N -1 1 388.800 2.861 20 5 GFBDMM Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000822604630 606700159 /nfs/dbraw/zinc/70/01/59/606700159.db2.gz IPYRBFKMWUUBCA-UHFFFAOYSA-N -1 1 388.800 2.861 20 5 GFBDMM CCOc1cc(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC ZINC000821395367 606710434 /nfs/dbraw/zinc/71/04/34/606710434.db2.gz XJMMJUDFJFYYDU-UHFFFAOYSA-N -1 1 399.411 2.622 20 5 GFBDMM CCOc1cc(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC ZINC000821395367 606710436 /nfs/dbraw/zinc/71/04/36/606710436.db2.gz XJMMJUDFJFYYDU-UHFFFAOYSA-N -1 1 399.411 2.622 20 5 GFBDMM CC(C)(C)OC(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000824114295 608585101 /nfs/dbraw/zinc/58/51/01/608585101.db2.gz NKZOWDJUNCIZFX-UHFFFAOYSA-N -1 1 397.395 2.737 20 5 GFBDMM CC(C)(C)OC(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000824114295 608585102 /nfs/dbraw/zinc/58/51/02/608585102.db2.gz NKZOWDJUNCIZFX-UHFFFAOYSA-N -1 1 397.395 2.737 20 5 GFBDMM O=[N+]([O-])c1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826497375 609278206 /nfs/dbraw/zinc/27/82/06/609278206.db2.gz FJEFDPMTFUDXJC-UHFFFAOYSA-N -1 1 386.372 2.773 20 5 GFBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000826271295 609563815 /nfs/dbraw/zinc/56/38/15/609563815.db2.gz LTWFMIWNRDRPHS-LBPRGKRZSA-N -1 1 395.427 2.996 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC(F)F ZINC000827882709 660521512 /nfs/dbraw/zinc/52/15/12/660521512.db2.gz YKWQCEKHQWGELC-SSDOTTSWSA-N -1 1 387.202 2.927 20 5 GFBDMM CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000830824340 660682394 /nfs/dbraw/zinc/68/23/94/660682394.db2.gz VNUPNTUOLOCDRA-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)c1Cl ZINC000830991408 660689588 /nfs/dbraw/zinc/68/95/88/660689588.db2.gz VOUCILCUTLXJCW-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832033869 660748407 /nfs/dbraw/zinc/74/84/07/660748407.db2.gz CPOQNLBYSPIONL-XCBNKYQSSA-N -1 1 397.236 2.522 20 5 GFBDMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)o1 ZINC000121899978 654725039 /nfs/dbraw/zinc/72/50/39/654725039.db2.gz FXPPAEDJTBKPOA-HNNXBMFYSA-N -1 1 388.829 2.644 20 5 GFBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000596027584 655513769 /nfs/dbraw/zinc/51/37/69/655513769.db2.gz SAOZEYXISHIUQM-SECBINFHSA-N -1 1 397.236 2.681 20 5 GFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000736344103 655662493 /nfs/dbraw/zinc/66/24/93/655662493.db2.gz AZGVOFDCCBLEKD-NSHDSACASA-N -1 1 395.275 2.841 20 5 GFBDMM NC(=O)c1ccc(COC(=O)c2ccc(Br)c([O-])c2)c([N+](=O)[O-])c1 ZINC000750549627 655814964 /nfs/dbraw/zinc/81/49/64/655814964.db2.gz DUHBJJONRODGMD-UHFFFAOYSA-N -1 1 395.165 2.519 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000751372356 655825780 /nfs/dbraw/zinc/82/57/80/655825780.db2.gz NPCAXGMPPFHTJU-ZDUSSCGKSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751401433 655826394 /nfs/dbraw/zinc/82/63/94/655826394.db2.gz AGEORPPNHWOHAK-FZMZJTMJSA-N -1 1 384.841 2.691 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762524567 656046011 /nfs/dbraw/zinc/04/60/11/656046011.db2.gz HYLVFDLUGABQAK-YUSALJHKSA-N -1 1 394.927 2.906 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000765137147 656133410 /nfs/dbraw/zinc/13/34/10/656133410.db2.gz QMVKDXJPARPKIM-UHFFFAOYSA-N -1 1 385.814 2.558 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000767585685 656210317 /nfs/dbraw/zinc/21/03/17/656210317.db2.gz LFQIQNPKOMMNQA-CYBMUJFWSA-N -1 1 382.825 2.790 20 5 GFBDMM O=C(NCCc1ccc(Br)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770459875 656319863 /nfs/dbraw/zinc/31/98/63/656319863.db2.gz DIRPLEUSFCMXJM-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785402797 657361661 /nfs/dbraw/zinc/36/16/61/657361661.db2.gz QYWHJOICACGFQQ-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795846014 658857613 /nfs/dbraw/zinc/85/76/13/658857613.db2.gz YMMYUPYROZTBHT-ZCFIWIBFSA-N -1 1 387.252 2.526 20 5 GFBDMM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796104711 658892443 /nfs/dbraw/zinc/89/24/43/658892443.db2.gz QHSHSRHVVBSTIF-ABAIWWIYSA-N -1 1 384.841 2.957 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)cc1Cl ZINC000798227603 659086878 /nfs/dbraw/zinc/08/68/78/659086878.db2.gz VMFNEJWMRKDBFZ-UHFFFAOYSA-N -1 1 394.852 2.999 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)cc1Cl ZINC000809819950 659942587 /nfs/dbraw/zinc/94/25/87/659942587.db2.gz IQUWPWRPWSWURO-JTQLQIEISA-N -1 1 394.833 2.851 20 5 GFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809821691 659943238 /nfs/dbraw/zinc/94/32/38/659943238.db2.gz QALUVKQQSAVPED-UHFFFAOYSA-N -1 1 379.822 2.939 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC[C@H]1O ZINC000809823190 659943769 /nfs/dbraw/zinc/94/37/69/659943769.db2.gz IQXGGBXGQDUMOK-ZIAGYGMSSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CSCCS2)cc1Cl ZINC000809824491 659944256 /nfs/dbraw/zinc/94/42/56/659944256.db2.gz BPGNZGWACRFPNP-SSDOTTSWSA-N -1 1 386.879 2.514 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000809831328 659946411 /nfs/dbraw/zinc/94/64/11/659946411.db2.gz CNADWJNTRQOUIV-GJZGRUSLSA-N -1 1 392.836 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c(Cl)cc1Cl ZINC000809832452 659946875 /nfs/dbraw/zinc/94/68/75/659946875.db2.gz QLHGMAMUHAONHS-SNVBAGLBSA-N -1 1 395.220 2.897 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000815008609 660100837 /nfs/dbraw/zinc/10/08/37/660100837.db2.gz ZHLCFXQXELQLGF-UHFFFAOYSA-N -1 1 386.788 2.801 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000815018190 660102108 /nfs/dbraw/zinc/10/21/08/660102108.db2.gz IYBOMOPEMPKZEP-GFWSLJDESA-N -1 1 392.836 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000841565852 661303683 /nfs/dbraw/zinc/30/36/83/661303683.db2.gz AUBVBRGMFRTIOT-UHFFFAOYSA-N -1 1 392.821 2.595 20 5 GFBDMM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856917 661839503 /nfs/dbraw/zinc/83/95/03/661839503.db2.gz IRBHDRPZDVCZHA-IAQYHMDHSA-N -1 1 384.841 2.691 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000859256628 662148243 /nfs/dbraw/zinc/14/82/43/662148243.db2.gz KKWDYVNHRHNLRH-AWEZNQCLSA-N -1 1 382.825 2.668 20 5 GFBDMM O=C([O-])[C@]12CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]1COCC2 ZINC000901950553 663752059 /nfs/dbraw/zinc/75/20/59/663752059.db2.gz YRBZVJRDSAOMDJ-ZUZCIYMTSA-N -1 1 375.208 2.825 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)s1 ZINC000066333604 551186254 /nfs/dbraw/zinc/18/62/54/551186254.db2.gz PAFFHYBXCVZIOS-UHFFFAOYSA-N -1 1 383.451 2.851 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000066333806 551186381 /nfs/dbraw/zinc/18/63/81/551186381.db2.gz UOJRRNNKZLRHFC-WFASDCNBSA-N -1 1 386.426 2.994 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127795056 551345068 /nfs/dbraw/zinc/34/50/68/551345068.db2.gz VZVNLBZVVPGSKA-FZMZJTMJSA-N -1 1 376.862 2.858 20 5 GFBDMM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000129361368 551356315 /nfs/dbraw/zinc/35/63/15/551356315.db2.gz XOHGQFBXWIYMGV-ZDUSSCGKSA-N -1 1 384.479 2.737 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157892766 551544294 /nfs/dbraw/zinc/54/42/94/551544294.db2.gz DKUOOOWRBAAZJU-CMPLNLGQSA-N -1 1 393.259 2.593 20 5 GFBDMM Cn1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc21 ZINC000185206839 552356965 /nfs/dbraw/zinc/35/69/65/552356965.db2.gz IJEZAAJRYCPKQR-UHFFFAOYSA-N -1 1 383.426 2.808 20 5 GFBDMM COc1cc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc(Br)c1[O-] ZINC000350781061 563676880 /nfs/dbraw/zinc/67/68/80/563676880.db2.gz YNPSJVRCEFPNLU-UHFFFAOYSA-N -1 1 396.157 2.522 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1Br ZINC000414467236 563741972 /nfs/dbraw/zinc/74/19/72/563741972.db2.gz DBTDCESMJLTRMI-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1Br ZINC000414467236 563741975 /nfs/dbraw/zinc/74/19/75/563741975.db2.gz DBTDCESMJLTRMI-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM COC1CCC([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000416547234 563846440 /nfs/dbraw/zinc/84/64/40/563846440.db2.gz VDXSXWWFGSEUNM-UHFFFAOYSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451858612 564359618 /nfs/dbraw/zinc/35/96/18/564359618.db2.gz RXNXDDMBRVQFAZ-BXUZGUMPSA-N -1 1 378.878 2.816 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1Br ZINC000546907859 564473074 /nfs/dbraw/zinc/47/30/74/564473074.db2.gz JZFMZCTZTIXGRO-UHFFFAOYSA-N -1 1 378.186 2.798 20 5 GFBDMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379051 564477775 /nfs/dbraw/zinc/47/77/75/564477775.db2.gz FVRPAYXDBWKJFE-GXSJLCMTSA-N -1 1 378.834 2.504 20 5 GFBDMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000520038199 564595751 /nfs/dbraw/zinc/59/57/51/564595751.db2.gz OUGDQWZWYRUYID-VIFPVBQESA-N -1 1 380.198 2.819 20 5 GFBDMM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582285562 564838995 /nfs/dbraw/zinc/83/89/95/564838995.db2.gz NDVZHNASDMWETR-MRVPVSSYSA-N -1 1 385.225 2.823 20 5 GFBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464360749 564904859 /nfs/dbraw/zinc/90/48/59/564904859.db2.gz GEXBHZNCCQTUDB-LURJTMIESA-N -1 1 391.165 2.977 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2csc3ccccc23)c([N+](=O)[O-])n1 ZINC000533631268 564968736 /nfs/dbraw/zinc/96/87/36/564968736.db2.gz IXHZKCJATAKSMB-UHFFFAOYSA-N -1 1 380.451 2.547 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000609030166 566029206 /nfs/dbraw/zinc/02/92/06/566029206.db2.gz KCLQDSSSLUGEIT-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738259567 598999549 /nfs/dbraw/zinc/99/95/49/598999549.db2.gz RMMTUCOFSWAWJO-UHFFFAOYSA-N -1 1 399.798 2.880 20 5 GFBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738259567 598999551 /nfs/dbraw/zinc/99/95/51/598999551.db2.gz RMMTUCOFSWAWJO-UHFFFAOYSA-N -1 1 399.798 2.880 20 5 GFBDMM O=[N+]([O-])c1c(N[C@H]2CCSC2)cc(N[C@H]2CCSC2)cc1-c1nnn[n-]1 ZINC000823630262 599078236 /nfs/dbraw/zinc/07/82/36/599078236.db2.gz USGDMQUMGCLCPS-UWVGGRQHSA-N -1 1 393.498 2.610 20 5 GFBDMM O=[N+]([O-])c1c(N[C@H]2CCSC2)cc(N[C@H]2CCSC2)cc1-c1nn[n-]n1 ZINC000823630262 599078239 /nfs/dbraw/zinc/07/82/39/599078239.db2.gz USGDMQUMGCLCPS-UWVGGRQHSA-N -1 1 393.498 2.610 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC000738372995 599159877 /nfs/dbraw/zinc/15/98/77/599159877.db2.gz ZCULUVAQCKLXRI-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM O=[N+]([O-])c1cc(NCCc2nc(C(F)(F)F)cs2)ccc1-c1nn[n-]n1 ZINC000823634156 607348579 /nfs/dbraw/zinc/34/85/79/607348579.db2.gz BGCUFRZANMILRW-UHFFFAOYSA-N -1 1 385.331 2.905 20 5 GFBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1Cl ZINC000822326815 599689974 /nfs/dbraw/zinc/68/99/74/599689974.db2.gz AXCYRMIOMKJTPN-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM Cc1ccc2nc(CNc3ccc(C(=O)N[C@H](C)C(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832959697 600804803 /nfs/dbraw/zinc/80/48/03/600804803.db2.gz XXSDVUZBKGLIBG-LLVKDONJSA-N -1 1 397.391 2.595 20 5 GFBDMM Cc1cc(N2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891008 602317286 /nfs/dbraw/zinc/31/72/86/602317286.db2.gz HMXUUVXVAZSJFB-DNVCBOLYSA-N -1 1 399.447 2.846 20 5 GFBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)[O-] ZINC000739871080 603420625 /nfs/dbraw/zinc/42/06/25/603420625.db2.gz ZWXQNCYDDGTCDW-UHFFFAOYSA-N -1 1 381.366 2.803 20 5 GFBDMM CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833487306 605018364 /nfs/dbraw/zinc/01/83/64/605018364.db2.gz IMEOHHLQPHNFHX-UHFFFAOYSA-N -1 1 395.481 2.575 20 5 GFBDMM CCOc1cc(Cl)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825615968 607735884 /nfs/dbraw/zinc/73/58/84/607735884.db2.gz RCLNBKVWPUAJDN-UHFFFAOYSA-N -1 1 375.776 2.834 20 5 GFBDMM CCOc1cc(Cl)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825615968 607735885 /nfs/dbraw/zinc/73/58/85/607735885.db2.gz RCLNBKVWPUAJDN-UHFFFAOYSA-N -1 1 375.776 2.834 20 5 GFBDMM CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H]1C ZINC000833658035 605174440 /nfs/dbraw/zinc/17/44/40/605174440.db2.gz QEIAHGBTPRCPET-CHWSQXEVSA-N -1 1 395.481 2.716 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000824453606 605374483 /nfs/dbraw/zinc/37/44/83/605374483.db2.gz PXOYUZXSLMACPD-NWDGAFQWSA-N -1 1 379.417 2.578 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1csc(Br)c1 ZINC000823624583 606698918 /nfs/dbraw/zinc/69/89/18/606698918.db2.gz DMBUBWWULPBYKE-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1csc(Br)c1 ZINC000823624583 606698921 /nfs/dbraw/zinc/69/89/21/606698921.db2.gz DMBUBWWULPBYKE-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OCC(F)(F)F ZINC000823624569 606702012 /nfs/dbraw/zinc/70/20/12/606702012.db2.gz CTYOIPUUSQCLDG-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1OCC(F)(F)F ZINC000823624569 606702013 /nfs/dbraw/zinc/70/20/13/606702013.db2.gz CTYOIPUUSQCLDG-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM Cc1ccc(N2CCC[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000822242678 606714314 /nfs/dbraw/zinc/71/43/14/606714314.db2.gz UHTYMMIXAVEORY-ZDUSSCGKSA-N -1 1 380.412 2.559 20 5 GFBDMM Cc1ccc(N2CCC[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822242678 606714315 /nfs/dbraw/zinc/71/43/15/606714315.db2.gz UHTYMMIXAVEORY-ZDUSSCGKSA-N -1 1 380.412 2.559 20 5 GFBDMM CN(Cc1cccc(OC(F)(F)F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821614540 606721244 /nfs/dbraw/zinc/72/12/44/606721244.db2.gz KDFCWHDJRBDBLC-UHFFFAOYSA-N -1 1 395.301 2.705 20 5 GFBDMM CN(Cc1cccc(OC(F)(F)F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821614540 606721246 /nfs/dbraw/zinc/72/12/46/606721246.db2.gz KDFCWHDJRBDBLC-UHFFFAOYSA-N -1 1 395.301 2.705 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826272549 607866945 /nfs/dbraw/zinc/86/69/45/607866945.db2.gz PFYXUSYTUNGLJX-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826272549 607866946 /nfs/dbraw/zinc/86/69/46/607866946.db2.gz PFYXUSYTUNGLJX-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000830316980 660648361 /nfs/dbraw/zinc/64/83/61/660648361.db2.gz CTUCYCPEDRPPGM-GFCCVEGCSA-N -1 1 385.225 2.522 20 5 GFBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830827186 660682367 /nfs/dbraw/zinc/68/23/67/660682367.db2.gz KSCODSOFQSDTTL-SECBINFHSA-N -1 1 397.236 2.522 20 5 GFBDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830940447 660687826 /nfs/dbraw/zinc/68/78/26/660687826.db2.gz RXUOUSYTEWZWAY-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c1Cl ZINC000831596689 660714226 /nfs/dbraw/zinc/71/42/26/660714226.db2.gz AMNPYWVWDALBGC-JTQLQIEISA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000831777679 660726284 /nfs/dbraw/zinc/72/62/84/660726284.db2.gz CQJLZCMDLZJMRJ-SECBINFHSA-N -1 1 390.767 2.884 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](O)C(F)F ZINC000831896745 660734447 /nfs/dbraw/zinc/73/44/47/660734447.db2.gz WVWJYXNFBCECHS-XVKPBYJWSA-N -1 1 393.195 2.585 20 5 GFBDMM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000832179699 660760800 /nfs/dbraw/zinc/76/08/00/660760800.db2.gz CPYOLTBGWZVHKB-SMDDNHRTSA-N -1 1 376.862 2.978 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCS1 ZINC000126238840 654810964 /nfs/dbraw/zinc/81/09/64/654810964.db2.gz YTPOSNBUCHOVSB-GFCCVEGCSA-N -1 1 395.300 2.921 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129177813 654859093 /nfs/dbraw/zinc/85/90/93/654859093.db2.gz PWRWHKHYKXQVOU-XHDPSFHLSA-N -1 1 384.841 2.519 20 5 GFBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000135970818 655025993 /nfs/dbraw/zinc/02/59/93/655025993.db2.gz PDOBEICUWUTONG-UHFFFAOYSA-N -1 1 387.776 2.548 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000118977974 655285498 /nfs/dbraw/zinc/28/54/98/655285498.db2.gz PPGQRKDCNPHURH-JTQLQIEISA-N -1 1 397.261 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000118977878 655285619 /nfs/dbraw/zinc/28/56/19/655285619.db2.gz PPGQRKDCNPHURH-SNVBAGLBSA-N -1 1 397.261 2.975 20 5 GFBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257180 655379968 /nfs/dbraw/zinc/37/99/68/655379968.db2.gz YGHCLKDISROTFR-CBAPKCEASA-N -1 1 381.273 2.530 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1Br ZINC000739384474 655693519 /nfs/dbraw/zinc/69/35/19/655693519.db2.gz GRXSDONGMWGROJ-UHFFFAOYSA-N -1 1 397.210 2.806 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000742346553 655717049 /nfs/dbraw/zinc/71/70/49/655717049.db2.gz NDMQAIZVERYVSB-UHFFFAOYSA-N -1 1 377.138 2.588 20 5 GFBDMM CCSc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000755243946 655881393 /nfs/dbraw/zinc/88/13/93/655881393.db2.gz VSAABMWUPRHGRN-UHFFFAOYSA-N -1 1 384.464 2.607 20 5 GFBDMM Cn1cc(-c2ccccc2C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768865164 656257276 /nfs/dbraw/zinc/25/72/76/656257276.db2.gz ISVJRTMCFHILPN-UHFFFAOYSA-N -1 1 378.435 2.535 20 5 GFBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000795240429 658738167 /nfs/dbraw/zinc/73/81/67/658738167.db2.gz CJXSQNYZDQKWIE-JTQLQIEISA-N -1 1 378.834 2.647 20 5 GFBDMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccc21 ZINC000798227353 659086667 /nfs/dbraw/zinc/08/66/67/659086667.db2.gz OEXWSYMVWIPFJW-LBPRGKRZSA-N -1 1 384.772 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl ZINC000809826613 659944621 /nfs/dbraw/zinc/94/46/21/659944621.db2.gz LCQZLJRSMAQYKE-DYLAAIIWSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000815047137 660106916 /nfs/dbraw/zinc/10/69/16/660106916.db2.gz KKXVRLLXHMUSRM-VFZGTOFNSA-N -1 1 388.804 2.788 20 5 GFBDMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815055947 660107858 /nfs/dbraw/zinc/10/78/58/660107858.db2.gz UUQCKAUMIXSFQD-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815063113 660108500 /nfs/dbraw/zinc/10/85/00/660108500.db2.gz WARXDXPJMWMZBI-CQSZACIVSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)cc1Cl ZINC000815075399 660109612 /nfs/dbraw/zinc/10/96/12/660109612.db2.gz YZFCYWDPTUSIOP-LLVKDONJSA-N -1 1 394.852 2.854 20 5 GFBDMM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000841559872 661300988 /nfs/dbraw/zinc/30/09/88/661300988.db2.gz IQMSMMRIXBOQQK-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c(Cl)cc1Cl ZINC000849443621 661725921 /nfs/dbraw/zinc/72/59/21/661725921.db2.gz HHVDOCKNJCGQHD-JTQLQIEISA-N -1 1 391.179 2.604 20 5 GFBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])O1 ZINC000849460415 661729742 /nfs/dbraw/zinc/72/97/42/661729742.db2.gz JVJYTOSUIABFER-MWLCHTKSSA-N -1 1 393.259 2.593 20 5 GFBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])O1 ZINC000849460413 661729828 /nfs/dbraw/zinc/72/98/28/661729828.db2.gz JVJYTOSUIABFER-GXSJLCMTSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000859367324 662156781 /nfs/dbraw/zinc/15/67/81/662156781.db2.gz CHMWHBUHGBKSCY-KCJUWKMLSA-N -1 1 381.237 2.747 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000066327393 551186216 /nfs/dbraw/zinc/18/62/16/551186216.db2.gz DERDDXCOPJLMNS-GFCCVEGCSA-N -1 1 389.886 2.891 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000171424159 551654981 /nfs/dbraw/zinc/65/49/81/551654981.db2.gz QKAGXWHHBCPFOH-NSHDSACASA-N -1 1 399.222 2.769 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000194013780 553009976 /nfs/dbraw/zinc/00/99/76/553009976.db2.gz PVEVFQVXBBYSJP-UHFFFAOYSA-N -1 1 381.273 2.531 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H](CO)c2ccccc21 ZINC000372726207 563315403 /nfs/dbraw/zinc/31/54/03/563315403.db2.gz MMGGZJIBRZFOII-HZMBPMFUSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1Br ZINC000414470527 563742748 /nfs/dbraw/zinc/74/27/48/563742748.db2.gz MMGJHAQBKJFUHS-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000445001725 563841127 /nfs/dbraw/zinc/84/11/27/563841127.db2.gz WCUOHLZBRBAJJY-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412179 563870134 /nfs/dbraw/zinc/87/01/34/563870134.db2.gz LERKUYOLIINAEF-NSHDSACASA-N -1 1 395.213 2.737 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000451590539 564329316 /nfs/dbraw/zinc/32/93/16/564329316.db2.gz YSLYWDRKBYFMTH-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)s1 ZINC000512774558 564410422 /nfs/dbraw/zinc/41/04/22/564410422.db2.gz GEMSCWGYBUUTDO-UHFFFAOYSA-N -1 1 384.479 2.974 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480856601 564491765 /nfs/dbraw/zinc/49/17/65/564491765.db2.gz MVOHAEISOFEHAY-JTQLQIEISA-N -1 1 383.813 2.554 20 5 GFBDMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000467077738 564955403 /nfs/dbraw/zinc/95/54/03/564955403.db2.gz DIJWNXNFJFALRJ-ZETCQYMHSA-N -1 1 377.469 2.607 20 5 GFBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000533638618 564969590 /nfs/dbraw/zinc/96/95/90/564969590.db2.gz ZLMRWEIQBGPICB-NSHDSACASA-N -1 1 384.483 2.963 20 5 GFBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000588144369 565128737 /nfs/dbraw/zinc/12/87/37/565128737.db2.gz GPHQYYFUIJDMAP-SNVBAGLBSA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)s1 ZINC000592069792 565252637 /nfs/dbraw/zinc/25/26/37/565252637.db2.gz ZXMQYQWHVSUKRK-SNVBAGLBSA-N -1 1 386.476 2.878 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000618180371 565276973 /nfs/dbraw/zinc/27/69/73/565276973.db2.gz YLPISSBZTQOKFW-LBPRGKRZSA-N -1 1 382.825 2.790 20 5 GFBDMM CC(C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000609740426 566051138 /nfs/dbraw/zinc/05/11/38/566051138.db2.gz IKDWGAJVSQVJIG-UHFFFAOYSA-N -1 1 384.435 2.641 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000612141926 566153810 /nfs/dbraw/zinc/15/38/10/566153810.db2.gz XOXIEPBIGCWYKD-SNVBAGLBSA-N -1 1 395.300 2.921 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000613011391 566182393 /nfs/dbraw/zinc/18/23/93/566182393.db2.gz WSLYARZSOLJZAB-UHFFFAOYSA-N -1 1 397.250 2.803 20 5 GFBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738209898 598981297 /nfs/dbraw/zinc/98/12/97/598981297.db2.gz JDPUEAFFRBXRQH-UHFFFAOYSA-N -1 1 394.376 2.546 20 5 GFBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738209898 598981299 /nfs/dbraw/zinc/98/12/99/598981299.db2.gz JDPUEAFFRBXRQH-UHFFFAOYSA-N -1 1 394.376 2.546 20 5 GFBDMM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826303794 607599287 /nfs/dbraw/zinc/59/92/87/607599287.db2.gz FQMGTUFDBXBMMY-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825894709 603560643 /nfs/dbraw/zinc/56/06/43/603560643.db2.gz JFWHMVLPFTWHCS-XIKOKIGWSA-N -1 1 389.412 2.951 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]21 ZINC000834180689 605452198 /nfs/dbraw/zinc/45/21/98/605452198.db2.gz KURZYTQMQAVGDI-AEGPPILISA-N -1 1 387.396 2.513 20 5 GFBDMM COc1ccc(-n2ccc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)n2)cc1 ZINC000821769902 606645544 /nfs/dbraw/zinc/64/55/44/606645544.db2.gz LVGLSWMDWKHQES-UHFFFAOYSA-N -1 1 392.379 2.581 20 5 GFBDMM CC[C@@H](C)C(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820864242 606699569 /nfs/dbraw/zinc/69/95/69/606699569.db2.gz XTNYOSWGVGPVNX-LLVKDONJSA-N -1 1 396.411 2.767 20 5 GFBDMM CC[C@@H](C)C(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820864242 606699570 /nfs/dbraw/zinc/69/95/70/606699570.db2.gz XTNYOSWGVGPVNX-LLVKDONJSA-N -1 1 396.411 2.767 20 5 GFBDMM CCCCC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821050901 607144081 /nfs/dbraw/zinc/14/40/81/607144081.db2.gz VLOSKEDOHACUOB-GFCCVEGCSA-N -1 1 394.457 2.508 20 5 GFBDMM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1sccc1-c1nn[n-]n1 ZINC000826467858 608029470 /nfs/dbraw/zinc/02/94/70/608029470.db2.gz OXZAKHSDRFJLID-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSCc1ccnc(Cl)c1 ZINC000826497524 609489453 /nfs/dbraw/zinc/48/94/53/609489453.db2.gz JXNZSJNKCOKQCQ-UHFFFAOYSA-N -1 1 392.832 2.564 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCSCc1ccnc(Cl)c1 ZINC000826497524 609489454 /nfs/dbraw/zinc/48/94/54/609489454.db2.gz JXNZSJNKCOKQCQ-UHFFFAOYSA-N -1 1 392.832 2.564 20 5 GFBDMM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]n1 ZINC000830578857 660665107 /nfs/dbraw/zinc/66/51/07/660665107.db2.gz JUSYBCGYCKZFRW-UHFFFAOYSA-N -1 1 379.225 2.666 20 5 GFBDMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832041193 660748633 /nfs/dbraw/zinc/74/86/33/660748633.db2.gz PERSHEGZOOPIDO-APPZFPTMSA-N -1 1 397.236 2.522 20 5 GFBDMM O=C(Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])[n-]1 ZINC000127938439 654837949 /nfs/dbraw/zinc/83/79/49/654837949.db2.gz NGJPJQYKYNZMEV-UHFFFAOYSA-N -1 1 375.097 2.919 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129171871 654858887 /nfs/dbraw/zinc/85/88/87/654858887.db2.gz MCXFDARSJXVDHK-IAQYHMDHSA-N -1 1 384.841 2.519 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Br)c1 ZINC000269446629 655009713 /nfs/dbraw/zinc/00/97/13/655009713.db2.gz AUBSRMOMNARZMF-UHFFFAOYSA-N -1 1 391.165 2.978 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000106894498 655113699 /nfs/dbraw/zinc/11/36/99/655113699.db2.gz UKYUUKMDJRSPLN-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000265723452 655489310 /nfs/dbraw/zinc/48/93/10/655489310.db2.gz NYAIJBPVUXQEIU-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000732570103 655598003 /nfs/dbraw/zinc/59/80/03/655598003.db2.gz ALXQEXMKLBXUMG-UHFFFAOYSA-N -1 1 380.813 2.576 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000753953580 655861297 /nfs/dbraw/zinc/86/12/97/655861297.db2.gz LCWDFDHARSBYIS-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000760919437 655994695 /nfs/dbraw/zinc/99/46/95/655994695.db2.gz DEUJWFXSKNSYDD-ZDUSSCGKSA-N -1 1 386.191 2.856 20 5 GFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774363370 656523630 /nfs/dbraw/zinc/52/36/30/656523630.db2.gz JZWDOCLJQLEVQD-UHFFFAOYSA-N -1 1 377.813 2.852 20 5 GFBDMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000790382717 657965209 /nfs/dbraw/zinc/96/52/09/657965209.db2.gz ZZARWRBIKVMLFT-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM COCCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795810260 658853920 /nfs/dbraw/zinc/85/39/20/658853920.db2.gz BEBXAZSRTKKTQX-UHFFFAOYSA-N -1 1 399.238 2.591 20 5 GFBDMM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809392960 659926335 /nfs/dbraw/zinc/92/63/35/659926335.db2.gz MRTIVEFJSFBYFM-QMMMGPOBSA-N -1 1 393.252 2.983 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000815032736 660104590 /nfs/dbraw/zinc/10/45/90/660104590.db2.gz MFFMCAFYSWBYSE-SSDOTTSWSA-N -1 1 379.822 2.926 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000815033593 660104838 /nfs/dbraw/zinc/10/48/38/660104838.db2.gz MSQPPUZYXZEFHE-GJZGRUSLSA-N -1 1 392.836 2.871 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](O)C(C)C ZINC000841561766 661301856 /nfs/dbraw/zinc/30/18/56/661301856.db2.gz QQFDLUKHAQZEBY-CABZTGNLSA-N -1 1 385.269 2.975 20 5 GFBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000841564494 661303052 /nfs/dbraw/zinc/30/30/52/661303052.db2.gz DXAGHLMMUWVQKN-SECBINFHSA-N -1 1 393.259 2.593 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Br)sc2C1 ZINC000130336616 551363079 /nfs/dbraw/zinc/36/30/79/551363079.db2.gz BLUZTNYDQWBENG-UHFFFAOYSA-N -1 1 384.211 2.718 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000139632584 551392834 /nfs/dbraw/zinc/39/28/34/551392834.db2.gz GRXDSBKCFKOYLJ-UHFFFAOYSA-N -1 1 386.769 2.786 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)s1 ZINC000173956771 552095738 /nfs/dbraw/zinc/09/57/38/552095738.db2.gz IFYDILXKWRHPNL-UHFFFAOYSA-N -1 1 386.426 2.780 20 5 GFBDMM Cc1c([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1C ZINC000295227028 563236955 /nfs/dbraw/zinc/23/69/55/563236955.db2.gz SCWGRJRUYHMYSQ-SSDOTTSWSA-N -1 1 393.252 2.983 20 5 GFBDMM CN(C)c1cc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000279259440 563289858 /nfs/dbraw/zinc/28/98/58/563289858.db2.gz UUHBYOHQAJPULJ-UHFFFAOYSA-N -1 1 379.295 2.923 20 5 GFBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(I)c([O-])c1 ZINC000545486238 564425527 /nfs/dbraw/zinc/42/55/27/564425527.db2.gz JHTBDTKOPXNTHR-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548540119 564557497 /nfs/dbraw/zinc/55/74/97/564557497.db2.gz AKPQRPFOZOVEGG-GWCFXTLKSA-N -1 1 397.236 2.823 20 5 GFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000518868139 564563515 /nfs/dbraw/zinc/56/35/15/564563515.db2.gz QQACYSBNZQTGOE-UHFFFAOYSA-N -1 1 381.182 2.872 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000484774728 564597838 /nfs/dbraw/zinc/59/78/38/564597838.db2.gz HFTKZQNTSQRTRV-SECBINFHSA-N -1 1 381.273 2.531 20 5 GFBDMM CC[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000575767630 564703758 /nfs/dbraw/zinc/70/37/58/564703758.db2.gz MKCNKDAUNJYCFX-ZETCQYMHSA-N -1 1 385.225 2.681 20 5 GFBDMM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766749 564720189 /nfs/dbraw/zinc/72/01/89/564720189.db2.gz XRWLZKSFBJKPPB-KOLCDFICSA-N -1 1 393.259 2.593 20 5 GFBDMM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000533006943 564951734 /nfs/dbraw/zinc/95/17/34/564951734.db2.gz ZMUBVXRJTKUETD-UHFFFAOYSA-N -1 1 379.316 2.643 20 5 GFBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(Br)c1F ZINC000469993711 565034583 /nfs/dbraw/zinc/03/45/83/565034583.db2.gz UQAOJUPUPQFYCW-UHFFFAOYSA-N -1 1 386.133 2.863 20 5 GFBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000616005767 565183174 /nfs/dbraw/zinc/18/31/74/565183174.db2.gz URHHIIWJONUKQK-JTQLQIEISA-N -1 1 381.273 2.530 20 5 GFBDMM C[C@@H]1C[C@H]1[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248570 565664963 /nfs/dbraw/zinc/66/49/63/565664963.db2.gz OHVWUXRYSWPZDS-IUPBHXKESA-N -1 1 384.845 2.657 20 5 GFBDMM O=[N+]([O-])c1ccc(OCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000823645991 599548481 /nfs/dbraw/zinc/54/84/81/599548481.db2.gz ZBLWPQBLSPXHBJ-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM O=[N+]([O-])c1ccc(OCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000823645991 599548482 /nfs/dbraw/zinc/54/84/82/599548482.db2.gz ZBLWPQBLSPXHBJ-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)c1C ZINC000826299243 607450724 /nfs/dbraw/zinc/45/07/24/607450724.db2.gz WYRWGAJOIIFKMZ-UHFFFAOYSA-N -1 1 379.424 2.718 20 5 GFBDMM Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)c1C ZINC000826299243 607450725 /nfs/dbraw/zinc/45/07/25/607450725.db2.gz WYRWGAJOIIFKMZ-UHFFFAOYSA-N -1 1 379.424 2.718 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cccn2)cc1-c1nnn[n-]1 ZINC000826498546 607450945 /nfs/dbraw/zinc/45/09/45/607450945.db2.gz ABCCDORSZLSTPB-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cccn2)cc1-c1nn[n-]n1 ZINC000826498546 607450947 /nfs/dbraw/zinc/45/09/47/607450947.db2.gz ABCCDORSZLSTPB-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000548597654 601225193 /nfs/dbraw/zinc/22/51/93/601225193.db2.gz OROPOWOVNHOLPO-YGRLFVJLSA-N -1 1 398.824 2.989 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832885925 602155576 /nfs/dbraw/zinc/15/55/76/602155576.db2.gz RCPQXZZXCOUIST-UHFFFAOYSA-N -1 1 377.787 2.512 20 5 GFBDMM O=[N+]([O-])c1cc(N2CC[C@H](COCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000826498013 607567635 /nfs/dbraw/zinc/56/76/35/607567635.db2.gz DANKWFXDWXIHCI-HNNXBMFYSA-N -1 1 380.408 2.818 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826498291 607567860 /nfs/dbraw/zinc/56/78/60/607567860.db2.gz OPNVDOWKMNZPLS-HNNXBMFYSA-N -1 1 380.408 2.818 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826498291 607567862 /nfs/dbraw/zinc/56/78/62/607567862.db2.gz OPNVDOWKMNZPLS-HNNXBMFYSA-N -1 1 380.408 2.818 20 5 GFBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833508430 605156987 /nfs/dbraw/zinc/15/69/87/605156987.db2.gz SYRHZEQREAZPND-ZDUSSCGKSA-N -1 1 395.481 2.716 20 5 GFBDMM O=C([O-])N1CCc2cccc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c21 ZINC000834123533 605607387 /nfs/dbraw/zinc/60/73/87/605607387.db2.gz SZDWWKTUDDYDSV-OAHLLOKOSA-N -1 1 383.408 2.717 20 5 GFBDMM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821426273 606138991 /nfs/dbraw/zinc/13/89/91/606138991.db2.gz AZLVKKNJGMWYBX-UHFFFAOYSA-N -1 1 375.366 2.592 20 5 GFBDMM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821426273 606138993 /nfs/dbraw/zinc/13/89/93/606138993.db2.gz AZLVKKNJGMWYBX-UHFFFAOYSA-N -1 1 375.366 2.592 20 5 GFBDMM O=[N+]([O-])c1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000823634979 606645220 /nfs/dbraw/zinc/64/52/20/606645220.db2.gz PDDFIMADFMFZBW-UHFFFAOYSA-N -1 1 376.380 2.615 20 5 GFBDMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596606 606704560 /nfs/dbraw/zinc/70/45/60/606704560.db2.gz PNWUCBDXDAAPEO-RHSMWYFYSA-N -1 1 395.423 2.774 20 5 GFBDMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596606 606704561 /nfs/dbraw/zinc/70/45/61/606704561.db2.gz PNWUCBDXDAAPEO-RHSMWYFYSA-N -1 1 395.423 2.774 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823620253 606710912 /nfs/dbraw/zinc/71/09/12/606710912.db2.gz JCABDIJEVHSFAO-NSHDSACASA-N -1 1 396.194 2.622 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823620253 606710913 /nfs/dbraw/zinc/71/09/13/606710913.db2.gz JCABDIJEVHSFAO-NSHDSACASA-N -1 1 396.194 2.622 20 5 GFBDMM CN(Cc1ccc(C(F)(F)F)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609912 607162374 /nfs/dbraw/zinc/16/23/74/607162374.db2.gz RCDYYJRAGGJDPA-UHFFFAOYSA-N -1 1 379.302 2.825 20 5 GFBDMM CN(Cc1ccc(C(F)(F)F)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821609912 607162375 /nfs/dbraw/zinc/16/23/75/607162375.db2.gz RCDYYJRAGGJDPA-UHFFFAOYSA-N -1 1 379.302 2.825 20 5 GFBDMM O=[N+]([O-])c1cccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826499603 609280214 /nfs/dbraw/zinc/28/02/14/609280214.db2.gz PEHDNCLDCWWRMV-UHFFFAOYSA-N -1 1 380.343 2.712 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC000830669176 660671414 /nfs/dbraw/zinc/67/14/14/660671414.db2.gz ZWBXONVLIKFURW-SSDOTTSWSA-N -1 1 379.225 2.675 20 5 GFBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831090553 660695107 /nfs/dbraw/zinc/69/51/07/660695107.db2.gz DSTYIFXIGIRZQF-JGVFFNPUSA-N -1 1 399.252 2.768 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)c1Cl ZINC000831740399 660724613 /nfs/dbraw/zinc/72/46/13/660724613.db2.gz WQQRAZOSGKNDPC-MRVPVSSYSA-N -1 1 377.209 2.521 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000025741597 654552821 /nfs/dbraw/zinc/55/28/21/654552821.db2.gz VKBIWWFJGAUYMH-UHFFFAOYSA-N -1 1 386.773 2.848 20 5 GFBDMM CCCc1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000126453732 654814255 /nfs/dbraw/zinc/81/42/55/654814255.db2.gz CSMWCQDHLLNQRH-UHFFFAOYSA-N -1 1 389.231 2.834 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1 ZINC000157832918 655102666 /nfs/dbraw/zinc/10/26/66/655102666.db2.gz SVZSQLIGVOMZEG-UHFFFAOYSA-N -1 1 379.463 2.949 20 5 GFBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000273644388 655152252 /nfs/dbraw/zinc/15/22/52/655152252.db2.gz VIMPJCXGKHRWQO-SSDOTTSWSA-N -1 1 376.847 2.756 20 5 GFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000275028863 655212149 /nfs/dbraw/zinc/21/21/49/655212149.db2.gz OSJBFJUTETWOQG-UHFFFAOYSA-N -1 1 380.304 2.512 20 5 GFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000554684873 655422683 /nfs/dbraw/zinc/42/26/83/655422683.db2.gz DEMSMKYSRMVVFY-UHFFFAOYSA-N -1 1 388.199 2.916 20 5 GFBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000749300973 655802919 /nfs/dbraw/zinc/80/29/19/655802919.db2.gz XAESHAOKDBJOBI-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751488853 655829854 /nfs/dbraw/zinc/82/98/54/655829854.db2.gz WUPZJHATVAESRG-XPTSAGLGSA-N -1 1 388.804 2.788 20 5 GFBDMM COC(=O)CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768835049 656254343 /nfs/dbraw/zinc/25/43/43/656254343.db2.gz MEDFNKYZSCPYBD-ZDUSSCGKSA-N -1 1 384.435 2.629 20 5 GFBDMM O=C(CSc1nnc(C(F)(F)F)s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000780357272 657000051 /nfs/dbraw/zinc/00/00/51/657000051.db2.gz PIMPBXMBGGEOAL-UHFFFAOYSA-N -1 1 392.340 2.514 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000795842012 658856978 /nfs/dbraw/zinc/85/69/78/658856978.db2.gz GQCSUBGZULASHD-QMMMGPOBSA-N -1 1 379.207 2.883 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2cccnc2)c(Cl)cc1Cl ZINC000798225114 659084669 /nfs/dbraw/zinc/08/46/69/659084669.db2.gz NRCUUJQYBVUXDH-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)Cc1ccccc1 ZINC000799829864 659233502 /nfs/dbraw/zinc/23/35/02/659233502.db2.gz ITFSLSMATHIANL-ZDUSSCGKSA-N -1 1 384.841 2.520 20 5 GFBDMM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000808319836 659888015 /nfs/dbraw/zinc/88/80/15/659888015.db2.gz AYXMTWBGNMMIFP-ZCFIWIBFSA-N -1 1 391.165 2.895 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(CO)c2)c1Cl ZINC000809393369 659926383 /nfs/dbraw/zinc/92/63/83/659926383.db2.gz CQCFZQGCFFKVJR-UHFFFAOYSA-N -1 1 391.232 2.872 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@H]21 ZINC000809820721 659942968 /nfs/dbraw/zinc/94/29/68/659942968.db2.gz AWJLRLDXKBPUGL-MCCGJVOXSA-N -1 1 392.836 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cl ZINC000809826615 659944699 /nfs/dbraw/zinc/94/46/99/659944699.db2.gz LCQZLJRSMAQYKE-RLCGTCKNSA-N -1 1 378.809 2.623 20 5 GFBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828040 659945352 /nfs/dbraw/zinc/94/53/52/659945352.db2.gz GQWYNWYZFPOCQX-QMMMGPOBSA-N -1 1 399.252 2.912 20 5 GFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OCC ZINC000809840001 659947885 /nfs/dbraw/zinc/94/78/85/659947885.db2.gz OKKICNWMMJWZEZ-VIFPVBQESA-N -1 1 396.824 2.645 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000815024874 660103314 /nfs/dbraw/zinc/10/33/14/660103314.db2.gz OIUNWBCAZYBIBK-SNVBAGLBSA-N -1 1 396.824 2.786 20 5 GFBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000842803629 661355483 /nfs/dbraw/zinc/35/54/83/661355483.db2.gz RIKKPASJCYDQOG-NSHDSACASA-N -1 1 381.248 2.770 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2SCCS2)cc1Cl ZINC000851844793 661838209 /nfs/dbraw/zinc/83/82/09/661838209.db2.gz BHRIZGXCJSOYLS-UHFFFAOYSA-N -1 1 386.879 2.862 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859341788 662154217 /nfs/dbraw/zinc/15/42/17/662154217.db2.gz SMJKUZKIJFRRCY-BSFVXNEUSA-N -1 1 383.253 2.992 20 5 GFBDMM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000129361555 551356623 /nfs/dbraw/zinc/35/66/23/551356623.db2.gz XOHGQFBXWIYMGV-CYBMUJFWSA-N -1 1 384.479 2.737 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3F)C2)s1 ZINC000134957237 551386802 /nfs/dbraw/zinc/38/68/02/551386802.db2.gz XEEPPUPNCKPSJB-LLVKDONJSA-N -1 1 385.442 2.743 20 5 GFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C ZINC000161545898 551596058 /nfs/dbraw/zinc/59/60/58/551596058.db2.gz ZZLUDBLIPWIETB-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cccc(Br)c2C1 ZINC000172449583 551679527 /nfs/dbraw/zinc/67/95/27/551679527.db2.gz XJQJIBPPVLSJHQ-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000180764288 552234851 /nfs/dbraw/zinc/23/48/51/552234851.db2.gz ZSKXCIVLHQMWOH-LLVKDONJSA-N -1 1 393.259 2.595 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000180764271 552235190 /nfs/dbraw/zinc/23/51/90/552235190.db2.gz ZSKXCIVLHQMWOH-NSHDSACASA-N -1 1 393.259 2.595 20 5 GFBDMM C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000250083874 553147362 /nfs/dbraw/zinc/14/73/62/553147362.db2.gz CTJSFABXMGITEP-VXGBXAGGSA-N -1 1 375.878 2.647 20 5 GFBDMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295802019 563263082 /nfs/dbraw/zinc/26/30/82/563263082.db2.gz BAXKAQUFXDETJI-RKDXNWHRSA-N -1 1 383.253 2.853 20 5 GFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1[O-] ZINC000303030047 563432482 /nfs/dbraw/zinc/43/24/82/563432482.db2.gz XAYWYXIQRAOPGR-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000327436480 563457835 /nfs/dbraw/zinc/45/78/35/563457835.db2.gz FTYOQEIYFYLHJM-ZDUSSCGKSA-N -1 1 392.861 2.893 20 5 GFBDMM Cc1nnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000289812203 563687253 /nfs/dbraw/zinc/68/72/53/563687253.db2.gz KENNGABCVDJHPG-UHFFFAOYSA-N -1 1 397.265 2.583 20 5 GFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC000566228992 564317835 /nfs/dbraw/zinc/31/78/35/564317835.db2.gz DQIWWWZAIPVUTM-DEOSSOPVSA-N -1 1 382.463 2.837 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000510964351 564351845 /nfs/dbraw/zinc/35/18/45/564351845.db2.gz CRNKOEQGYCVUBL-SSDOTTSWSA-N -1 1 377.756 2.961 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)s1 ZINC000452047209 564386627 /nfs/dbraw/zinc/38/66/27/564386627.db2.gz ZQPIJUWYFKOWDJ-UHFFFAOYSA-N -1 1 382.463 2.727 20 5 GFBDMM COc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000570577799 564513074 /nfs/dbraw/zinc/51/30/74/564513074.db2.gz OWFASPIXZFVNIF-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM O=C(NCCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000520479747 564605325 /nfs/dbraw/zinc/60/53/25/564605325.db2.gz RSYFLMWNQZZDBL-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573065307 564622005 /nfs/dbraw/zinc/62/20/05/564622005.db2.gz IAYSTRQXUHBIQZ-VXNVDRBHSA-N -1 1 397.236 2.681 20 5 GFBDMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525703117 564706645 /nfs/dbraw/zinc/70/66/45/564706645.db2.gz NQVPCCMXZSTHAA-HZMBPMFUSA-N -1 1 385.829 2.698 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000532614435 564941495 /nfs/dbraw/zinc/94/14/95/564941495.db2.gz INMCYYLQJKTWDE-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2Cl)CC1 ZINC000536555325 565040921 /nfs/dbraw/zinc/04/09/21/565040921.db2.gz UGKNDWLNMCKKBF-UHFFFAOYSA-N -1 1 385.804 2.792 20 5 GFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594819746 565425029 /nfs/dbraw/zinc/42/50/29/565425029.db2.gz VXNVXUXBIWXCRX-CYBMUJFWSA-N -1 1 382.360 2.763 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608908938 566026569 /nfs/dbraw/zinc/02/65/69/566026569.db2.gz CRCVGQWLHUGNOF-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000610263245 566074507 /nfs/dbraw/zinc/07/45/07/566074507.db2.gz HPICELZFPGOTJN-LLVKDONJSA-N -1 1 394.280 2.664 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000612141908 566153389 /nfs/dbraw/zinc/15/33/89/566153389.db2.gz XOXIEPBIGCWYKD-JTQLQIEISA-N -1 1 395.300 2.921 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1C ZINC000822213173 607255226 /nfs/dbraw/zinc/25/52/26/607255226.db2.gz XMPYEIODZFJCSO-UHFFFAOYSA-N -1 1 388.409 2.501 20 5 GFBDMM O=[N+]([O-])c1cnc(Sc2cc3c(cc2Cl)OCCO3)c(-c2nn[n-]n2)c1 ZINC000738373816 598501235 /nfs/dbraw/zinc/50/12/35/598501235.db2.gz HIJZNZJIWDOHGI-UHFFFAOYSA-N -1 1 392.784 2.746 20 5 GFBDMM COc1ccc(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1OC ZINC000826192688 607451720 /nfs/dbraw/zinc/45/17/20/607451720.db2.gz WWXHOPOGDARMST-UHFFFAOYSA-N -1 1 384.396 2.837 20 5 GFBDMM COc1ccc(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1OC ZINC000826192688 607451722 /nfs/dbraw/zinc/45/17/22/607451722.db2.gz WWXHOPOGDARMST-UHFFFAOYSA-N -1 1 384.396 2.837 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000832905713 601475376 /nfs/dbraw/zinc/47/53/76/601475376.db2.gz QASYLGCDRXZSEL-UHFFFAOYSA-N -1 1 390.377 2.587 20 5 GFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000826499294 607670153 /nfs/dbraw/zinc/67/01/53/607670153.db2.gz CXDLIGVAKXIOBK-UHFFFAOYSA-N -1 1 397.372 2.696 20 5 GFBDMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000825397989 604450426 /nfs/dbraw/zinc/45/04/26/604450426.db2.gz RYHNRSRXXGLEMB-SNVBAGLBSA-N -1 1 383.364 2.730 20 5 GFBDMM CC(C)COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000833490593 605327179 /nfs/dbraw/zinc/32/71/79/605327179.db2.gz JOOWTXZWQABAQY-UHFFFAOYSA-N -1 1 395.393 2.524 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000823620621 606701928 /nfs/dbraw/zinc/70/19/28/606701928.db2.gz NHDPYGPBDLEMFX-CJNGLKHVSA-N -1 1 381.396 2.750 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000823620621 606701930 /nfs/dbraw/zinc/70/19/30/606701930.db2.gz NHDPYGPBDLEMFX-CJNGLKHVSA-N -1 1 381.396 2.750 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677950 606713293 /nfs/dbraw/zinc/71/32/93/606713293.db2.gz HJIYTSHEFJNFHT-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677950 606713294 /nfs/dbraw/zinc/71/32/94/606713294.db2.gz HJIYTSHEFJNFHT-LBPRGKRZSA-N -1 1 375.776 2.623 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCC2CCCCC2)CC1 ZINC000823620770 606714051 /nfs/dbraw/zinc/71/40/51/606714051.db2.gz PUJZQWJWSTWIHC-UHFFFAOYSA-N -1 1 387.444 2.736 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCC2CCCCC2)CC1 ZINC000823620770 606714052 /nfs/dbraw/zinc/71/40/52/606714052.db2.gz PUJZQWJWSTWIHC-UHFFFAOYSA-N -1 1 387.444 2.736 20 5 GFBDMM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000817153222 660184213 /nfs/dbraw/zinc/18/42/13/660184213.db2.gz DEVQFWRNCUVTTO-UHFFFAOYSA-N -1 1 387.849 2.634 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Br)s1 ZINC000823625544 607166536 /nfs/dbraw/zinc/16/65/36/607166536.db2.gz YCZLXRRAACPKST-UHFFFAOYSA-N -1 1 396.230 2.649 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Br)s1 ZINC000823625544 607166537 /nfs/dbraw/zinc/16/65/37/607166537.db2.gz YCZLXRRAACPKST-UHFFFAOYSA-N -1 1 396.230 2.649 20 5 GFBDMM CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000829902419 660621052 /nfs/dbraw/zinc/62/10/52/660621052.db2.gz FBJXRIAUQDAOCB-CYBMUJFWSA-N -1 1 399.252 2.912 20 5 GFBDMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000832179697 660760807 /nfs/dbraw/zinc/76/08/07/660760807.db2.gz CPYOLTBGWZVHKB-FZMZJTMJSA-N -1 1 376.862 2.978 20 5 GFBDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524442 660784124 /nfs/dbraw/zinc/78/41/24/660784124.db2.gz OJBRJOKPMLHKKX-KRTXAFLBSA-N -1 1 383.253 2.993 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000066001712 654892422 /nfs/dbraw/zinc/89/24/22/654892422.db2.gz ZIUBTDSOKFCJSR-LLVKDONJSA-N -1 1 385.442 2.600 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000135665055 655023770 /nfs/dbraw/zinc/02/37/70/655023770.db2.gz VAPOWTDLKYUXSJ-VIFPVBQESA-N -1 1 381.273 2.531 20 5 GFBDMM CN(c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1)C1CC1 ZINC000273344450 655139697 /nfs/dbraw/zinc/13/96/97/655139697.db2.gz OGSOHZQPIPSMIJ-LBPRGKRZSA-N -1 1 382.829 2.669 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c(Cl)c1 ZINC000165442061 655140068 /nfs/dbraw/zinc/14/00/68/655140068.db2.gz YJRMQAOSUODZIA-UHFFFAOYSA-N -1 1 385.814 2.558 20 5 GFBDMM COC(=O)c1cc([N-]C(=O)c2nc(Br)cs2)cc([N+](=O)[O-])c1 ZINC000120051582 655325996 /nfs/dbraw/zinc/32/59/96/655325996.db2.gz YBSZYRWNPAKMQN-UHFFFAOYSA-N -1 1 386.183 2.853 20 5 GFBDMM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cs1 ZINC000742279484 655713835 /nfs/dbraw/zinc/71/38/35/655713835.db2.gz HISBYIAQRCKUIR-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000742323764 655715823 /nfs/dbraw/zinc/71/58/23/655715823.db2.gz KYORYSWDVLHMIG-ZDUSSCGKSA-N -1 1 381.479 2.912 20 5 GFBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000756216408 655897055 /nfs/dbraw/zinc/89/70/55/655897055.db2.gz NUPIRTTUPCTMEC-AWEZNQCLSA-N -1 1 390.845 2.648 20 5 GFBDMM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768832477 656253801 /nfs/dbraw/zinc/25/38/01/656253801.db2.gz JNIOPKBZJHTBKI-MRVPVSSYSA-N -1 1 390.414 2.852 20 5 GFBDMM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046741 656263887 /nfs/dbraw/zinc/26/38/87/656263887.db2.gz LNKRTBULXHRKGM-UHFFFAOYSA-N -1 1 384.797 2.831 20 5 GFBDMM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000770272670 656313847 /nfs/dbraw/zinc/31/38/47/656313847.db2.gz BNPDXAFXIQXWBS-UHFFFAOYSA-N -1 1 380.451 2.757 20 5 GFBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795941521 658875323 /nfs/dbraw/zinc/87/53/23/658875323.db2.gz BLWZCXCFQTXPES-YUMQZZPRSA-N -1 1 381.223 2.963 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000805136714 659748443 /nfs/dbraw/zinc/74/84/43/659748443.db2.gz OJWUVVRJMJKGKL-ZDUSSCGKSA-N -1 1 388.804 2.789 20 5 GFBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394204 659926402 /nfs/dbraw/zinc/92/64/02/659926402.db2.gz WAUBUFDCLGZHMV-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809812316 659940901 /nfs/dbraw/zinc/94/09/01/659940901.db2.gz DVPGBWJWBJHRAZ-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)C ZINC000809817946 659941917 /nfs/dbraw/zinc/94/19/17/659941917.db2.gz USYUVPXFSHGLJS-LLVKDONJSA-N -1 1 399.252 2.768 20 5 GFBDMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822624 659943731 /nfs/dbraw/zinc/94/37/31/659943731.db2.gz QJNYIQSRHSUOIN-JTQLQIEISA-N -1 1 382.841 2.710 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000811831723 660016419 /nfs/dbraw/zinc/01/64/19/660016419.db2.gz FZTVRRLKWUKSJE-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000814986412 660100129 /nfs/dbraw/zinc/10/01/29/660100129.db2.gz OUDALPJXEPKWCX-JTQLQIEISA-N -1 1 386.788 2.669 20 5 GFBDMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021597 660102736 /nfs/dbraw/zinc/10/27/36/660102736.db2.gz HVYMKYYJFYRNOU-SNVBAGLBSA-N -1 1 382.841 2.710 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)nc1 ZINC000815027210 660103825 /nfs/dbraw/zinc/10/38/25/660103825.db2.gz YOGUCSWZROBCSU-UHFFFAOYSA-N -1 1 394.211 2.957 20 5 GFBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815032828 660104699 /nfs/dbraw/zinc/10/46/99/660104699.db2.gz NDJQPUKSTKFVGW-ZJUUUORDSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000815034110 660104887 /nfs/dbraw/zinc/10/48/87/660104887.db2.gz DIKNLKKCOFWOGG-TVQRCGJNSA-N -1 1 378.809 2.623 20 5 GFBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000841548407 661296565 /nfs/dbraw/zinc/29/65/65/661296565.db2.gz ITMVITVGSSMDGP-QWHCGFSZSA-N -1 1 378.809 2.623 20 5 GFBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000841558695 661300519 /nfs/dbraw/zinc/30/05/19/661300519.db2.gz JXMMZFDLGDQDFX-CLAHSXSESA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)cc1Cl ZINC000845980665 661517145 /nfs/dbraw/zinc/51/71/45/661517145.db2.gz RYXQEYDCNZBAGN-HNNXBMFYSA-N -1 1 392.836 2.871 20 5 GFBDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158634585 551554587 /nfs/dbraw/zinc/55/45/87/551554587.db2.gz ORRYWQMNSFZYGP-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000162735479 551612040 /nfs/dbraw/zinc/61/20/40/551612040.db2.gz LNOQYMBZLPMKTM-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000178880900 552178050 /nfs/dbraw/zinc/17/80/50/552178050.db2.gz JNTZIKFQFAXUBD-CYBMUJFWSA-N -1 1 384.841 2.693 20 5 GFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000327920221 563460125 /nfs/dbraw/zinc/46/01/25/563460125.db2.gz AFUVOCBQBHCSCW-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)sc2C1 ZINC000377055147 563462063 /nfs/dbraw/zinc/46/20/63/563462063.db2.gz DTSDXECNZBNCRL-UHFFFAOYSA-N -1 1 384.211 2.718 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330649555 563515695 /nfs/dbraw/zinc/51/56/95/563515695.db2.gz GWOGNXDJIFEOOR-ZUZCIYMTSA-N -1 1 390.845 2.648 20 5 GFBDMM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000285738089 563534775 /nfs/dbraw/zinc/53/47/75/563534775.db2.gz OWXXHXYZKVXSNU-ZDUSSCGKSA-N -1 1 393.197 2.734 20 5 GFBDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)no1 ZINC000432298938 563580093 /nfs/dbraw/zinc/58/00/93/563580093.db2.gz OEVIYMPXVRKCLF-CQSZACIVSA-N -1 1 386.817 2.543 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000433444298 563613140 /nfs/dbraw/zinc/61/31/40/563613140.db2.gz SMEUGQNQWOUCJY-ZDUSSCGKSA-N -1 1 381.479 2.851 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443273408 563798712 /nfs/dbraw/zinc/79/87/12/563798712.db2.gz VGAMOYQYLJWMDM-NSHDSACASA-N -1 1 392.767 2.538 20 5 GFBDMM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cn(C)c2c1 ZINC000444276663 563826103 /nfs/dbraw/zinc/82/61/03/563826103.db2.gz IRDKMMXHGVCLJE-UHFFFAOYSA-N -1 1 379.463 2.977 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447847209 563887882 /nfs/dbraw/zinc/88/78/82/563887882.db2.gz YTMLSMLADWXXHI-UHFFFAOYSA-N -1 1 393.755 2.723 20 5 GFBDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000451681820 564339290 /nfs/dbraw/zinc/33/92/90/564339290.db2.gz YWEOXXPFWBJRFG-UHFFFAOYSA-N -1 1 394.240 2.622 20 5 GFBDMM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451864402 564360489 /nfs/dbraw/zinc/36/04/89/564360489.db2.gz RXAGDSFUTYDMKU-PWSUYJOCSA-N -1 1 390.845 2.648 20 5 GFBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1[N+](=O)[O-] ZINC000463157323 564870884 /nfs/dbraw/zinc/87/08/84/564870884.db2.gz AYYKHQFZQZUDFH-UHFFFAOYSA-N -1 1 382.167 2.971 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000583306661 564885593 /nfs/dbraw/zinc/88/55/93/564885593.db2.gz GOMOIIRIBAAPRX-JTQLQIEISA-N -1 1 378.353 2.860 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000533175649 564957377 /nfs/dbraw/zinc/95/73/77/564957377.db2.gz KZQBAUZOZWXHGD-UHFFFAOYSA-N -1 1 386.861 2.764 20 5 GFBDMM Cc1[n-][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000597731171 565573299 /nfs/dbraw/zinc/57/32/99/565573299.db2.gz GCPKKEPCWVHKLB-UHFFFAOYSA-N -1 1 385.193 2.866 20 5 GFBDMM CC(C)Sc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229542 565662074 /nfs/dbraw/zinc/66/20/74/565662074.db2.gz FHCIYHDUQTYTTO-NSHDSACASA-N -1 1 384.483 2.868 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000610261966 566072618 /nfs/dbraw/zinc/07/26/18/566072618.db2.gz FCLMCEJEYVKHCB-UHFFFAOYSA-N -1 1 384.826 2.731 20 5 GFBDMM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2c1 ZINC000610512918 566085195 /nfs/dbraw/zinc/08/51/95/566085195.db2.gz OXILETBDWQEZRH-UHFFFAOYSA-N -1 1 381.435 2.667 20 5 GFBDMM Cc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822345146 599186732 /nfs/dbraw/zinc/18/67/32/599186732.db2.gz GEUZUEIIDYGTLV-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2cc(Cl)ccc21 ZINC000737590741 598499312 /nfs/dbraw/zinc/49/93/12/598499312.db2.gz DBMOWYYXOBZYSA-UHFFFAOYSA-N -1 1 388.800 2.861 20 5 GFBDMM Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921358 601370262 /nfs/dbraw/zinc/37/02/62/601370262.db2.gz PLDWMGSIGZVARJ-ZIAGYGMSSA-N -1 1 385.420 2.957 20 5 GFBDMM Cc1cc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978131 602318504 /nfs/dbraw/zinc/31/85/04/602318504.db2.gz YJJKJKLDBHDAHM-HNNXBMFYSA-N -1 1 399.451 2.619 20 5 GFBDMM O=[N+]([O-])c1cc(N2CC[C@@H](COCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000826498014 607567793 /nfs/dbraw/zinc/56/77/93/607567793.db2.gz DANKWFXDWXIHCI-OAHLLOKOSA-N -1 1 380.408 2.818 20 5 GFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1-c1nn[n-]n1 ZINC000823635030 606646003 /nfs/dbraw/zinc/64/60/03/606646003.db2.gz PXFXSJNEIXQZSF-LBPRGKRZSA-N -1 1 383.387 2.852 20 5 GFBDMM Cc1nc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)sc1C ZINC000822437324 606705631 /nfs/dbraw/zinc/70/56/31/606705631.db2.gz ZBDCXHUKXMXMEO-LLVKDONJSA-N -1 1 386.441 2.627 20 5 GFBDMM Cc1nc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)sc1C ZINC000822437324 606705633 /nfs/dbraw/zinc/70/56/33/606705633.db2.gz ZBDCXHUKXMXMEO-LLVKDONJSA-N -1 1 386.441 2.627 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1N1CCCCC1 ZINC000826497478 609321545 /nfs/dbraw/zinc/32/15/45/609321545.db2.gz IUGDRUUALXNWFR-UHFFFAOYSA-N -1 1 380.412 2.772 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1N1CCCCC1 ZINC000826497478 609321547 /nfs/dbraw/zinc/32/15/47/609321547.db2.gz IUGDRUUALXNWFR-UHFFFAOYSA-N -1 1 380.412 2.772 20 5 GFBDMM C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000827799339 660516445 /nfs/dbraw/zinc/51/64/45/660516445.db2.gz QKCMKHVDSKCRNB-NXEZZACHSA-N -1 1 393.487 2.626 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1Cl ZINC000832318370 660772734 /nfs/dbraw/zinc/77/27/34/660772734.db2.gz YGRYGKXMPBOVFG-JTQLQIEISA-N -1 1 381.237 2.749 20 5 GFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000832650505 660791393 /nfs/dbraw/zinc/79/13/93/660791393.db2.gz XCYYPXQKWGZESO-UHFFFAOYSA-N -1 1 376.862 2.858 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000038039679 654617010 /nfs/dbraw/zinc/61/70/10/654617010.db2.gz CCIYCJXWKKNGIV-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000048742590 654712592 /nfs/dbraw/zinc/71/25/92/654712592.db2.gz VXYMWODYCFUZIX-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000124008175 654768825 /nfs/dbraw/zinc/76/88/25/654768825.db2.gz IKGUDXLOYLWHPM-SECBINFHSA-N -1 1 381.273 2.531 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127789570 654834182 /nfs/dbraw/zinc/83/41/82/654834182.db2.gz WPRCTSPJXYJBMD-BXUZGUMPSA-N -1 1 376.862 2.858 20 5 GFBDMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269382731 655007716 /nfs/dbraw/zinc/00/77/16/655007716.db2.gz PZMRUZJKAUYNPI-NSHDSACASA-N -1 1 385.833 2.560 20 5 GFBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000135968121 655025934 /nfs/dbraw/zinc/02/59/34/655025934.db2.gz AIGYSKCHSRIZLR-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000173522811 655173691 /nfs/dbraw/zinc/17/36/91/655173691.db2.gz QUZUGVATZTWFKK-VIFPVBQESA-N -1 1 395.275 2.839 20 5 GFBDMM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416575270 655404250 /nfs/dbraw/zinc/40/42/50/655404250.db2.gz AUOMBUDSJYWGMZ-HIFRSBDPSA-N -1 1 382.825 2.839 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000194018723 655413790 /nfs/dbraw/zinc/41/37/90/655413790.db2.gz FENRHFRNRWBMFA-UHFFFAOYSA-N -1 1 381.273 2.531 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000725820064 655526855 /nfs/dbraw/zinc/52/68/55/655526855.db2.gz KTTAWKJOEIKFSZ-NSHDSACASA-N -1 1 382.825 2.778 20 5 GFBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000728294291 655554298 /nfs/dbraw/zinc/55/42/98/655554298.db2.gz INTVPHNGWBDMQP-JTQLQIEISA-N -1 1 384.435 2.775 20 5 GFBDMM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751401435 655826360 /nfs/dbraw/zinc/82/63/60/655826360.db2.gz AGEORPPNHWOHAK-SMDDNHRTSA-N -1 1 384.841 2.691 20 5 GFBDMM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000785310267 657354342 /nfs/dbraw/zinc/35/43/42/657354342.db2.gz TUVXZLFVIPHWNK-LBPRGKRZSA-N -1 1 376.843 2.976 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000795288510 658801292 /nfs/dbraw/zinc/80/12/92/658801292.db2.gz CRJJDDFBBWFGRU-SSDOTTSWSA-N -1 1 392.256 2.853 20 5 GFBDMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795945644 658875711 /nfs/dbraw/zinc/87/57/11/658875711.db2.gz WFUOWKLSYJOKEB-UHFFFAOYSA-N -1 1 399.238 2.590 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1O ZINC000809818391 659941926 /nfs/dbraw/zinc/94/19/26/659941926.db2.gz CJFAEVUDMFLXEK-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822587 659943647 /nfs/dbraw/zinc/94/36/47/659943647.db2.gz PGSGVCBDNFQVIP-VIFPVBQESA-N -1 1 385.269 2.979 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC[C@@H]1O ZINC000809823187 659943783 /nfs/dbraw/zinc/94/37/83/659943783.db2.gz IQXGGBXGQDUMOK-KBPBESRZSA-N -1 1 380.825 2.607 20 5 GFBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809829994 659946171 /nfs/dbraw/zinc/94/61/71/659946171.db2.gz PVLDILHVYRANPX-RNCFNFMXSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cnc(Cl)s2)cc1Cl ZINC000809849109 659949207 /nfs/dbraw/zinc/94/92/07/659949207.db2.gz KEUFVUWQEUDFFO-UHFFFAOYSA-N -1 1 386.213 2.976 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000815026053 660103608 /nfs/dbraw/zinc/10/36/08/660103608.db2.gz CASPKGWEJSPWIP-MCCGJVOXSA-N -1 1 390.820 2.623 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000815044227 660106465 /nfs/dbraw/zinc/10/64/65/660106465.db2.gz ZEDFLYVBWKETIJ-UHFFFAOYSA-N -1 1 394.808 2.542 20 5 GFBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047809 660107216 /nfs/dbraw/zinc/10/72/16/660107216.db2.gz JKWFIMKYALBADF-UHFFFAOYSA-N -1 1 396.824 2.788 20 5 GFBDMM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841560625 661301395 /nfs/dbraw/zinc/30/13/95/661301395.db2.gz ORSIHLTWVKLOIY-RMLUDKJBSA-N -1 1 380.825 2.869 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000026233413 551120550 /nfs/dbraw/zinc/12/05/50/551120550.db2.gz PAOZNTGJRXLXGI-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM CC(C)c1noc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000129372117 551356432 /nfs/dbraw/zinc/35/64/32/551356432.db2.gz SFSVVGKXTKOVHP-UHFFFAOYSA-N -1 1 388.833 2.666 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)s1 ZINC000153170095 551448108 /nfs/dbraw/zinc/44/81/08/551448108.db2.gz GPNNFOQPVUMJHU-UHFFFAOYSA-N -1 1 378.435 2.595 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000170873865 551641925 /nfs/dbraw/zinc/64/19/25/551641925.db2.gz WIXCQIOZMVJZDX-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173375975 552084644 /nfs/dbraw/zinc/08/46/44/552084644.db2.gz ORDSMMVZZHGGBZ-OAHLLOKOSA-N -1 1 385.467 2.972 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000186908057 552401093 /nfs/dbraw/zinc/40/10/93/552401093.db2.gz FITPUFXGSMVWFC-NSHDSACASA-N -1 1 389.430 2.937 20 5 GFBDMM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000189062460 552462050 /nfs/dbraw/zinc/46/20/50/552462050.db2.gz JAJGJNCEIZGUHG-UHFFFAOYSA-N -1 1 392.209 2.965 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC000191799055 552538507 /nfs/dbraw/zinc/53/85/07/552538507.db2.gz LILDDVGPHWLZOW-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295802008 563263228 /nfs/dbraw/zinc/26/32/28/563263228.db2.gz BAXKAQUFXDETJI-IUCAKERBSA-N -1 1 383.253 2.853 20 5 GFBDMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427798442 563476516 /nfs/dbraw/zinc/47/65/16/563476516.db2.gz NLJPLXBVXSACRE-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)cc1Cl ZINC000436473481 563670974 /nfs/dbraw/zinc/67/09/74/563670974.db2.gz BAVWXHZHHDNSPO-UHFFFAOYSA-N -1 1 390.204 2.801 20 5 GFBDMM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cs1 ZINC000290219062 563701931 /nfs/dbraw/zinc/70/19/31/563701931.db2.gz WELQDEJNWNHTQC-UHFFFAOYSA-N -1 1 391.858 2.638 20 5 GFBDMM COC(=O)CCc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000439157398 563718221 /nfs/dbraw/zinc/71/82/21/563718221.db2.gz SRTSXTZSBUHIKH-UHFFFAOYSA-N -1 1 384.801 2.766 20 5 GFBDMM CN(CCOc1ccc(Br)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444831247 563837848 /nfs/dbraw/zinc/83/78/48/563837848.db2.gz YZMQDHHAMBMHJS-UHFFFAOYSA-N -1 1 396.197 2.609 20 5 GFBDMM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416526453 563843161 /nfs/dbraw/zinc/84/31/61/563843161.db2.gz SCFPTJYUJRVQMS-UHFFFAOYSA-N -1 1 395.275 2.841 20 5 GFBDMM O=C([N-]c1ncc(F)cc1I)c1ccc([N+](=O)[O-])o1 ZINC000539658984 564225175 /nfs/dbraw/zinc/22/51/75/564225175.db2.gz VMAFYYRCXMKTDM-UHFFFAOYSA-N -1 1 377.069 2.579 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544672663 564393319 /nfs/dbraw/zinc/39/33/19/564393319.db2.gz MPFFEDGPEVAXHP-CHWSQXEVSA-N -1 1 386.426 2.994 20 5 GFBDMM O=C(N=c1nc(-c2cc(Cl)ccc2Cl)[nH][n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000545910751 564437812 /nfs/dbraw/zinc/43/78/12/564437812.db2.gz BGSDNANQWGXZGO-UHFFFAOYSA-N -1 1 379.163 2.756 20 5 GFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Br ZINC000483316411 564563491 /nfs/dbraw/zinc/56/34/91/564563491.db2.gz PAPMXOXWJTYDCY-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000485511516 564618033 /nfs/dbraw/zinc/61/80/33/564618033.db2.gz CGDRGGZWPSFVHL-UHFFFAOYSA-N -1 1 382.423 2.526 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)c([N+](=O)[O-])n1 ZINC000555412795 564792261 /nfs/dbraw/zinc/79/22/61/564792261.db2.gz NUPROBIWEWVFJG-UHFFFAOYSA-N -1 1 380.451 2.547 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CC ZINC000462574892 564849616 /nfs/dbraw/zinc/84/96/16/564849616.db2.gz QZRYRAVRHRCRIF-SKDRFNHKSA-N -1 1 378.834 2.504 20 5 GFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000582889598 564866511 /nfs/dbraw/zinc/86/65/11/564866511.db2.gz NGIOBXXMESHCGT-SECBINFHSA-N -1 1 378.353 2.860 20 5 GFBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000466925056 564950207 /nfs/dbraw/zinc/95/02/07/564950207.db2.gz CSBZKGOLEBSWMQ-UHFFFAOYSA-N -1 1 380.813 2.911 20 5 GFBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000560141229 564951505 /nfs/dbraw/zinc/95/15/05/564951505.db2.gz APYVXDORSQSUHR-UHFFFAOYSA-N -1 1 389.183 2.606 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000533175385 564956655 /nfs/dbraw/zinc/95/66/55/564956655.db2.gz SVLBWUWOTJCDAF-UHFFFAOYSA-N -1 1 386.861 2.721 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000593557980 565341692 /nfs/dbraw/zinc/34/16/92/565341692.db2.gz QMOVEYFFOFYPLP-MRVPVSSYSA-N -1 1 396.372 2.895 20 5 GFBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000609870983 566055731 /nfs/dbraw/zinc/05/57/31/566055731.db2.gz AIFAXXJLCOVVIP-UHFFFAOYSA-N -1 1 382.423 2.526 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc12 ZINC000738372116 598721942 /nfs/dbraw/zinc/72/19/42/598721942.db2.gz OAVPTUBIBMXHAL-UHFFFAOYSA-N -1 1 388.796 2.853 20 5 GFBDMM Cc1ccc([C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000738262060 599703436 /nfs/dbraw/zinc/70/34/36/599703436.db2.gz SQWKQEGOHHZMNG-MRXNPFEDSA-N -1 1 387.392 2.761 20 5 GFBDMM O=C(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826474261 607450384 /nfs/dbraw/zinc/45/03/84/607450384.db2.gz IOMFWYXMGUYTEX-UHFFFAOYSA-N -1 1 378.392 2.874 20 5 GFBDMM O=C(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826474261 607450386 /nfs/dbraw/zinc/45/03/86/607450386.db2.gz IOMFWYXMGUYTEX-UHFFFAOYSA-N -1 1 378.392 2.874 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826499085 607450965 /nfs/dbraw/zinc/45/09/65/607450965.db2.gz VDZXBZCHTKJGNW-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826499085 607450967 /nfs/dbraw/zinc/45/09/67/607450967.db2.gz VDZXBZCHTKJGNW-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830260152 600688990 /nfs/dbraw/zinc/68/89/90/600688990.db2.gz UTHDHZKIMQRCOH-UHFFFAOYSA-N -1 1 395.349 2.564 20 5 GFBDMM Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921351 601370295 /nfs/dbraw/zinc/37/02/95/601370295.db2.gz PLDWMGSIGZVARJ-KBPBESRZSA-N -1 1 385.420 2.957 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826293232 607590690 /nfs/dbraw/zinc/59/06/90/607590690.db2.gz GZYWIFFIJXUHHL-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825894705 603560336 /nfs/dbraw/zinc/56/03/36/603560336.db2.gz JFWHMVLPFTWHCS-KZULUSFZSA-N -1 1 389.412 2.951 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cc2c(cc1Cl)OCCO2 ZINC000823629621 606707484 /nfs/dbraw/zinc/70/74/84/606707484.db2.gz CBVPAXIQFKWWLU-UHFFFAOYSA-N -1 1 392.784 2.746 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1cc2c(cc1Cl)OCCO2 ZINC000823629621 606707486 /nfs/dbraw/zinc/70/74/86/606707486.db2.gz CBVPAXIQFKWWLU-UHFFFAOYSA-N -1 1 392.784 2.746 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000823621152 606712929 /nfs/dbraw/zinc/71/29/29/606712929.db2.gz XDGAYTFQEIZEMF-KWQFWETISA-N -1 1 375.751 2.930 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000823621152 606712930 /nfs/dbraw/zinc/71/29/30/606712930.db2.gz XDGAYTFQEIZEMF-KWQFWETISA-N -1 1 375.751 2.930 20 5 GFBDMM CN(C1CCCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592425 606732810 /nfs/dbraw/zinc/73/28/10/606732810.db2.gz FMLRAWKKPJQGPK-UHFFFAOYSA-N -1 1 394.457 2.508 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(CCc2ccc(O)cc2)CC1 ZINC000823620496 607166542 /nfs/dbraw/zinc/16/65/42/607166542.db2.gz LZEOCPWVVLDHLI-UHFFFAOYSA-N -1 1 395.423 2.725 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(CCc2ccc(O)cc2)CC1 ZINC000823620496 607166543 /nfs/dbraw/zinc/16/65/43/607166543.db2.gz LZEOCPWVVLDHLI-UHFFFAOYSA-N -1 1 395.423 2.725 20 5 GFBDMM COCC1(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000827889098 660521417 /nfs/dbraw/zinc/52/14/17/660521417.db2.gz ACNBUZPKPVIMFW-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830860057 660683753 /nfs/dbraw/zinc/68/37/53/660683753.db2.gz QZZLBEPLGDPGTE-IUCAKERBSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCCn2ccnc2)c1Cl ZINC000831028661 660691552 /nfs/dbraw/zinc/69/15/52/660691552.db2.gz SFNGCMQHLBKAMO-UHFFFAOYSA-N -1 1 393.252 2.857 20 5 GFBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831038479 660691999 /nfs/dbraw/zinc/69/19/99/660691999.db2.gz NAKUPNSEHMTLFZ-ZDUSSCGKSA-N -1 1 397.280 2.977 20 5 GFBDMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832463193 660781279 /nfs/dbraw/zinc/78/12/79/660781279.db2.gz UCPWDZZJXNUEQY-QMMMGPOBSA-N -1 1 393.252 2.545 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000125608537 654799433 /nfs/dbraw/zinc/79/94/33/654799433.db2.gz ZCIANAWHMYISMY-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129172067 654859129 /nfs/dbraw/zinc/85/91/29/654859129.db2.gz MCXFDARSJXVDHK-NHYWBVRUSA-N -1 1 384.841 2.519 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129172257 654859191 /nfs/dbraw/zinc/85/91/91/654859191.db2.gz MCXFDARSJXVDHK-ABAIWWIYSA-N -1 1 384.841 2.519 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000268462346 654972970 /nfs/dbraw/zinc/97/29/70/654972970.db2.gz FGUMUZRLFDIORS-UHFFFAOYSA-N -1 1 387.215 2.759 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153975549 655072563 /nfs/dbraw/zinc/07/25/63/655072563.db2.gz BBRUCUBWCVEEJB-HNNXBMFYSA-N -1 1 388.804 2.573 20 5 GFBDMM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000103713060 655075265 /nfs/dbraw/zinc/07/52/65/655075265.db2.gz ZCYJAAJPTITDPW-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000173831370 655182155 /nfs/dbraw/zinc/18/21/55/655182155.db2.gz PFXYVXHOLQJSOI-GFCCVEGCSA-N -1 1 395.275 2.697 20 5 GFBDMM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175649580 655225024 /nfs/dbraw/zinc/22/50/24/655225024.db2.gz ARFGBAQLKPTOPA-RSPIHXBNSA-N -1 1 394.902 2.606 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCc2ccnc(Cl)c2)s1 ZINC000776862966 656798312 /nfs/dbraw/zinc/79/83/12/656798312.db2.gz KITUVUZVCAPBFH-UHFFFAOYSA-N -1 1 393.899 2.916 20 5 GFBDMM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000782492347 657150911 /nfs/dbraw/zinc/15/09/11/657150911.db2.gz NIVVWSLKNSTRPW-OAHLLOKOSA-N -1 1 376.862 2.858 20 5 GFBDMM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784372062 657304045 /nfs/dbraw/zinc/30/40/45/657304045.db2.gz DKAXOLIBVJGNRC-GFCCVEGCSA-N -1 1 388.829 2.767 20 5 GFBDMM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796006709 658879364 /nfs/dbraw/zinc/87/93/64/658879364.db2.gz AMCRFTROHXWXPB-HNNXBMFYSA-N -1 1 384.841 2.823 20 5 GFBDMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809812162 659940908 /nfs/dbraw/zinc/94/09/08/659940908.db2.gz ZFCXVMYLHWAZSH-LURJTMIESA-N -1 1 394.730 2.633 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccsc1 ZINC000809820094 659942683 /nfs/dbraw/zinc/94/26/83/659942683.db2.gz MQPAGGKQCVADAR-CYBMUJFWSA-N -1 1 394.833 2.635 20 5 GFBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823342 659943979 /nfs/dbraw/zinc/94/39/79/659943979.db2.gz LSPNEFUIOFVQOA-UHFFFAOYSA-N -1 1 396.824 2.788 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)cc1Cl ZINC000809825585 659944253 /nfs/dbraw/zinc/94/42/53/659944253.db2.gz IXQSYUXSVGWVIW-UHFFFAOYSA-N -1 1 394.211 2.957 20 5 GFBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809827370 659944988 /nfs/dbraw/zinc/94/49/88/659944988.db2.gz MHUPWSBHVYGSAZ-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c(Cl)cc1Cl ZINC000809832850 659946918 /nfs/dbraw/zinc/94/69/18/659946918.db2.gz USNGWGGUMDMGSK-SNVBAGLBSA-N -1 1 397.261 2.975 20 5 GFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000810105730 659962195 /nfs/dbraw/zinc/96/21/95/659962195.db2.gz FEJKLFLHLZAJAK-ZDUSSCGKSA-N -1 1 397.280 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1F ZINC000815015314 660101730 /nfs/dbraw/zinc/10/17/30/660101730.db2.gz IYMDKLCCGOTBOI-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000815022505 660102985 /nfs/dbraw/zinc/10/29/85/660102985.db2.gz PKBDVFHOJUPUKL-GFCCVEGCSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CSCCS1 ZINC000815023945 660103124 /nfs/dbraw/zinc/10/31/24/660103124.db2.gz MYAUDQFRQUMWLA-SSDOTTSWSA-N -1 1 386.879 2.514 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000815025681 660103557 /nfs/dbraw/zinc/10/35/57/660103557.db2.gz XMCSJSFILNSZOA-XTWCZFFVSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000815042613 660106334 /nfs/dbraw/zinc/10/63/34/660106334.db2.gz YVLKYXXCOJFISI-LLVKDONJSA-N -1 1 394.852 2.854 20 5 GFBDMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000815055989 660107821 /nfs/dbraw/zinc/10/78/21/660107821.db2.gz WZTXSHONIMAWFD-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000841558704 661300461 /nfs/dbraw/zinc/30/04/61/661300461.db2.gz JXMMZFDLGDQDFX-RTHLEPHNSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)cc1Cl ZINC000841567756 661304426 /nfs/dbraw/zinc/30/44/26/661304426.db2.gz URMBNYPWMYUOHO-UHFFFAOYSA-N -1 1 392.821 2.595 20 5 GFBDMM O=C([O-])CCN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000903702856 663804340 /nfs/dbraw/zinc/80/43/40/663804340.db2.gz KAFJYBLZSVVOCP-UHFFFAOYSA-N -1 1 387.230 2.813 20 5 GFBDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055620384 551173458 /nfs/dbraw/zinc/17/34/58/551173458.db2.gz FROXMMWOUUQPLP-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000066327743 551186479 /nfs/dbraw/zinc/18/64/79/551186479.db2.gz OLTNSHKYIPWCIS-UHFFFAOYSA-N -1 1 390.826 2.559 20 5 GFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123386022 551306201 /nfs/dbraw/zinc/30/62/01/551306201.db2.gz WXVXDDRNMBLUOC-UHFFFAOYSA-N -1 1 380.080 2.747 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000171418023 551655334 /nfs/dbraw/zinc/65/53/34/551655334.db2.gz KVDSCUIBPIHLBO-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733053 563280322 /nfs/dbraw/zinc/28/03/22/563280322.db2.gz USFWOMGJWWPAOJ-QWRGUYRKSA-N -1 1 393.259 2.593 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425195210 563410136 /nfs/dbraw/zinc/41/01/36/563410136.db2.gz QAWOJCDDUBZYMC-UHFFFAOYSA-N -1 1 396.799 2.921 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)s1 ZINC000432299284 563579665 /nfs/dbraw/zinc/57/96/65/563579665.db2.gz ARUPYFYNCTYGLL-UHFFFAOYSA-N -1 1 381.357 2.591 20 5 GFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Br)cc1 ZINC000440474787 563742964 /nfs/dbraw/zinc/74/29/64/563742964.db2.gz CWRLMPWNHJHHBX-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416458254 563831730 /nfs/dbraw/zinc/83/17/30/563831730.db2.gz QDHZDHVLLMMGID-LURJTMIESA-N -1 1 396.372 2.813 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Br)c1 ZINC000447025800 563872637 /nfs/dbraw/zinc/87/26/37/563872637.db2.gz DYLGWNIRDMVZIW-UHFFFAOYSA-N -1 1 377.138 2.588 20 5 GFBDMM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000538760305 564200481 /nfs/dbraw/zinc/20/04/81/564200481.db2.gz DKFAEQLMUDIUDI-UHFFFAOYSA-N -1 1 390.483 2.835 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473605741 564250881 /nfs/dbraw/zinc/25/08/81/564250881.db2.gz DHLZVNZUMCYTMI-JOYOIKCWSA-N -1 1 396.172 2.883 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000525688069 564705121 /nfs/dbraw/zinc/70/51/21/564705121.db2.gz NMOVVMPUIXBZAU-NWDGAFQWSA-N -1 1 398.238 2.587 20 5 GFBDMM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488829290 564721461 /nfs/dbraw/zinc/72/14/61/564721461.db2.gz XXHLKIGOBVROOW-UHFFFAOYSA-N -1 1 395.275 2.698 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000488944954 564724514 /nfs/dbraw/zinc/72/45/14/564724514.db2.gz PBIKDBPFHBAPNY-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM COC(=O)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000577876146 564738299 /nfs/dbraw/zinc/73/82/99/564738299.db2.gz NNGWTFZLHCSSRV-UHFFFAOYSA-N -1 1 382.423 2.986 20 5 GFBDMM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582760744 564860899 /nfs/dbraw/zinc/86/08/99/564860899.db2.gz CDTRUWOZFINALU-VIFPVBQESA-N -1 1 385.225 2.679 20 5 GFBDMM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582760743 564860987 /nfs/dbraw/zinc/86/09/87/564860987.db2.gz CDTRUWOZFINALU-SECBINFHSA-N -1 1 385.225 2.679 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000560056608 564947223 /nfs/dbraw/zinc/94/72/23/564947223.db2.gz AHTKHHCIZRQZAB-UHFFFAOYSA-N -1 1 392.890 2.827 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 ZINC000533175224 564957324 /nfs/dbraw/zinc/95/73/24/564957324.db2.gz LDNBKGIMSHGUKS-UHFFFAOYSA-N -1 1 393.252 2.639 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456500 565013793 /nfs/dbraw/zinc/01/37/93/565013793.db2.gz WHHUBNMKDXMNII-XHDPSFHLSA-N -1 1 390.845 2.648 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592099637 565255717 /nfs/dbraw/zinc/25/57/17/565255717.db2.gz RXZGVZIHQGFMAO-HNNXBMFYSA-N -1 1 388.873 2.880 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)s1 ZINC000610161535 566069237 /nfs/dbraw/zinc/06/92/37/566069237.db2.gz AJEKOAKZXVYLHY-CYBMUJFWSA-N -1 1 378.435 2.573 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826498327 607450956 /nfs/dbraw/zinc/45/09/56/607450956.db2.gz PVHHBAMUIYPISF-GOSISDBHSA-N -1 1 380.408 2.725 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826498327 607450957 /nfs/dbraw/zinc/45/09/57/607450957.db2.gz PVHHBAMUIYPISF-GOSISDBHSA-N -1 1 380.408 2.725 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000826498976 607567932 /nfs/dbraw/zinc/56/79/32/607567932.db2.gz QSVQTTOVBVICCQ-AWEZNQCLSA-N -1 1 380.364 2.845 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826498976 607567934 /nfs/dbraw/zinc/56/79/34/607567934.db2.gz QSVQTTOVBVICCQ-AWEZNQCLSA-N -1 1 380.364 2.845 20 5 GFBDMM CC(C)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000824347441 607576428 /nfs/dbraw/zinc/57/64/28/607576428.db2.gz ARBIDEUHLIFOOM-UHFFFAOYSA-N -1 1 389.393 2.666 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccccc1Br ZINC000823624765 606705932 /nfs/dbraw/zinc/70/59/32/606705932.db2.gz ISZIQLMQYVFEEY-UHFFFAOYSA-N -1 1 390.201 2.587 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccccc1Br ZINC000823624765 606705934 /nfs/dbraw/zinc/70/59/34/606705934.db2.gz ISZIQLMQYVFEEY-UHFFFAOYSA-N -1 1 390.201 2.587 20 5 GFBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830979960 660689251 /nfs/dbraw/zinc/68/92/51/660689251.db2.gz FLSHYYAICSQYOD-QMMMGPOBSA-N -1 1 399.252 2.768 20 5 GFBDMM CCOC(=O)c1cc(C(=O)[N-]c2nnc(SCC)s2)cc([N+](=O)[O-])c1 ZINC000014740261 654507838 /nfs/dbraw/zinc/50/78/38/654507838.db2.gz JWIVTPVAGVCJAT-UHFFFAOYSA-N -1 1 382.423 2.987 20 5 GFBDMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)o1 ZINC000121899816 654725086 /nfs/dbraw/zinc/72/50/86/654725086.db2.gz FXPPAEDJTBKPOA-OAHLLOKOSA-N -1 1 388.829 2.644 20 5 GFBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130599990 654890193 /nfs/dbraw/zinc/89/01/93/654890193.db2.gz KXTNZNALPJBCIJ-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153975450 655072558 /nfs/dbraw/zinc/07/25/58/655072558.db2.gz BBRUCUBWCVEEJB-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1 ZINC000159309800 655112947 /nfs/dbraw/zinc/11/29/47/655112947.db2.gz AAJAPIBBMNWTEH-ZDUSSCGKSA-N -1 1 391.232 2.914 20 5 GFBDMM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000111666462 655175794 /nfs/dbraw/zinc/17/57/94/655175794.db2.gz XCBLIKYBGUHBMY-UHFFFAOYSA-N -1 1 384.175 2.976 20 5 GFBDMM CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000120097427 655327554 /nfs/dbraw/zinc/32/75/54/655327554.db2.gz NDNMAPQZMRVMKK-CYBMUJFWSA-N -1 1 384.479 2.966 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751390823 655826309 /nfs/dbraw/zinc/82/63/09/655826309.db2.gz HBOMXNRFQRWKGC-YMTOWFKASA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000755967528 655892149 /nfs/dbraw/zinc/89/21/49/655892149.db2.gz NCMHPYOYPFIVBI-ZZDSUILFSA-N -1 1 386.426 2.511 20 5 GFBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774887737 656566366 /nfs/dbraw/zinc/56/63/66/656566366.db2.gz GTEPPDTVUQSXGL-VIFPVBQESA-N -1 1 380.344 2.687 20 5 GFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000777532808 656827655 /nfs/dbraw/zinc/82/76/55/656827655.db2.gz LJOALBGCRAXGEB-FUXBKTLASA-N -1 1 386.191 2.854 20 5 GFBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc(Br)ccc1[O-] ZINC000783900847 657269788 /nfs/dbraw/zinc/26/97/88/657269788.db2.gz NCWUGDPKMDQABQ-UHFFFAOYSA-N -1 1 386.133 2.615 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000784477333 657312153 /nfs/dbraw/zinc/31/21/53/657312153.db2.gz ZIYLZSRUXFHALP-SNVBAGLBSA-N -1 1 390.751 2.938 20 5 GFBDMM Cc1c([N-]S(=O)(=O)C[C@H]2CCCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000795362670 658811444 /nfs/dbraw/zinc/81/14/44/658811444.db2.gz QLZVVKFTLTUPDR-JTQLQIEISA-N -1 1 393.259 2.834 20 5 GFBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccc21 ZINC000798227352 659086290 /nfs/dbraw/zinc/08/62/90/659086290.db2.gz OEXWSYMVWIPFJW-GFCCVEGCSA-N -1 1 384.772 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)ccc1Br ZINC000805143314 659750725 /nfs/dbraw/zinc/75/07/25/659750725.db2.gz GXXQDSJGBRDMNT-JTQLQIEISA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(Cl)cc1Cl ZINC000809807481 659939886 /nfs/dbraw/zinc/93/98/86/659939886.db2.gz PMICPIANTCMRDQ-UHFFFAOYSA-N -1 1 397.158 2.759 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)cc1Cl ZINC000809809541 659940499 /nfs/dbraw/zinc/94/04/99/659940499.db2.gz PYYXDKXZJLWQEA-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821448 659943345 /nfs/dbraw/zinc/94/33/45/659943345.db2.gz MPLQDZBINYPOLN-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832105 660016392 /nfs/dbraw/zinc/01/63/92/660016392.db2.gz LBTNGSFPHUWOPD-UHFFFAOYSA-N -1 1 388.785 2.991 20 5 GFBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000815014967 660101434 /nfs/dbraw/zinc/10/14/34/660101434.db2.gz DJLGGRAVPSKIRO-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020245 660102513 /nfs/dbraw/zinc/10/25/13/660102513.db2.gz VKAAJAGSTXPJHN-AWEZNQCLSA-N -1 1 382.841 2.853 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000815026052 660103593 /nfs/dbraw/zinc/10/35/93/660103593.db2.gz CASPKGWEJSPWIP-GFWSLJDESA-N -1 1 390.820 2.623 20 5 GFBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815030552 660104225 /nfs/dbraw/zinc/10/42/25/660104225.db2.gz OUPWZQPVRVFFNK-SNVBAGLBSA-N -1 1 394.852 2.854 20 5 GFBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815063118 660108534 /nfs/dbraw/zinc/10/85/34/660108534.db2.gz WDVUEUKGWJNCCW-AWEZNQCLSA-N -1 1 380.825 2.607 20 5 GFBDMM CC1(C(=O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000859356183 662156030 /nfs/dbraw/zinc/15/60/30/662156030.db2.gz TWUZDTMSEFUXJJ-UHFFFAOYSA-N -1 1 378.809 2.815 20 5 GFBDMM O=C([O-])CCN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000901984901 663753055 /nfs/dbraw/zinc/75/30/55/663753055.db2.gz WZFMPCXIWHESLX-UHFFFAOYSA-N -1 1 393.259 2.875 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(Cc2cccc(Br)c2)C1 ZINC000913094560 664322951 /nfs/dbraw/zinc/32/29/51/664322951.db2.gz LSUZNPBOBNGTRS-UHFFFAOYSA-N -1 1 392.209 2.773 20 5 GFBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000917730331 664489146 /nfs/dbraw/zinc/48/91/46/664489146.db2.gz ACGBGROGPTVZBJ-UHFFFAOYSA-N -1 1 388.760 2.959 20 5 GFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C ZINC000151415787 551413413 /nfs/dbraw/zinc/41/34/13/551413413.db2.gz TZEDQQCRECQPSC-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162966275 551614858 /nfs/dbraw/zinc/61/48/58/551614858.db2.gz SZFISISVHMLVDI-UHFFFAOYSA-N -1 1 379.316 2.697 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000175021780 552114338 /nfs/dbraw/zinc/11/43/38/552114338.db2.gz BWPNEWNKIGEGBO-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175959598 552133253 /nfs/dbraw/zinc/13/32/53/552133253.db2.gz UKSBBUOGTOXQNP-UHFFFAOYSA-N -1 1 382.829 2.634 20 5 GFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000182708485 552291315 /nfs/dbraw/zinc/29/13/15/552291315.db2.gz GYIXTVSQRMYNEM-UHFFFAOYSA-N -1 1 386.227 2.737 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183374169 552307191 /nfs/dbraw/zinc/30/71/91/552307191.db2.gz WEOZXJVCOMSWMU-NSHDSACASA-N -1 1 387.870 2.867 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1Cl ZINC000295227240 563236725 /nfs/dbraw/zinc/23/67/25/563236725.db2.gz YOMHLRNKIURFCQ-WCBMZHEXSA-N -1 1 383.253 2.731 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ncc[nH]1 ZINC000296057324 563272955 /nfs/dbraw/zinc/27/29/55/563272955.db2.gz OXWQMPNZXBKLKW-LBPRGKRZSA-N -1 1 376.797 2.786 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330649053 563515285 /nfs/dbraw/zinc/51/52/85/563515285.db2.gz GWOGNXDJIFEOOR-BONVTDFDSA-N -1 1 390.845 2.648 20 5 GFBDMM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000285738084 563534780 /nfs/dbraw/zinc/53/47/80/563534780.db2.gz OWXXHXYZKVXSNU-CYBMUJFWSA-N -1 1 393.197 2.734 20 5 GFBDMM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000416551085 563846876 /nfs/dbraw/zinc/84/68/76/563846876.db2.gz SFULBGUNDPJPGH-LLVKDONJSA-N -1 1 382.825 2.703 20 5 GFBDMM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507162462 564219583 /nfs/dbraw/zinc/21/95/83/564219583.db2.gz NSXSRQYBIJLZQK-GFCCVEGCSA-N -1 1 394.181 2.712 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000542719018 564322566 /nfs/dbraw/zinc/32/25/66/564322566.db2.gz XGXSIBJWOQVUTG-SSDOTTSWSA-N -1 1 385.193 2.946 20 5 GFBDMM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451858614 564359356 /nfs/dbraw/zinc/35/93/56/564359356.db2.gz RXNXDDMBRVQFAZ-FZMZJTMJSA-N -1 1 378.878 2.816 20 5 GFBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480738886 564486175 /nfs/dbraw/zinc/48/61/75/564486175.db2.gz IATFVTGYXVVYSS-SNVBAGLBSA-N -1 1 378.834 2.647 20 5 GFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Br ZINC000483316410 564563740 /nfs/dbraw/zinc/56/37/40/564563740.db2.gz PAPMXOXWJTYDCY-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM CN(C)C(=O)c1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccn1 ZINC000485549000 564619628 /nfs/dbraw/zinc/61/96/28/564619628.db2.gz QXGVBEDSBYKHDC-UHFFFAOYSA-N -1 1 399.226 2.768 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1Cl ZINC000525186885 564695184 /nfs/dbraw/zinc/69/51/84/564695184.db2.gz KRTHMFAPFBNNAA-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000525698053 564705633 /nfs/dbraw/zinc/70/56/33/564705633.db2.gz RHKCCHCKLUJARB-VIFPVBQESA-N -1 1 386.227 2.792 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)s1 ZINC000462132360 564821907 /nfs/dbraw/zinc/82/19/07/564821907.db2.gz QEVRQJKFKGYNGM-LLVKDONJSA-N -1 1 385.442 2.600 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000462401113 564837024 /nfs/dbraw/zinc/83/70/24/564837024.db2.gz OVJUJYINYGORBE-LLVKDONJSA-N -1 1 376.843 2.976 20 5 GFBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000530664310 564891274 /nfs/dbraw/zinc/89/12/74/564891274.db2.gz IKCSBAFMMNOANB-LLVKDONJSA-N -1 1 385.829 2.779 20 5 GFBDMM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000535266625 565009977 /nfs/dbraw/zinc/00/99/77/565009977.db2.gz YPTRABFBWZGDJX-CQSZACIVSA-N -1 1 381.841 2.713 20 5 GFBDMM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000504333382 565038061 /nfs/dbraw/zinc/03/80/61/565038061.db2.gz ZUNRGUMLIYDTRH-LLVKDONJSA-N -1 1 394.181 2.712 20 5 GFBDMM Cc1ccnc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000590167614 565179818 /nfs/dbraw/zinc/17/98/18/565179818.db2.gz ATTNOXCQFYWESJ-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(F)F ZINC000592067834 565251745 /nfs/dbraw/zinc/25/17/45/565251745.db2.gz VBSDEOFZMXWKSF-SSDOTTSWSA-N -1 1 387.202 2.927 20 5 GFBDMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021682 566111573 /nfs/dbraw/zinc/11/15/73/566111573.db2.gz AZEKZUYKGNUGPH-BXUZGUMPSA-N -1 1 384.841 2.691 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737262023 599305566 /nfs/dbraw/zinc/30/55/66/599305566.db2.gz BLYUIQDNNYXXNW-UHFFFAOYSA-N -1 1 377.704 2.832 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737262023 599305568 /nfs/dbraw/zinc/30/55/68/599305568.db2.gz BLYUIQDNNYXXNW-UHFFFAOYSA-N -1 1 377.704 2.832 20 5 GFBDMM O=C([O-])CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000547874021 599979118 /nfs/dbraw/zinc/97/91/18/599979118.db2.gz KGWZKOONQRKLEJ-ZDUSSCGKSA-N -1 1 382.369 2.618 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000826498862 607452629 /nfs/dbraw/zinc/45/26/29/607452629.db2.gz MMJFNAMYXPVBBS-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)cc1-c1nn[n-]n1 ZINC000826498862 607452631 /nfs/dbraw/zinc/45/26/31/607452631.db2.gz MMJFNAMYXPVBBS-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM Cc1ccc2nc(CNc3ccc(C(=O)N[C@@H](C)C(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832959705 600805015 /nfs/dbraw/zinc/80/50/15/600805015.db2.gz XXSDVUZBKGLIBG-NSHDSACASA-N -1 1 397.391 2.595 20 5 GFBDMM CCC[C@](C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000829194127 601007507 /nfs/dbraw/zinc/00/75/07/601007507.db2.gz VZGBJOJDYWDOGB-KRWDZBQOSA-N -1 1 392.437 2.890 20 5 GFBDMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598661586 601091970 /nfs/dbraw/zinc/09/19/70/601091970.db2.gz JDEYSXJZGQNGOI-BLLLJJGKSA-N -1 1 386.408 2.967 20 5 GFBDMM O=C([O-])[C@@]1(NC(=O)c2csc([N+](=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000833128895 601733519 /nfs/dbraw/zinc/73/35/19/601733519.db2.gz PIUONHZWCABHES-GOSISDBHSA-N -1 1 389.433 2.506 20 5 GFBDMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000825397987 604450488 /nfs/dbraw/zinc/45/04/88/604450488.db2.gz RYHNRSRXXGLEMB-JTQLQIEISA-N -1 1 383.364 2.730 20 5 GFBDMM Cc1ccnc(-c2cccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)n1 ZINC000822374369 606711097 /nfs/dbraw/zinc/71/10/97/606711097.db2.gz SOBXUGZPVPZQTM-UHFFFAOYSA-N -1 1 375.352 2.679 20 5 GFBDMM Cc1ccnc(-c2cccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)n1 ZINC000822374369 606711098 /nfs/dbraw/zinc/71/10/98/606711098.db2.gz SOBXUGZPVPZQTM-UHFFFAOYSA-N -1 1 375.352 2.679 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820280413 606712762 /nfs/dbraw/zinc/71/27/62/606712762.db2.gz FKTBJJXLIDEPCJ-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820280413 606712763 /nfs/dbraw/zinc/71/27/63/606712763.db2.gz FKTBJJXLIDEPCJ-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM Cc1ccc(N2CCC[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000822242677 606714205 /nfs/dbraw/zinc/71/42/05/606714205.db2.gz UHTYMMIXAVEORY-CYBMUJFWSA-N -1 1 380.412 2.559 20 5 GFBDMM Cc1ccc(N2CCC[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822242677 606714206 /nfs/dbraw/zinc/71/42/06/606714206.db2.gz UHTYMMIXAVEORY-CYBMUJFWSA-N -1 1 380.412 2.559 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(Nc2ccccc2)s1 ZINC000823630299 607163934 /nfs/dbraw/zinc/16/39/34/607163934.db2.gz WKBQSTXPWDVWPD-UHFFFAOYSA-N -1 1 399.421 2.916 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(Nc2ccccc2)s1 ZINC000823630299 607163936 /nfs/dbraw/zinc/16/39/36/607163936.db2.gz WKBQSTXPWDVWPD-UHFFFAOYSA-N -1 1 399.421 2.916 20 5 GFBDMM O=[N+]([O-])c1cccc(-c2noc(COc3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826499630 607866444 /nfs/dbraw/zinc/86/64/44/607866444.db2.gz QGGSLFMHEADBCE-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM O=[N+]([O-])c1cccc(-c2noc(COc3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826499630 607866445 /nfs/dbraw/zinc/86/64/45/607866445.db2.gz QGGSLFMHEADBCE-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM CC(C)c1ocnc1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000824371553 608162872 /nfs/dbraw/zinc/16/28/72/608162872.db2.gz JVCBRBPIODHYHP-UHFFFAOYSA-N -1 1 377.748 2.792 20 5 GFBDMM COC(=O)CCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829724780 660610224 /nfs/dbraw/zinc/61/02/24/660610224.db2.gz XUZASCONFJVMAR-UHFFFAOYSA-N -1 1 399.252 2.913 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)Cn1cccn1 ZINC000830012788 660630005 /nfs/dbraw/zinc/63/00/05/660630005.db2.gz FLODBLKUKGGFET-SECBINFHSA-N -1 1 393.252 2.713 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](O)C(F)F ZINC000831896744 660734324 /nfs/dbraw/zinc/73/43/24/660734324.db2.gz WVWJYXNFBCECHS-XCBNKYQSSA-N -1 1 393.195 2.585 20 5 GFBDMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000832179696 660760869 /nfs/dbraw/zinc/76/08/69/660760869.db2.gz CPYOLTBGWZVHKB-BXUZGUMPSA-N -1 1 376.862 2.978 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)nc1 ZINC000125239852 654789839 /nfs/dbraw/zinc/78/98/39/654789839.db2.gz DPKLTHXOIHHCHR-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127789125 654834118 /nfs/dbraw/zinc/83/41/18/654834118.db2.gz WPRCTSPJXYJBMD-RISCZKNCSA-N -1 1 376.862 2.858 20 5 GFBDMM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101571872 655044623 /nfs/dbraw/zinc/04/46/23/655044623.db2.gz IGYOOPFESTZLIO-UHFFFAOYSA-N -1 1 383.813 2.685 20 5 GFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000154099473 655073220 /nfs/dbraw/zinc/07/32/20/655073220.db2.gz WALLGZFSPZWVRA-UHFFFAOYSA-N -1 1 375.328 2.993 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157918867 655103390 /nfs/dbraw/zinc/10/33/90/655103390.db2.gz PQRZZLXRZAYIDE-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000112090532 655182151 /nfs/dbraw/zinc/18/21/51/655182151.db2.gz ZFLAGCZMDLQSIE-JTQLQIEISA-N -1 1 383.813 2.554 20 5 GFBDMM Cc1c(C(=O)Nc2nc(Br)ccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121609406 655350369 /nfs/dbraw/zinc/35/03/69/655350369.db2.gz DTBYWXXKIKLQKS-UHFFFAOYSA-N -1 1 397.141 2.927 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000731040452 655580993 /nfs/dbraw/zinc/58/09/93/655580993.db2.gz TZYBQZAOGRVVJR-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762529100 656046604 /nfs/dbraw/zinc/04/66/04/656046604.db2.gz ZXBFWUUFGLHYAC-SUZMYJTESA-N -1 1 394.927 2.906 20 5 GFBDMM CCOC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000788713313 657777761 /nfs/dbraw/zinc/77/77/61/657777761.db2.gz KAUISMWRWPFXRK-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000790385768 657966106 /nfs/dbraw/zinc/96/61/06/657966106.db2.gz JRMIRHSFOPQDDB-UHFFFAOYSA-N -1 1 380.813 2.646 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795804941 658853334 /nfs/dbraw/zinc/85/33/34/658853334.db2.gz KBTIIHKLSWHYHW-ZETCQYMHSA-N -1 1 381.223 2.821 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000795845884 658857605 /nfs/dbraw/zinc/85/76/05/658857605.db2.gz YAAHBQVPADRKAK-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000795959045 658876724 /nfs/dbraw/zinc/87/67/24/658876724.db2.gz GJYHGHQPRLFFGX-UHFFFAOYSA-N -1 1 399.263 2.670 20 5 GFBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817551 659941664 /nfs/dbraw/zinc/94/16/64/659941664.db2.gz FKNLYQCDHHJNIS-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818802 659942283 /nfs/dbraw/zinc/94/22/83/659942283.db2.gz JPQPTDDHDWBCLU-GFCCVEGCSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(Cl)cc1Cl ZINC000809819530 659942340 /nfs/dbraw/zinc/94/23/40/659942340.db2.gz WIDBKDGRPCHLOO-UHFFFAOYSA-N -1 1 383.253 2.875 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)cc1Cl ZINC000809818864 659942402 /nfs/dbraw/zinc/94/24/02/659942402.db2.gz KNJHEYOPFPURBW-UHFFFAOYSA-N -1 1 380.825 2.751 20 5 GFBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819620 659942690 /nfs/dbraw/zinc/94/26/90/659942690.db2.gz BOBXZRGHCZGRCF-UHFFFAOYSA-N -1 1 382.841 2.997 20 5 GFBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000809830459 659945962 /nfs/dbraw/zinc/94/59/62/659945962.db2.gz YCJYVNLFPMQNRO-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000809830461 659945966 /nfs/dbraw/zinc/94/59/66/659945966.db2.gz YCJYVNLFPMQNRO-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000809832902 659946905 /nfs/dbraw/zinc/94/69/05/659946905.db2.gz UVSHLIORWRWHBH-ZIAGYGMSSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845706 659948699 /nfs/dbraw/zinc/94/86/99/659948699.db2.gz SSMCHJMLIVYUIV-RKDXNWHRSA-N -1 1 383.253 2.853 20 5 GFBDMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814982693 660099907 /nfs/dbraw/zinc/09/99/07/660099907.db2.gz LIMNGSFYOKFQKY-UHFFFAOYSA-N -1 1 396.824 2.789 20 5 GFBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815008293 660100754 /nfs/dbraw/zinc/10/07/54/660100754.db2.gz BFMHWNQQRASXQY-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014749 660101466 /nfs/dbraw/zinc/10/14/66/660101466.db2.gz ACXHYRWPPIZOQW-ZETCQYMHSA-N -1 1 391.808 2.902 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](O)C(C)C ZINC000841561889 661302002 /nfs/dbraw/zinc/30/20/02/661302002.db2.gz QQFDLUKHAQZEBY-SKDRFNHKSA-N -1 1 385.269 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c(Cl)cc1Cl ZINC000849469470 661732150 /nfs/dbraw/zinc/73/21/50/661732150.db2.gz WBSHQJIQPYGJSH-UHFFFAOYSA-N -1 1 395.264 2.731 20 5 GFBDMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859291824 662150440 /nfs/dbraw/zinc/15/04/40/662150440.db2.gz MNJKEFAYILMODR-UHLUBPPHSA-N -1 1 381.237 2.747 20 5 GFBDMM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333874 551186372 /nfs/dbraw/zinc/18/63/72/551186372.db2.gz YXKPVNLXNUMVJR-JSGCOSHPSA-N -1 1 381.479 2.770 20 5 GFBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000125266611 551321479 /nfs/dbraw/zinc/32/14/79/551321479.db2.gz KXPUEAYKDHCWBD-NSHDSACASA-N -1 1 376.843 2.630 20 5 GFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000128197844 551347287 /nfs/dbraw/zinc/34/72/87/551347287.db2.gz GLIBZRBNLDGKHI-OCCSQVGLSA-N -1 1 381.479 2.598 20 5 GFBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000152828747 551440722 /nfs/dbraw/zinc/44/07/22/551440722.db2.gz GCMUKMASGLEVCK-UHFFFAOYSA-N -1 1 399.643 2.730 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157892476 551544261 /nfs/dbraw/zinc/54/42/61/551544261.db2.gz DKUOOOWRBAAZJU-JQWIXIFHSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)ccc1Cl ZINC000163199602 551617209 /nfs/dbraw/zinc/61/72/09/551617209.db2.gz SAIXIYGISIRRQC-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000173542695 552087761 /nfs/dbraw/zinc/08/77/61/552087761.db2.gz DCHMQVUXDDQUOG-QWHCGFSZSA-N -1 1 384.845 2.907 20 5 GFBDMM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000181850331 552269541 /nfs/dbraw/zinc/26/95/41/552269541.db2.gz DLEVABDDRNLVEF-UHFFFAOYSA-N -1 1 395.275 2.841 20 5 GFBDMM O=C(NCC1(c2ccccc2Br)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185723327 552369432 /nfs/dbraw/zinc/36/94/32/552369432.db2.gz MUSRJQWXOBFMDK-UHFFFAOYSA-N -1 1 392.209 2.920 20 5 GFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602351 563852144 /nfs/dbraw/zinc/85/21/44/563852144.db2.gz WZRZOYUUUZGYGS-IONNQARKSA-N -1 1 381.273 2.530 20 5 GFBDMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295801982 563263266 /nfs/dbraw/zinc/26/32/66/563263266.db2.gz BAXKAQUFXDETJI-BDAKNGLRSA-N -1 1 383.253 2.853 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ncc[nH]1 ZINC000296057313 563272822 /nfs/dbraw/zinc/27/28/22/563272822.db2.gz OXWQMPNZXBKLKW-GFCCVEGCSA-N -1 1 376.797 2.786 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290831722 563723224 /nfs/dbraw/zinc/72/32/24/563723224.db2.gz UOOVZGHCHQARLF-UHFFFAOYSA-N -1 1 398.865 2.578 20 5 GFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cccc(Br)c1 ZINC000440324420 563738990 /nfs/dbraw/zinc/73/89/90/563738990.db2.gz GCDYWJAOTQKDKO-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451667949 564338633 /nfs/dbraw/zinc/33/86/33/564338633.db2.gz ZOCOSNKHWWRLRX-ZDUSSCGKSA-N -1 1 384.841 2.784 20 5 GFBDMM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567437935 564371460 /nfs/dbraw/zinc/37/14/60/564371460.db2.gz MLKJGSQTAVBJBW-RYUDHWBXSA-N -1 1 378.182 2.744 20 5 GFBDMM C[C@H]([C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000569506330 564466936 /nfs/dbraw/zinc/46/69/36/564466936.db2.gz JZBUOQOPGBEUAS-UPONEAKYSA-N -1 1 397.236 2.679 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)s1 ZINC000480414846 564471845 /nfs/dbraw/zinc/47/18/45/564471845.db2.gz VJUPZPAXZNRTFI-UHFFFAOYSA-N -1 1 381.479 2.851 20 5 GFBDMM CS(=O)(=O)[N-]c1ccc(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000518937782 564565784 /nfs/dbraw/zinc/56/57/84/564565784.db2.gz OBWHANXGANJEJY-UHFFFAOYSA-N -1 1 378.288 2.567 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000553424119 564720750 /nfs/dbraw/zinc/72/07/50/564720750.db2.gz OALWEWIBCDWFEL-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000554857052 564775423 /nfs/dbraw/zinc/77/54/23/564775423.db2.gz GHUHLSWRNAIDHM-UHFFFAOYSA-N -1 1 395.198 2.851 20 5 GFBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000588144368 565128907 /nfs/dbraw/zinc/12/89/07/565128907.db2.gz GPHQYYFUIJDMAP-JTQLQIEISA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000609134330 566031241 /nfs/dbraw/zinc/03/12/41/566031241.db2.gz WXXHSHUDPZXZSK-LLVKDONJSA-N -1 1 397.250 2.976 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(C(F)(F)F)cc1 ZINC000610211876 566071337 /nfs/dbraw/zinc/07/13/37/566071337.db2.gz DYMKYGIWQSSJMA-UHFFFAOYSA-N -1 1 375.328 2.530 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1-c1nn[n-]n1 ZINC000826497945 607452349 /nfs/dbraw/zinc/45/23/49/607452349.db2.gz ACARVGRMIWOUOY-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM C[C@H](CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000827443071 601381514 /nfs/dbraw/zinc/38/15/14/601381514.db2.gz YBMBWQQLCHRVBA-GHMZBOCLSA-N -1 1 392.437 2.698 20 5 GFBDMM Cc1cc(N2CCC(CCN3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584055765 602315395 /nfs/dbraw/zinc/31/53/95/602315395.db2.gz QJBDKYWLTBMSCD-UHFFFAOYSA-N -1 1 377.441 2.540 20 5 GFBDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000832868655 602387510 /nfs/dbraw/zinc/38/75/10/602387510.db2.gz QWRKEQBGGBPHEC-UHFFFAOYSA-N -1 1 387.373 2.950 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000826498977 607567652 /nfs/dbraw/zinc/56/76/52/607567652.db2.gz QSVQTTOVBVICCQ-CQSZACIVSA-N -1 1 380.364 2.845 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826498977 607567653 /nfs/dbraw/zinc/56/76/53/607567653.db2.gz QSVQTTOVBVICCQ-CQSZACIVSA-N -1 1 380.364 2.845 20 5 GFBDMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596607 606704911 /nfs/dbraw/zinc/70/49/11/606704911.db2.gz PNWUCBDXDAAPEO-WMLDXEAASA-N -1 1 395.423 2.774 20 5 GFBDMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596607 606704913 /nfs/dbraw/zinc/70/49/13/606704913.db2.gz PNWUCBDXDAAPEO-WMLDXEAASA-N -1 1 395.423 2.774 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000823625168 606707669 /nfs/dbraw/zinc/70/76/69/606707669.db2.gz RWGYTXOYPIRESI-UHFFFAOYSA-N -1 1 396.342 2.619 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000823625168 606707670 /nfs/dbraw/zinc/70/76/70/606707670.db2.gz RWGYTXOYPIRESI-UHFFFAOYSA-N -1 1 396.342 2.619 20 5 GFBDMM Cc1ccnc(-c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)n1 ZINC000822374307 606711421 /nfs/dbraw/zinc/71/14/21/606711421.db2.gz QDVVWOMXROEFNM-UHFFFAOYSA-N -1 1 375.352 2.679 20 5 GFBDMM Cc1ccnc(-c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)n1 ZINC000822374307 606711426 /nfs/dbraw/zinc/71/14/26/606711426.db2.gz QDVVWOMXROEFNM-UHFFFAOYSA-N -1 1 375.352 2.679 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821679241 606712238 /nfs/dbraw/zinc/71/22/38/606712238.db2.gz YWYHJMLZKFYYKP-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821679241 606712239 /nfs/dbraw/zinc/71/22/39/606712239.db2.gz YWYHJMLZKFYYKP-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM CN(Cc1ccccc1Br)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821614498 607162756 /nfs/dbraw/zinc/16/27/56/607162756.db2.gz IQNYXBFJSZALBZ-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM CN(Cc1ccccc1Br)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821614498 607162757 /nfs/dbraw/zinc/16/27/57/607162757.db2.gz IQNYXBFJSZALBZ-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Br)cc1F ZINC000823625014 660376737 /nfs/dbraw/zinc/37/67/37/660376737.db2.gz NYKORSNSFQCNSU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Br)cc1F ZINC000823625014 660376738 /nfs/dbraw/zinc/37/67/38/660376738.db2.gz NYKORSNSFQCNSU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)Cn1cccn1 ZINC000830012794 660630091 /nfs/dbraw/zinc/63/00/91/660630091.db2.gz FLODBLKUKGGFET-VIFPVBQESA-N -1 1 393.252 2.713 20 5 GFBDMM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)co1 ZINC000832478818 660782291 /nfs/dbraw/zinc/78/22/91/660782291.db2.gz REXJJMZHVMNNBI-UHFFFAOYSA-N -1 1 380.209 2.931 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000028196580 654571129 /nfs/dbraw/zinc/57/11/29/654571129.db2.gz QZHPQSJWECORGR-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM CCn1c(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[n-]c1=S ZINC000066636201 654910141 /nfs/dbraw/zinc/91/01/41/654910141.db2.gz GUSPKJKFXLADSH-UHFFFAOYSA-N -1 1 383.455 2.529 20 5 GFBDMM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N2CCCC2)o1 ZINC000101580198 655045396 /nfs/dbraw/zinc/04/53/96/655045396.db2.gz WTJVVJJTJUDPOC-GFCCVEGCSA-N -1 1 385.467 2.673 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157918719 655103290 /nfs/dbraw/zinc/10/32/90/655103290.db2.gz PQRZZLXRZAYIDE-CMPLNLGQSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)C ZINC000734003301 655625266 /nfs/dbraw/zinc/62/52/66/655625266.db2.gz JIHNMCANZIKXQP-LBPRGKRZSA-N -1 1 392.861 2.893 20 5 GFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000742321563 655715738 /nfs/dbraw/zinc/71/57/38/655715738.db2.gz NYGDBEDWGBHDRV-UHFFFAOYSA-N -1 1 385.785 2.677 20 5 GFBDMM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2c1 ZINC000745944976 655756168 /nfs/dbraw/zinc/75/61/68/655756168.db2.gz TZUDTZUEGHROKN-UHFFFAOYSA-N -1 1 380.813 2.911 20 5 GFBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000745944976 655756170 /nfs/dbraw/zinc/75/61/70/655756170.db2.gz TZUDTZUEGHROKN-UHFFFAOYSA-N -1 1 380.813 2.911 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1c(F)cccc1Cl ZINC000751474718 655829200 /nfs/dbraw/zinc/82/92/00/655829200.db2.gz KYSLTUHGAAHLFU-WPPNPWJKSA-N -1 1 394.833 2.849 20 5 GFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000768883457 656258676 /nfs/dbraw/zinc/25/86/76/656258676.db2.gz KSACFGSXGCLBLM-UHFFFAOYSA-N -1 1 377.350 2.694 20 5 GFBDMM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841519943 661286144 /nfs/dbraw/zinc/28/61/44/661286144.db2.gz BICHPRHDOXEORS-UHFFFAOYSA-N -1 1 394.240 2.553 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cc(F)c(F)c(F)c1 ZINC000779950435 656969675 /nfs/dbraw/zinc/96/96/75/656969675.db2.gz NQVOBMZHAARADP-UHFFFAOYSA-N -1 1 378.303 2.672 20 5 GFBDMM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865366 657033987 /nfs/dbraw/zinc/03/39/87/657033987.db2.gz INBYVIFWYLNVOR-VIFPVBQESA-N -1 1 382.269 2.664 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2nccs2)c(Cl)cc1Cl ZINC000791421421 658094959 /nfs/dbraw/zinc/09/49/59/658094959.db2.gz LSCLPYLMSRQPSG-UHFFFAOYSA-N -1 1 382.250 2.879 20 5 GFBDMM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795866788 658864070 /nfs/dbraw/zinc/86/40/70/658864070.db2.gz JMIYQDSJJAHIPT-UHFFFAOYSA-N -1 1 399.238 2.590 20 5 GFBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000805109681 659741500 /nfs/dbraw/zinc/74/15/00/659741500.db2.gz HTGNVWSBISUQGU-LLVKDONJSA-N -1 1 381.223 2.963 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000808351281 659891776 /nfs/dbraw/zinc/89/17/76/659891776.db2.gz ORJYXCMQTLSFNJ-GFCCVEGCSA-N -1 1 386.788 2.669 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)cc1Cl ZINC000809818518 659942067 /nfs/dbraw/zinc/94/20/67/659942067.db2.gz FEKGVSFRDGXYQQ-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H]2CCO[C@H]21 ZINC000809820930 659942953 /nfs/dbraw/zinc/94/29/53/659942953.db2.gz FMVNBRAXDCDAQA-HAGUPOPPSA-N -1 1 395.264 2.993 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000809820932 659943063 /nfs/dbraw/zinc/94/30/63/659943063.db2.gz FMVNBRAXDCDAQA-YLJLNXRRSA-N -1 1 395.264 2.993 20 5 GFBDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822207 659943257 /nfs/dbraw/zinc/94/32/57/659943257.db2.gz YSPQMKCMSSUGAM-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829698 659946037 /nfs/dbraw/zinc/94/60/37/659946037.db2.gz KMINISZXRZMRSK-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)cc1Cl ZINC000809847297 659948930 /nfs/dbraw/zinc/94/89/30/659948930.db2.gz PJVGELGZMQLUSH-UHFFFAOYSA-N -1 1 396.734 2.593 20 5 GFBDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000811725583 660014853 /nfs/dbraw/zinc/01/48/53/660014853.db2.gz CWMSCBCQYZLPST-UHFFFAOYSA-N -1 1 378.334 2.522 20 5 GFBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000815013961 660101413 /nfs/dbraw/zinc/10/14/13/660101413.db2.gz FANXULJYUJXWJM-UHFFFAOYSA-N -1 1 393.849 2.982 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000815017402 660101863 /nfs/dbraw/zinc/10/18/63/660101863.db2.gz KINSSDNPJYWXFR-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C1CCCCC1 ZINC000815022506 660102937 /nfs/dbraw/zinc/10/29/37/660102937.db2.gz PKBDVFHOJUPUKL-LBPRGKRZSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000815027786 660103823 /nfs/dbraw/zinc/10/38/23/660103823.db2.gz JLNXMQKEVYCVJV-VIFPVBQESA-N -1 1 378.809 2.767 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000815039588 660105942 /nfs/dbraw/zinc/10/59/42/660105942.db2.gz ZDFYQMOTHJUCMC-HNNXBMFYSA-N -1 1 394.852 2.997 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H](C)O1 ZINC000841561868 661301747 /nfs/dbraw/zinc/30/17/47/661301747.db2.gz ZPDMLZVBDCOTLR-IWSPIJDZSA-N -1 1 383.253 2.993 20 5 GFBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000845968487 661512076 /nfs/dbraw/zinc/51/20/76/661512076.db2.gz MQMDXOXONAQJNI-WCBMZHEXSA-N -1 1 385.269 2.977 20 5 GFBDMM COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br ZINC000031931993 551130658 /nfs/dbraw/zinc/13/06/58/551130658.db2.gz AZECJKKCGZUFJB-MRVPVSSYSA-N -1 1 396.197 2.545 20 5 GFBDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000063878156 551184950 /nfs/dbraw/zinc/18/49/50/551184950.db2.gz LWMBWRLBNYXGOJ-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM CC(C)Oc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000158947957 551558884 /nfs/dbraw/zinc/55/88/84/551558884.db2.gz QWBCIYRHPYAFCO-UHFFFAOYSA-N -1 1 385.829 2.909 20 5 GFBDMM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000167635592 551633693 /nfs/dbraw/zinc/63/36/93/551633693.db2.gz QSCIONLNFCBNHO-UHFFFAOYSA-N -1 1 386.861 2.585 20 5 GFBDMM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175133870 552116173 /nfs/dbraw/zinc/11/61/73/552116173.db2.gz SUQUPYUMNVVBSW-RISCZKNCSA-N -1 1 376.862 2.978 20 5 GFBDMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193464633 552994101 /nfs/dbraw/zinc/99/41/01/552994101.db2.gz HFBSABMQKGFNER-VIFPVBQESA-N -1 1 380.198 2.819 20 5 GFBDMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1 ZINC000295190813 563233973 /nfs/dbraw/zinc/23/39/73/563233973.db2.gz RBSBULLZDNXRHN-LURJTMIESA-N -1 1 394.240 2.622 20 5 GFBDMM O=C(NCCc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303004479 563432330 /nfs/dbraw/zinc/43/23/30/563432330.db2.gz VLYSTYKUTLCGOA-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000433444297 563613036 /nfs/dbraw/zinc/61/30/36/563613036.db2.gz SMEUGQNQWOUCJY-CYBMUJFWSA-N -1 1 381.479 2.851 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c(Cl)cc1Cl ZINC000289736991 563685223 /nfs/dbraw/zinc/68/52/23/563685223.db2.gz FOURQKXKXRRIGY-GZMMTYOYSA-N -1 1 383.253 2.731 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292038561 563771279 /nfs/dbraw/zinc/77/12/79/563771279.db2.gz ZBTRVBUXZYILOO-PSLIRLAXSA-N -1 1 386.426 2.776 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000538285099 564187103 /nfs/dbraw/zinc/18/71/03/564187103.db2.gz QXVCNFCHMYNXON-LBPRGKRZSA-N -1 1 383.813 2.835 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000538285098 564187398 /nfs/dbraw/zinc/18/73/98/564187398.db2.gz QXVCNFCHMYNXON-GFCCVEGCSA-N -1 1 383.813 2.835 20 5 GFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(I)c([O-])c1 ZINC000544851847 564401951 /nfs/dbraw/zinc/40/19/51/564401951.db2.gz CPYRDLFYNXZUQG-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM C[C@H](CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548214007 564537811 /nfs/dbraw/zinc/53/78/11/564537811.db2.gz NKJHMXVIBIAVGR-SSDOTTSWSA-N -1 1 385.225 2.681 20 5 GFBDMM O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000548521727 564555583 /nfs/dbraw/zinc/55/55/83/564555583.db2.gz YGZUKVJADQCTCK-SNVBAGLBSA-N -1 1 390.826 2.804 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525688070 564705695 /nfs/dbraw/zinc/70/56/95/564705695.db2.gz NMOVVMPUIXBZAU-RYUDHWBXSA-N -1 1 398.238 2.587 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000530666413 564891311 /nfs/dbraw/zinc/89/13/11/564891311.db2.gz GFUULHZQUKRKDH-UHFFFAOYSA-N -1 1 380.813 2.646 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 ZINC000533174084 564956978 /nfs/dbraw/zinc/95/69/78/564956978.db2.gz IIARZKYFGSEHFX-UHFFFAOYSA-N -1 1 393.252 2.639 20 5 GFBDMM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000608838898 566025574 /nfs/dbraw/zinc/02/55/74/566025574.db2.gz COKLGDBDUJULQD-DGCLKSJQSA-N -1 1 378.182 2.744 20 5 GFBDMM Cc1occc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609134366 566030955 /nfs/dbraw/zinc/03/09/55/566030955.db2.gz KTPGYODWCFASIP-UHFFFAOYSA-N -1 1 375.200 2.737 20 5 GFBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000822122575 607255717 /nfs/dbraw/zinc/25/57/17/607255717.db2.gz OKUXPBGMMJDETA-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc12 ZINC000738372125 598393980 /nfs/dbraw/zinc/39/39/80/598393980.db2.gz OFWBYWMXNRVHDV-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825654293 607448214 /nfs/dbraw/zinc/44/82/14/607448214.db2.gz VSLGMEHGTNKPFS-UHFFFAOYSA-N -1 1 395.423 2.500 20 5 GFBDMM CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825654293 607448216 /nfs/dbraw/zinc/44/82/16/607448216.db2.gz VSLGMEHGTNKPFS-UHFFFAOYSA-N -1 1 395.423 2.500 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000826498632 607452611 /nfs/dbraw/zinc/45/26/11/607452611.db2.gz DBWNGHRNGREIEK-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000826498632 607452613 /nfs/dbraw/zinc/45/26/13/607452613.db2.gz DBWNGHRNGREIEK-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825894703 603560848 /nfs/dbraw/zinc/56/08/48/603560848.db2.gz JFWHMVLPFTWHCS-KPZWWZAWSA-N -1 1 389.412 2.951 20 5 GFBDMM CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC(NC(=O)[O-])CC1 ZINC000828417242 603836633 /nfs/dbraw/zinc/83/66/33/603836633.db2.gz YGJXVAGHMAOMQL-UHFFFAOYSA-N -1 1 375.385 2.655 20 5 GFBDMM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823298967 606511445 /nfs/dbraw/zinc/51/14/45/606511445.db2.gz ATMDAZKPLKHKTJ-UHFFFAOYSA-N -1 1 382.308 2.690 20 5 GFBDMM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823298967 606511446 /nfs/dbraw/zinc/51/14/46/606511446.db2.gz ATMDAZKPLKHKTJ-UHFFFAOYSA-N -1 1 382.308 2.690 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nn[n-]n1 ZINC000823634483 606645230 /nfs/dbraw/zinc/64/52/30/606645230.db2.gz HKOJPLMQCALDHA-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM COc1cccc(C=C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000821863896 606724747 /nfs/dbraw/zinc/72/47/47/606724747.db2.gz QMOXJFNZODCIBJ-UHFFFAOYSA-N -1 1 393.407 2.862 20 5 GFBDMM COc1cccc(C=C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000821863896 606724749 /nfs/dbraw/zinc/72/47/49/606724749.db2.gz QMOXJFNZODCIBJ-UHFFFAOYSA-N -1 1 393.407 2.862 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Br)s1 ZINC000823624981 607168674 /nfs/dbraw/zinc/16/86/74/607168674.db2.gz NGUBJCPYDSMJAK-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Br)s1 ZINC000823624981 607168676 /nfs/dbraw/zinc/16/86/76/607168676.db2.gz NGUBJCPYDSMJAK-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826453388 608845386 /nfs/dbraw/zinc/84/53/86/608845386.db2.gz JCGJQWOGNBTBIX-UHFFFAOYSA-N -1 1 395.198 2.851 20 5 GFBDMM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826453388 608845387 /nfs/dbraw/zinc/84/53/87/608845387.db2.gz JCGJQWOGNBTBIX-UHFFFAOYSA-N -1 1 395.198 2.851 20 5 GFBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830860052 660683368 /nfs/dbraw/zinc/68/33/68/660683368.db2.gz QZZLBEPLGDPGTE-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000032087393 654599804 /nfs/dbraw/zinc/59/98/04/654599804.db2.gz GARISLIRQAKZQL-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000047671478 654699333 /nfs/dbraw/zinc/69/93/33/654699333.db2.gz AOQXLUYGMRPJTP-UHFFFAOYSA-N -1 1 376.312 2.814 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC000071091554 654999299 /nfs/dbraw/zinc/99/92/99/654999299.db2.gz GYSYCGJVUINGCJ-UHFFFAOYSA-N -1 1 381.797 2.852 20 5 GFBDMM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000158945934 655110467 /nfs/dbraw/zinc/11/04/67/655110467.db2.gz ZJQPULMXKYQBFV-UHFFFAOYSA-N -1 1 385.829 2.909 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1C ZINC000115313031 655234423 /nfs/dbraw/zinc/23/44/23/655234423.db2.gz QVXKSPIDWHFFCX-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000116711855 655252002 /nfs/dbraw/zinc/25/20/02/655252002.db2.gz CHWVAQIKSVNENY-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2C1 ZINC000725820063 655526852 /nfs/dbraw/zinc/52/68/52/655526852.db2.gz KTTAWKJOEIKFSZ-LLVKDONJSA-N -1 1 382.825 2.778 20 5 GFBDMM Cc1ncsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742292393 655714263 /nfs/dbraw/zinc/71/42/63/655714263.db2.gz DWJXDRBQUCKOTG-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751390821 655826239 /nfs/dbraw/zinc/82/62/39/655826239.db2.gz HBOMXNRFQRWKGC-XPTSAGLGSA-N -1 1 388.804 2.788 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000790445582 657981421 /nfs/dbraw/zinc/98/14/21/657981421.db2.gz LIWOZXNSBJYCIH-UHFFFAOYSA-N -1 1 393.755 2.723 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000795896974 658869137 /nfs/dbraw/zinc/86/91/37/658869137.db2.gz QSICKTSUTDOZJL-UHFFFAOYSA-N -1 1 393.234 2.965 20 5 GFBDMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800929545 659351531 /nfs/dbraw/zinc/35/15/31/659351531.db2.gz SHOMGNZHBUNMKN-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM COc1cnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)c1 ZINC000808576385 659899202 /nfs/dbraw/zinc/89/92/02/659899202.db2.gz WUPQSBPJFKGQAS-UHFFFAOYSA-N -1 1 394.228 2.623 20 5 GFBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809809095 659940540 /nfs/dbraw/zinc/94/05/40/659940540.db2.gz QZICZCJQQIKYKR-UHFFFAOYSA-N -1 1 389.748 2.774 20 5 GFBDMM C[C@@](CO)([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000809818968 659942309 /nfs/dbraw/zinc/94/23/09/659942309.db2.gz LMQOITYTKQJWLD-HNNXBMFYSA-N -1 1 388.804 2.573 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CO)CCCCC2)cc1Cl ZINC000809826194 659944718 /nfs/dbraw/zinc/94/47/18/659944718.db2.gz ZMNOKTCSDRSAOH-UHFFFAOYSA-N -1 1 380.825 2.608 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Cl ZINC000809826616 659944744 /nfs/dbraw/zinc/94/47/44/659944744.db2.gz LCQZLJRSMAQYKE-XTWCZFFVSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000809828061 659945331 /nfs/dbraw/zinc/94/53/31/659945331.db2.gz HFABGMHMUWJVPE-WZYXQFPFSA-N -1 1 390.820 2.623 20 5 GFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000809850712 659949283 /nfs/dbraw/zinc/94/92/83/659949283.db2.gz DILWXGKRSKORFD-GFCCVEGCSA-N -1 1 376.481 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCC2(O)CCC2)c1Cl ZINC000817145723 660183200 /nfs/dbraw/zinc/18/32/00/660183200.db2.gz LFWIVMMDFWOTIX-UHFFFAOYSA-N -1 1 383.253 2.875 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848489974 661655152 /nfs/dbraw/zinc/65/51/52/661655152.db2.gz UGZWLIFZFJEMRS-VIFPVBQESA-N -1 1 378.834 2.504 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1(F)F ZINC000849461518 661730303 /nfs/dbraw/zinc/73/03/03/661730303.db2.gz ZILNFSROFKAQBV-SNVBAGLBSA-N -1 1 385.186 2.681 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCCC1 ZINC000859353938 662155756 /nfs/dbraw/zinc/15/57/56/662155756.db2.gz OQGSHRGXIKPZPI-UHFFFAOYSA-N -1 1 381.237 2.939 20 5 GFBDMM CNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000916120159 664451062 /nfs/dbraw/zinc/45/10/62/664451062.db2.gz TYTODPMUNUILMB-UHFFFAOYSA-N -1 1 380.451 2.620 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000921585901 664555706 /nfs/dbraw/zinc/55/57/06/664555706.db2.gz HZLIFDXNPOXUBR-GZMMTYOYSA-N -1 1 386.323 2.512 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000921585904 664555920 /nfs/dbraw/zinc/55/59/20/664555920.db2.gz HZLIFDXNPOXUBR-LDYMZIIASA-N -1 1 386.323 2.512 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)s1 ZINC000132861375 551379896 /nfs/dbraw/zinc/37/98/96/551379896.db2.gz SFLGRNULECGMQW-UHFFFAOYSA-N -1 1 398.249 2.715 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)s1 ZINC000154608260 551478833 /nfs/dbraw/zinc/47/88/33/551478833.db2.gz ILMNQDNFYKIUDP-UHFFFAOYSA-N -1 1 376.843 2.805 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000171416368 551654996 /nfs/dbraw/zinc/65/49/96/551654996.db2.gz ZBAZUMAHXDWQIC-UHFFFAOYSA-N -1 1 375.244 2.824 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000175862075 552130435 /nfs/dbraw/zinc/13/04/35/552130435.db2.gz AXTITSFTTPXEJU-LLVKDONJSA-N -1 1 387.870 2.867 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000186276354 552383266 /nfs/dbraw/zinc/38/32/66/552383266.db2.gz VSXADJHXHOBRBO-UHFFFAOYSA-N -1 1 376.862 2.859 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000362665479 563707932 /nfs/dbraw/zinc/70/79/32/563707932.db2.gz KZKBTMVGDKXOEB-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM O=C(NCCc1nc2cc(Cl)ccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445021008 563841539 /nfs/dbraw/zinc/84/15/39/563841539.db2.gz PXCNWPCVXOLTHH-UHFFFAOYSA-N -1 1 378.797 2.931 20 5 GFBDMM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146334 563844197 /nfs/dbraw/zinc/84/41/97/563844197.db2.gz OLBLVXZXALWCQL-MRVPVSSYSA-N -1 1 398.188 2.958 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000472698158 564230814 /nfs/dbraw/zinc/23/08/14/564230814.db2.gz JFGQTBPOEGHLQW-GFCCVEGCSA-N -1 1 384.483 2.579 20 5 GFBDMM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815920 564355047 /nfs/dbraw/zinc/35/50/47/564355047.db2.gz INFGVWROPLLPSS-SMDDNHRTSA-N -1 1 376.862 2.978 20 5 GFBDMM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000478775598 564414736 /nfs/dbraw/zinc/41/47/36/564414736.db2.gz VLTQZLRYODJUMX-HNNXBMFYSA-N -1 1 392.861 2.894 20 5 GFBDMM C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000547939219 564524213 /nfs/dbraw/zinc/52/42/13/564524213.db2.gz BGKMBMMCFFHOCY-ZETCQYMHSA-N -1 1 385.225 2.681 20 5 GFBDMM C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000547939218 564524616 /nfs/dbraw/zinc/52/46/16/564524616.db2.gz BGKMBMMCFFHOCY-SSDOTTSWSA-N -1 1 385.225 2.681 20 5 GFBDMM O=C([O-])C1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000484562055 564590853 /nfs/dbraw/zinc/59/08/53/564590853.db2.gz BXHBVKUOEVACDZ-UHFFFAOYSA-N -1 1 397.236 2.823 20 5 GFBDMM CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000462688893 564854837 /nfs/dbraw/zinc/85/48/37/564854837.db2.gz FMWCBLQPYVPWNC-JTQLQIEISA-N -1 1 378.472 2.835 20 5 GFBDMM CN(CCc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000462865319 564861209 /nfs/dbraw/zinc/86/12/09/564861209.db2.gz XVHDMQNPSFSNRN-UHFFFAOYSA-N -1 1 380.198 2.773 20 5 GFBDMM CCC[C@@H](CCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000584032404 564916958 /nfs/dbraw/zinc/91/69/58/564916958.db2.gz KBPGXAICDGTWKW-NSHDSACASA-N -1 1 376.406 2.683 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000499675931 564933319 /nfs/dbraw/zinc/93/33/19/564933319.db2.gz LMYCSOYKBOCIKN-ZUZCIYMTSA-N -1 1 384.845 2.678 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000594787593 565420341 /nfs/dbraw/zinc/42/03/41/565420341.db2.gz ATVCIIDXSPACJI-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)ccc1-c1nn[n-]n1 ZINC000823634031 607347608 /nfs/dbraw/zinc/34/76/08/607347608.db2.gz AFPSAALRMSFFGH-INIZCTEOSA-N -1 1 388.334 2.631 20 5 GFBDMM Cc1n[nH]c(C(=O)N(Cc2ccoc2C(=O)[O-])[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000738249191 599748655 /nfs/dbraw/zinc/74/86/55/599748655.db2.gz QBNOLFOWEHAHMG-LLVKDONJSA-N -1 1 399.363 2.716 20 5 GFBDMM Cc1nc2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826329003 607450690 /nfs/dbraw/zinc/45/06/90/607450690.db2.gz MNKNQGGNGAQVMD-UHFFFAOYSA-N -1 1 378.396 2.935 20 5 GFBDMM Cc1nc2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826329003 607450692 /nfs/dbraw/zinc/45/06/92/607450692.db2.gz MNKNQGGNGAQVMD-UHFFFAOYSA-N -1 1 378.396 2.935 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000832905103 600691504 /nfs/dbraw/zinc/69/15/04/600691504.db2.gz BZHVPQOHPQARCG-UHFFFAOYSA-N -1 1 395.349 2.619 20 5 GFBDMM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000548597651 601225266 /nfs/dbraw/zinc/22/52/66/601225266.db2.gz OROPOWOVNHOLPO-HZMBPMFUSA-N -1 1 398.824 2.989 20 5 GFBDMM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1-c1nn[n-]n1 ZINC000826304602 607572212 /nfs/dbraw/zinc/57/22/12/607572212.db2.gz RGPXWXYVMKLFAD-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM COc1ccc(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1OC ZINC000826192373 607635791 /nfs/dbraw/zinc/63/57/91/607635791.db2.gz LBNGSIHJFZGAEM-UHFFFAOYSA-N -1 1 384.396 2.837 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(F)ccc1Br ZINC000823625402 606700763 /nfs/dbraw/zinc/70/07/63/606700763.db2.gz ULMXLDXLZMOVEU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(F)ccc1Br ZINC000823625402 606700764 /nfs/dbraw/zinc/70/07/64/606700764.db2.gz ULMXLDXLZMOVEU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Oc2ccccc2)nc1 ZINC000823624967 606705901 /nfs/dbraw/zinc/70/59/01/606705901.db2.gz MYDYIIYEMVJJIX-UHFFFAOYSA-N -1 1 390.363 2.969 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Oc2ccccc2)nc1 ZINC000823624967 606705902 /nfs/dbraw/zinc/70/59/02/606705902.db2.gz MYDYIIYEMVJJIX-UHFFFAOYSA-N -1 1 390.363 2.969 20 5 GFBDMM CC(C)(C)c1ccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819958999 606710481 /nfs/dbraw/zinc/71/04/81/606710481.db2.gz TYUGTFCZZXDSAO-AWEZNQCLSA-N -1 1 383.412 2.613 20 5 GFBDMM CC(C)(C)c1ccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819958999 606710483 /nfs/dbraw/zinc/71/04/83/606710483.db2.gz TYUGTFCZZXDSAO-AWEZNQCLSA-N -1 1 383.412 2.613 20 5 GFBDMM Cc1ccc(-c2nc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])co2)cc1 ZINC000822213979 606715531 /nfs/dbraw/zinc/71/55/31/606715531.db2.gz KDUIPKMPFPGSKJ-UHFFFAOYSA-N -1 1 378.352 2.745 20 5 GFBDMM Cc1ccc(-c2nc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])co2)cc1 ZINC000822213979 606715532 /nfs/dbraw/zinc/71/55/32/606715532.db2.gz KDUIPKMPFPGSKJ-UHFFFAOYSA-N -1 1 378.352 2.745 20 5 GFBDMM COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC(C)C ZINC000821717230 607167065 /nfs/dbraw/zinc/16/70/65/607167065.db2.gz MFGCDRVNFWLRNY-UHFFFAOYSA-N -1 1 385.384 2.578 20 5 GFBDMM COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC(C)C ZINC000821717230 607167066 /nfs/dbraw/zinc/16/70/66/607167066.db2.gz MFGCDRVNFWLRNY-UHFFFAOYSA-N -1 1 385.384 2.578 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826272294 607866880 /nfs/dbraw/zinc/86/68/80/607866880.db2.gz CHYLDSXOJYBUKI-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826255971 608308611 /nfs/dbraw/zinc/30/86/11/608308611.db2.gz PYGPRJYEBQRYFA-UHFFFAOYSA-N -1 1 388.409 2.501 20 5 GFBDMM O=[N+]([O-])c1ccccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826500623 609280163 /nfs/dbraw/zinc/28/01/63/609280163.db2.gz FPQGZWGWMPAHFW-UHFFFAOYSA-N -1 1 380.343 2.712 20 5 GFBDMM CCC(CC)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000830733638 660677040 /nfs/dbraw/zinc/67/70/40/660677040.db2.gz LZWNDNZOQNSOJD-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c1Cl ZINC000830957770 660688553 /nfs/dbraw/zinc/68/85/53/660688553.db2.gz MLQZCSJSINIYEI-DTORHVGOSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCn3ccnc32)c1Cl ZINC000831740401 660724604 /nfs/dbraw/zinc/72/46/04/660724604.db2.gz WQQRAZOSGKNDPC-QMMMGPOBSA-N -1 1 377.209 2.521 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000125298931 654790280 /nfs/dbraw/zinc/79/02/80/654790280.db2.gz BYTKQBLHJOTBNY-UHFFFAOYSA-N -1 1 376.843 2.839 20 5 GFBDMM CSCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000128853762 654853024 /nfs/dbraw/zinc/85/30/24/654853024.db2.gz JLDKFDNMXVNHNI-UHFFFAOYSA-N -1 1 383.289 2.779 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121383058 655349348 /nfs/dbraw/zinc/34/93/48/655349348.db2.gz RKCBUEPYLRVPAX-UHFFFAOYSA-N -1 1 376.163 2.692 20 5 GFBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257182 655379898 /nfs/dbraw/zinc/37/98/98/655379898.db2.gz YGHCLKDISROTFR-IONNQARKSA-N -1 1 381.273 2.530 20 5 GFBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725815820 655526517 /nfs/dbraw/zinc/52/65/17/655526517.db2.gz NBWMHHWISHDHCM-UHFFFAOYSA-N -1 1 384.797 2.513 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000733317491 655611930 /nfs/dbraw/zinc/61/19/30/655611930.db2.gz PHURDVFVMYEKRI-OAHLLOKOSA-N -1 1 382.825 2.841 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1F ZINC000751431547 655827129 /nfs/dbraw/zinc/82/71/29/655827129.db2.gz XXTABDUWRHBQFJ-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000760611435 655987881 /nfs/dbraw/zinc/98/78/81/655987881.db2.gz AEZJSADFLWPKAL-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000762442853 656042216 /nfs/dbraw/zinc/04/22/16/656042216.db2.gz GRWJCPCYTBAZJQ-UHFFFAOYSA-N -1 1 384.797 2.985 20 5 GFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000770703732 656327546 /nfs/dbraw/zinc/32/75/46/656327546.db2.gz DIBXZXQLNYYZLF-FUXBKTLASA-N -1 1 386.191 2.854 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H](O)C(F)(F)F ZINC000779918498 656964749 /nfs/dbraw/zinc/96/47/49/656964749.db2.gz URHFZUNJJDPZIR-RDDDGLTNSA-N -1 1 390.767 2.537 20 5 GFBDMM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000792783829 658322739 /nfs/dbraw/zinc/32/27/39/658322739.db2.gz OSDSFLAQMCTIJE-IUCAKERBSA-N -1 1 387.849 2.919 20 5 GFBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000792783829 658322753 /nfs/dbraw/zinc/32/27/53/658322753.db2.gz OSDSFLAQMCTIJE-IUCAKERBSA-N -1 1 387.849 2.919 20 5 GFBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000795809924 658853959 /nfs/dbraw/zinc/85/39/59/658853959.db2.gz KMBBRBLOWGCAJO-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM O=C(c1ncccc1[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545822 659587360 /nfs/dbraw/zinc/58/73/60/659587360.db2.gz OBLUVRAXTQKNHG-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2n[n-]c(=S)n2c1 ZINC000803637823 659593675 /nfs/dbraw/zinc/59/36/75/659593675.db2.gz SDRUULDIHDKEMV-UHFFFAOYSA-N -1 1 394.210 2.941 20 5 GFBDMM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809809407 659940634 /nfs/dbraw/zinc/94/06/34/659940634.db2.gz WPFNQPSKHKYHIP-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)cc1Cl ZINC000809818544 659942074 /nfs/dbraw/zinc/94/20/74/659942074.db2.gz FQRXVOWYQODZDS-ZDUSSCGKSA-N -1 1 394.852 2.997 20 5 GFBDMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827867 659944959 /nfs/dbraw/zinc/94/49/59/659944959.db2.gz CSGSXXVJVITFSO-ZDUSSCGKSA-N -1 1 382.841 2.709 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)sc1C ZINC000809826945 659944980 /nfs/dbraw/zinc/94/49/80/659944980.db2.gz WUGPCBPQNYSXML-UHFFFAOYSA-N -1 1 393.849 2.982 20 5 GFBDMM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cs1 ZINC000815010949 660101017 /nfs/dbraw/zinc/10/10/17/660101017.db2.gz UMSZBIRSWCRZTM-UHFFFAOYSA-N -1 1 393.849 2.927 20 5 GFBDMM C[C@@](CO)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000815014755 660101418 /nfs/dbraw/zinc/10/14/18/660101418.db2.gz AHCIBRUHPWNVPT-HNNXBMFYSA-N -1 1 388.804 2.573 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000815017407 660101935 /nfs/dbraw/zinc/10/19/35/660101935.db2.gz KOPAAEVVJVRREX-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000815017649 660102079 /nfs/dbraw/zinc/10/20/79/660102079.db2.gz RFTTTZVLFUVWQL-UHFFFAOYSA-N -1 1 380.825 2.751 20 5 GFBDMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020246 660102465 /nfs/dbraw/zinc/10/24/65/660102465.db2.gz VKAAJAGSTXPJHN-CQSZACIVSA-N -1 1 382.841 2.853 20 5 GFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815022602 660102917 /nfs/dbraw/zinc/10/29/17/660102917.db2.gz SXUFBTFUQKELSB-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000815023946 660103172 /nfs/dbraw/zinc/10/31/72/660103172.db2.gz MYAUDQFRQUMWLA-ZETCQYMHSA-N -1 1 386.879 2.514 20 5 GFBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1 ZINC000815029181 660103985 /nfs/dbraw/zinc/10/39/85/660103985.db2.gz LGTLAZPMVPYVTQ-SSDOTTSWSA-N -1 1 391.812 2.668 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccn1C ZINC000851855732 661839254 /nfs/dbraw/zinc/83/92/54/661839254.db2.gz VGQSSEBEDZJZSB-SSDOTTSWSA-N -1 1 379.225 2.675 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000921580920 664555294 /nfs/dbraw/zinc/55/52/94/664555294.db2.gz XVXOBPINZUJLQH-GZMMTYOYSA-N -1 1 386.323 2.512 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000028810105 551124600 /nfs/dbraw/zinc/12/46/00/551124600.db2.gz ULAFEZYJDBCWLV-UHFFFAOYSA-N -1 1 379.419 2.748 20 5 GFBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccs1 ZINC000056011534 551175974 /nfs/dbraw/zinc/17/59/74/551175974.db2.gz BNXXNNOGUAUQCT-LLVKDONJSA-N -1 1 384.435 2.547 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000153796890 551461147 /nfs/dbraw/zinc/46/11/47/551461147.db2.gz BLSZXIRZCLBZNV-LLVKDONJSA-N -1 1 376.843 2.976 20 5 GFBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000181609998 552262598 /nfs/dbraw/zinc/26/25/98/552262598.db2.gz PBHBORGDCCMVDD-SECBINFHSA-N -1 1 383.289 2.777 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000188020272 552431509 /nfs/dbraw/zinc/43/15/09/552431509.db2.gz WQEFGPLGDBOBJF-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193728053 553001472 /nfs/dbraw/zinc/00/14/72/553001472.db2.gz MYEIVKAWPPYHMA-QMMMGPOBSA-N -1 1 398.188 2.958 20 5 GFBDMM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194017298 553009921 /nfs/dbraw/zinc/00/99/21/553009921.db2.gz VXICVNQVWUJYRS-UHFFFAOYSA-N -1 1 391.181 2.869 20 5 GFBDMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246494831 553108839 /nfs/dbraw/zinc/10/88/39/553108839.db2.gz BIPJUTGMAKHDDR-HFXCSBFXSA-N -1 1 394.902 2.606 20 5 GFBDMM CCOC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000433463206 563613633 /nfs/dbraw/zinc/61/36/33/563613633.db2.gz OPUPPHVSUGHIIS-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000435802179 563659050 /nfs/dbraw/zinc/65/90/50/563659050.db2.gz XNMVPDGZXWVNQZ-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csnn1 ZINC000416635341 563856136 /nfs/dbraw/zinc/85/61/36/563856136.db2.gz PHXWNVFAUZXZPJ-LURJTMIESA-N -1 1 382.345 2.505 20 5 GFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000471110272 564185643 /nfs/dbraw/zinc/18/56/43/564185643.db2.gz OFAGUGQAAYBOMI-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000544726551 564396690 /nfs/dbraw/zinc/39/66/90/564396690.db2.gz USAYXJIBGVFESG-UHFFFAOYSA-N -1 1 382.419 2.957 20 5 GFBDMM COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000545755988 564431656 /nfs/dbraw/zinc/43/16/56/564431656.db2.gz HPMSNWUYXSQGDW-UHFFFAOYSA-N -1 1 380.158 2.730 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Br ZINC000525175279 564694018 /nfs/dbraw/zinc/69/40/18/564694018.db2.gz VCZAITBCACGSHW-GFCCVEGCSA-N -1 1 398.238 2.718 20 5 GFBDMM CCCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000462417337 564838206 /nfs/dbraw/zinc/83/82/06/564838206.db2.gz MLHJNYMRPAMFEA-SECBINFHSA-N -1 1 385.225 2.823 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CC ZINC000462573804 564849435 /nfs/dbraw/zinc/84/94/35/564849435.db2.gz BDAOUERSMORSEM-ZANVPECISA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(Cc2cccc(Cl)c2)CC1 ZINC000582952922 564869685 /nfs/dbraw/zinc/86/96/85/564869685.db2.gz CYONAOKMXVRTPD-UHFFFAOYSA-N -1 1 381.841 2.944 20 5 GFBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000532298173 564934202 /nfs/dbraw/zinc/93/42/02/564934202.db2.gz WJDQOVVPSCGUPU-CYBMUJFWSA-N -1 1 390.845 2.648 20 5 GFBDMM CCOC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000533884544 564975123 /nfs/dbraw/zinc/97/51/23/564975123.db2.gz JHYCUSAFCNUTMJ-UHFFFAOYSA-N -1 1 390.483 2.838 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000468961129 565000894 /nfs/dbraw/zinc/00/08/94/565000894.db2.gz MWZRFZCGWYCONK-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000535353551 565011405 /nfs/dbraw/zinc/01/14/05/565011405.db2.gz FYCSFEZQBLBBTB-JTQLQIEISA-N -1 1 396.368 2.687 20 5 GFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000594486327 565395960 /nfs/dbraw/zinc/39/59/60/565395960.db2.gz NVMQYINYGJJZPV-SNVBAGLBSA-N -1 1 378.472 2.549 20 5 GFBDMM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000595350671 565467128 /nfs/dbraw/zinc/46/71/28/565467128.db2.gz JCPNUAPHXIWAOU-JTQLQIEISA-N -1 1 399.213 2.927 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000599371674 565672780 /nfs/dbraw/zinc/67/27/80/565672780.db2.gz DZLRIYMNDVBRCI-LLVKDONJSA-N -1 1 398.750 2.527 20 5 GFBDMM Cc1nccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1Cl ZINC000613344438 566195364 /nfs/dbraw/zinc/19/53/64/566195364.db2.gz SPAZPSMSOKRPJD-UHFFFAOYSA-N -1 1 378.797 2.723 20 5 GFBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cc(N[C@@H]2CCSC2)cc1-c1nnn[n-]1 ZINC000823630261 599078017 /nfs/dbraw/zinc/07/80/17/599078017.db2.gz USGDMQUMGCLCPS-NXEZZACHSA-N -1 1 393.498 2.610 20 5 GFBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cc(N[C@@H]2CCSC2)cc1-c1nn[n-]n1 ZINC000823630261 599078020 /nfs/dbraw/zinc/07/80/20/599078020.db2.gz USGDMQUMGCLCPS-NXEZZACHSA-N -1 1 393.498 2.610 20 5 GFBDMM COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)c2c1 ZINC000826212593 607452042 /nfs/dbraw/zinc/45/20/42/607452042.db2.gz VJNOEJXZXVSMCA-UHFFFAOYSA-N -1 1 379.380 2.919 20 5 GFBDMM COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)c2c1 ZINC000826212593 607452044 /nfs/dbraw/zinc/45/20/44/607452044.db2.gz VJNOEJXZXVSMCA-UHFFFAOYSA-N -1 1 379.380 2.919 20 5 GFBDMM CCn1cc(CN2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)cn1 ZINC000514733718 602316337 /nfs/dbraw/zinc/31/63/37/602316337.db2.gz YHXVRDYUKHNBIZ-UHFFFAOYSA-N -1 1 387.440 2.530 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740096406 602655606 /nfs/dbraw/zinc/65/56/06/602655606.db2.gz FBNPLIBPIVUIHA-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]21 ZINC000834180694 605451715 /nfs/dbraw/zinc/45/17/15/605451715.db2.gz KURZYTQMQAVGDI-VHDGCEQUSA-N -1 1 387.396 2.513 20 5 GFBDMM CN(CCCOc1ccc(Cl)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821600221 606699061 /nfs/dbraw/zinc/69/90/61/606699061.db2.gz CJHADRGIUOMJFR-UHFFFAOYSA-N -1 1 389.803 2.729 20 5 GFBDMM CN(CCCOc1ccc(Cl)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821600221 606699062 /nfs/dbraw/zinc/69/90/62/606699062.db2.gz CJHADRGIUOMJFR-UHFFFAOYSA-N -1 1 389.803 2.729 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(F)cc1Br ZINC000823625181 606701837 /nfs/dbraw/zinc/70/18/37/606701837.db2.gz SHVQNBPGSOAEGT-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(F)cc1Br ZINC000823625181 606701839 /nfs/dbraw/zinc/70/18/39/606701839.db2.gz SHVQNBPGSOAEGT-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM COc1ccc(C[C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000821789928 606712301 /nfs/dbraw/zinc/71/23/01/606712301.db2.gz CIRDQVWKVVIPLB-AWEZNQCLSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1ccc(C[C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000821789928 606712303 /nfs/dbraw/zinc/71/23/03/606712303.db2.gz CIRDQVWKVVIPLB-AWEZNQCLSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1ccc2cc(CN(C)c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2c1 ZINC000821854823 607164732 /nfs/dbraw/zinc/16/47/32/607164732.db2.gz WSERIYIBVSVZFY-UHFFFAOYSA-N -1 1 391.391 2.968 20 5 GFBDMM COc1ccc2cc(CN(C)c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2c1 ZINC000821854823 607164733 /nfs/dbraw/zinc/16/47/33/607164733.db2.gz WSERIYIBVSVZFY-UHFFFAOYSA-N -1 1 391.391 2.968 20 5 GFBDMM Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300237 607867250 /nfs/dbraw/zinc/86/72/50/607867250.db2.gz NFZJIIHTEOWASQ-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826472474 608244922 /nfs/dbraw/zinc/24/49/22/608244922.db2.gz LKFOBUMNAVBGLB-HNNXBMFYSA-N -1 1 388.434 2.724 20 5 GFBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826472474 608244924 /nfs/dbraw/zinc/24/49/24/608244924.db2.gz LKFOBUMNAVBGLB-HNNXBMFYSA-N -1 1 388.434 2.724 20 5 GFBDMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943107 609502829 /nfs/dbraw/zinc/50/28/29/609502829.db2.gz NGDTUUKIFLCSQR-LUAWRHEFSA-N -1 1 396.411 2.768 20 5 GFBDMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943107 609502831 /nfs/dbraw/zinc/50/28/31/609502831.db2.gz NGDTUUKIFLCSQR-LUAWRHEFSA-N -1 1 396.411 2.768 20 5 GFBDMM COc1cccc(CC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000826216078 609588494 /nfs/dbraw/zinc/58/84/94/609588494.db2.gz JQVILPIQDBOOTL-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1cccc(CC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000826216078 609588496 /nfs/dbraw/zinc/58/84/96/609588496.db2.gz JQVILPIQDBOOTL-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CC(F)F ZINC000827882710 660521519 /nfs/dbraw/zinc/52/15/19/660521519.db2.gz YKWQCEKHQWGELC-ZETCQYMHSA-N -1 1 387.202 2.927 20 5 GFBDMM COCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000827889263 660521768 /nfs/dbraw/zinc/52/17/68/660521768.db2.gz DFHUIULSHXAWHM-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCCC2)c1Cl ZINC000830614363 660667183 /nfs/dbraw/zinc/66/71/83/660667183.db2.gz GSUBYOZTXRTFJW-UHFFFAOYSA-N -1 1 383.253 2.875 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(CCO)CCC2)c1Cl ZINC000830897634 660685519 /nfs/dbraw/zinc/68/55/19/660685519.db2.gz PMFGAPMWIIBZOI-UHFFFAOYSA-N -1 1 383.253 2.733 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000029323276 654575988 /nfs/dbraw/zinc/57/59/88/654575988.db2.gz IUCRPXDXDQPNKA-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000108404584 655132025 /nfs/dbraw/zinc/13/20/25/655132025.db2.gz PCNWNIZZBMFLAU-UHFFFAOYSA-N -1 1 375.859 2.843 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000174033569 655190571 /nfs/dbraw/zinc/19/05/71/655190571.db2.gz DASZZBKXYLEUAB-UHFFFAOYSA-N -1 1 399.347 2.730 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-] ZINC000175773096 655226850 /nfs/dbraw/zinc/22/68/50/655226850.db2.gz XGGFYWQXFDEMLR-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccccc1Cl ZINC000120902523 655346672 /nfs/dbraw/zinc/34/66/72/655346672.db2.gz ZWVYYBLLSFQNAN-ZDUSSCGKSA-N -1 1 391.232 2.914 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2C(F)(F)F)s1 ZINC000751262118 655824217 /nfs/dbraw/zinc/82/42/17/655824217.db2.gz NYUTTZMGGKIRDZ-JTQLQIEISA-N -1 1 396.368 2.687 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751489056 655829830 /nfs/dbraw/zinc/82/98/30/655829830.db2.gz YVKIIJWBPMHCRQ-RFAUZJTJSA-N -1 1 388.804 2.788 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000783834638 657264396 /nfs/dbraw/zinc/26/43/96/657264396.db2.gz ZGGGWEBREKYILP-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000790638143 658006093 /nfs/dbraw/zinc/00/60/93/658006093.db2.gz HJXLCJCBCFDHNT-JTQLQIEISA-N -1 1 385.320 2.739 20 5 GFBDMM Cc1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000790893965 658040947 /nfs/dbraw/zinc/04/09/47/658040947.db2.gz WXZLPXWPPLPGMO-UHFFFAOYSA-N -1 1 385.785 2.943 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000790909731 658043461 /nfs/dbraw/zinc/04/34/61/658043461.db2.gz SXAQGKUGSAAMMB-HNNXBMFYSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421704 658094801 /nfs/dbraw/zinc/09/48/01/658094801.db2.gz BNUDRFKJBRXWIE-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM COCCC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000795288523 658801158 /nfs/dbraw/zinc/80/11/58/658801158.db2.gz CXQZXTQIZWPAQV-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795804940 658853165 /nfs/dbraw/zinc/85/31/65/658853165.db2.gz KBTIIHKLSWHYHW-SSDOTTSWSA-N -1 1 381.223 2.821 20 5 GFBDMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795812581 658854618 /nfs/dbraw/zinc/85/46/18/658854618.db2.gz NTIQKDFRLVTMCP-UHFFFAOYSA-N -1 1 399.238 2.590 20 5 GFBDMM CC1(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000795963963 658877358 /nfs/dbraw/zinc/87/73/58/658877358.db2.gz NQANJVVWIJWPCG-UHFFFAOYSA-N -1 1 381.223 2.965 20 5 GFBDMM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000800966573 659360092 /nfs/dbraw/zinc/36/00/92/659360092.db2.gz LTIUQAONEBTIBK-OAHLLOKOSA-N -1 1 384.841 2.877 20 5 GFBDMM COC(=O)CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809805714 659939941 /nfs/dbraw/zinc/93/99/41/659939941.db2.gz JZLDXVFQZJFANQ-UHFFFAOYSA-N -1 1 399.252 2.913 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl ZINC000809821086 659942888 /nfs/dbraw/zinc/94/28/88/659942888.db2.gz HQQBMWSBSSZZKE-RKDXNWHRSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c(Cl)cc1Cl ZINC000809826833 659945028 /nfs/dbraw/zinc/94/50/28/659945028.db2.gz RZJKSMNCVQGYNZ-SNVBAGLBSA-N -1 1 391.236 2.981 20 5 GFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OCC ZINC000809840000 659947732 /nfs/dbraw/zinc/94/77/32/659947732.db2.gz OKKICNWMMJWZEZ-SECBINFHSA-N -1 1 396.824 2.645 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000814977629 660099697 /nfs/dbraw/zinc/09/96/97/660099697.db2.gz VYWIPPVGAOZXPL-GFCCVEGCSA-N -1 1 391.808 2.562 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000815019552 660102263 /nfs/dbraw/zinc/10/22/63/660102263.db2.gz QDZPMVFLLMERKG-CQSZACIVSA-N -1 1 388.804 2.789 20 5 GFBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025132 660103308 /nfs/dbraw/zinc/10/33/08/660103308.db2.gz BQJNAMOHLDRZCT-CYBMUJFWSA-N -1 1 382.841 2.709 20 5 GFBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000815032499 660104577 /nfs/dbraw/zinc/10/45/77/660104577.db2.gz HQCPYWQLHQMPRF-ZIAGYGMSSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000815032738 660104627 /nfs/dbraw/zinc/10/46/27/660104627.db2.gz MFFMCAFYSWBYSE-ZETCQYMHSA-N -1 1 379.822 2.926 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000815045950 660106673 /nfs/dbraw/zinc/10/66/73/660106673.db2.gz DFLVDFYAHXZDDJ-UHFFFAOYSA-N -1 1 389.792 2.733 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000815047877 660107155 /nfs/dbraw/zinc/10/71/55/660107155.db2.gz LYNCWLRSKXEJQM-AWEZNQCLSA-N -1 1 394.852 2.853 20 5 GFBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815063120 660108529 /nfs/dbraw/zinc/10/85/29/660108529.db2.gz WDVUEUKGWJNCCW-CQSZACIVSA-N -1 1 380.825 2.607 20 5 GFBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815063112 660108539 /nfs/dbraw/zinc/10/85/39/660108539.db2.gz WARXDXPJMWMZBI-AWEZNQCLSA-N -1 1 380.825 2.607 20 5 GFBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000845968474 661512245 /nfs/dbraw/zinc/51/22/45/661512245.db2.gz MQMDXOXONAQJNI-PSASIEDQSA-N -1 1 385.269 2.977 20 5 GFBDMM O=C([O-])CCN(Cc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000923254186 664626518 /nfs/dbraw/zinc/62/65/18/664626518.db2.gz OOBMJJCZJKGMTQ-UHFFFAOYSA-N -1 1 387.230 2.813 20 5 GFBDMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000055648502 551174073 /nfs/dbraw/zinc/17/40/73/551174073.db2.gz YQNKBAFYMQXNDI-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000177734093 552158349 /nfs/dbraw/zinc/15/83/49/552158349.db2.gz YACPHCGYDHNXLA-CYBMUJFWSA-N -1 1 384.841 2.693 20 5 GFBDMM Cc1c(Br)cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000424209808 563373608 /nfs/dbraw/zinc/37/36/08/563373608.db2.gz AYAWJAGZVIEJDI-ZCFIWIBFSA-N -1 1 391.165 2.895 20 5 GFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000431145071 563555233 /nfs/dbraw/zinc/55/52/33/563555233.db2.gz VZJGWJOVLKQQHZ-UHFFFAOYSA-N -1 1 380.275 2.961 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000432190698 563576517 /nfs/dbraw/zinc/57/65/17/563576517.db2.gz GDSVOMCCOOBJLH-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350824858 563677715 /nfs/dbraw/zinc/67/77/15/563677715.db2.gz QYPPSFHBPYMPEM-ZETCQYMHSA-N -1 1 386.436 2.807 20 5 GFBDMM COc1ccc(Br)cc1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444827767 563837506 /nfs/dbraw/zinc/83/75/06/563837506.db2.gz KCQGUXXCAPHGDO-UHFFFAOYSA-N -1 1 396.197 2.739 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csnn1 ZINC000416635342 563856069 /nfs/dbraw/zinc/85/60/69/563856069.db2.gz PHXWNVFAUZXZPJ-ZCFIWIBFSA-N -1 1 382.345 2.505 20 5 GFBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000538282289 564187587 /nfs/dbraw/zinc/18/75/87/564187587.db2.gz AKWPYCSCEJNWDB-NSHDSACASA-N -1 1 376.862 2.715 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539386430 564218483 /nfs/dbraw/zinc/21/84/83/564218483.db2.gz AQDKBAOUPFIIBW-GFCCVEGCSA-N -1 1 383.813 2.835 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCn1ccc2cc(Cl)ccc21 ZINC000551975453 564670842 /nfs/dbraw/zinc/67/08/42/564670842.db2.gz PCEXSCUIHNJQLW-UHFFFAOYSA-N -1 1 380.813 2.576 20 5 GFBDMM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000525184353 564695097 /nfs/dbraw/zinc/69/50/97/564695097.db2.gz ZLAJAGGLGQSJKA-SNVBAGLBSA-N -1 1 386.451 2.583 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000490459112 564772537 /nfs/dbraw/zinc/77/25/37/564772537.db2.gz SVWABJGEYWABGZ-VIFPVBQESA-N -1 1 390.874 2.882 20 5 GFBDMM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582285563 564838607 /nfs/dbraw/zinc/83/86/07/564838607.db2.gz NDVZHNASDMWETR-QMMMGPOBSA-N -1 1 385.225 2.823 20 5 GFBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CC ZINC000462574889 564849238 /nfs/dbraw/zinc/84/92/38/564849238.db2.gz QZRYRAVRHRCRIF-BXKDBHETSA-N -1 1 378.834 2.504 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000619507908 565345599 /nfs/dbraw/zinc/34/55/99/565345599.db2.gz JTABJNQKBUBFHN-UHFFFAOYSA-N -1 1 384.797 2.993 20 5 GFBDMM O=C([O-])C1(NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 ZINC000819159597 597264548 /nfs/dbraw/zinc/26/45/48/597264548.db2.gz MHPAVORJXJHTAX-UHFFFAOYSA-N -1 1 390.421 2.644 20 5 GFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cccc(-c2nnn[n-]2)n1 ZINC000738358216 599398849 /nfs/dbraw/zinc/39/88/49/599398849.db2.gz BQOXIPBPUXFGEK-UHFFFAOYSA-N -1 1 394.317 2.713 20 5 GFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cccc(-c2nn[n-]n2)n1 ZINC000738358216 599398853 /nfs/dbraw/zinc/39/88/53/599398853.db2.gz BQOXIPBPUXFGEK-UHFFFAOYSA-N -1 1 394.317 2.713 20 5 GFBDMM CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(NC(=O)[O-])CC1 ZINC000828114459 603836026 /nfs/dbraw/zinc/83/60/26/603836026.db2.gz IGEMUUVELRFGGS-UHFFFAOYSA-N -1 1 384.820 2.697 20 5 GFBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000820778009 606704826 /nfs/dbraw/zinc/70/48/26/606704826.db2.gz UIHRDFUDYMYPOH-TXEJJXNPSA-N -1 1 396.411 2.527 20 5 GFBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000820778009 606704828 /nfs/dbraw/zinc/70/48/28/606704828.db2.gz UIHRDFUDYMYPOH-TXEJJXNPSA-N -1 1 396.411 2.527 20 5 GFBDMM Cc1cc(F)ccc1N1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822205932 606711053 /nfs/dbraw/zinc/71/10/53/606711053.db2.gz NTLHBRXHQQUUQB-ZDUSSCGKSA-N -1 1 398.402 2.698 20 5 GFBDMM Cc1cc(F)ccc1N1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822205932 606711055 /nfs/dbraw/zinc/71/10/55/606711055.db2.gz NTLHBRXHQQUUQB-ZDUSSCGKSA-N -1 1 398.402 2.698 20 5 GFBDMM CSCc1cc(F)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821970744 606720128 /nfs/dbraw/zinc/72/01/28/606720128.db2.gz RMFVDEYABFGJHP-UHFFFAOYSA-N -1 1 375.389 2.784 20 5 GFBDMM CSCc1cc(F)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821970744 606720130 /nfs/dbraw/zinc/72/01/30/606720130.db2.gz RMFVDEYABFGJHP-UHFFFAOYSA-N -1 1 375.389 2.784 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccccc1OC(F)(F)F ZINC000823625440 606720704 /nfs/dbraw/zinc/72/07/04/606720704.db2.gz VJIVOBANWXKQRG-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccccc1OC(F)(F)F ZINC000823625440 606720705 /nfs/dbraw/zinc/72/07/05/606720705.db2.gz VJIVOBANWXKQRG-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H]2CCO[C@H]21 ZINC000830665097 660670702 /nfs/dbraw/zinc/67/07/02/660670702.db2.gz YHDQNSBLVUSFBE-HAGUPOPPSA-N -1 1 395.264 2.993 20 5 GFBDMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830729018 660676186 /nfs/dbraw/zinc/67/61/86/660676186.db2.gz LGCRNTCDJAYXGQ-QMMMGPOBSA-N -1 1 399.252 2.768 20 5 GFBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830772421 660678910 /nfs/dbraw/zinc/67/89/10/660678910.db2.gz CRTOTKBCYDOFHA-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCOC1 ZINC000831063778 660692111 /nfs/dbraw/zinc/69/21/11/660692111.db2.gz XRKRWRUYCDBKPE-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831597146 660714310 /nfs/dbraw/zinc/71/43/10/660714310.db2.gz GHESFJVQEJMPOG-ZDUSSCGKSA-N -1 1 397.280 2.977 20 5 GFBDMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000831777680 660726320 /nfs/dbraw/zinc/72/63/20/660726320.db2.gz CQJLZCMDLZJMRJ-VIFPVBQESA-N -1 1 390.767 2.884 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(Cl)cc1Cl ZINC000832579374 660787529 /nfs/dbraw/zinc/78/75/29/660787529.db2.gz FRALYAMCHJTDCD-VIFPVBQESA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000832579373 660787574 /nfs/dbraw/zinc/78/75/74/660787574.db2.gz FRALYAMCHJTDCD-SECBINFHSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)s1 ZINC000063764298 654857397 /nfs/dbraw/zinc/85/73/97/654857397.db2.gz BBGLUMYLEQFSTN-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000130457275 654888817 /nfs/dbraw/zinc/88/88/17/654888817.db2.gz NBCLRDHVNATPOO-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000161591489 655127836 /nfs/dbraw/zinc/12/78/36/655127836.db2.gz ALQOVGKXOHQCLW-SNVBAGLBSA-N -1 1 396.368 2.687 20 5 GFBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000273631950 655151761 /nfs/dbraw/zinc/15/17/61/655151761.db2.gz SMVCPAFBTTZGCQ-LURJTMIESA-N -1 1 396.372 2.813 20 5 GFBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000173985746 655188323 /nfs/dbraw/zinc/18/83/23/655188323.db2.gz GXTACVCMXVFAAJ-LLVKDONJSA-N -1 1 376.843 2.976 20 5 GFBDMM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826934 655527313 /nfs/dbraw/zinc/52/73/13/655527313.db2.gz JIDHDCHFSCCPFH-UHFFFAOYSA-N -1 1 385.829 2.911 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751438465 655827354 /nfs/dbraw/zinc/82/73/54/655827354.db2.gz WLGRRZYEAJQRMH-JTQLQIEISA-N -1 1 376.843 2.712 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751489054 655829838 /nfs/dbraw/zinc/82/98/38/655829838.db2.gz YVKIIJWBPMHCRQ-PSLIRLAXSA-N -1 1 388.804 2.788 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-] ZINC000753085259 655850291 /nfs/dbraw/zinc/85/02/91/655850291.db2.gz ZRCXGXQUVSZBJK-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM O=C([N-]c1cc(-c2ccccc2Br)no1)c1n[nH]cc1[N+](=O)[O-] ZINC000764233141 656105443 /nfs/dbraw/zinc/10/54/43/656105443.db2.gz KQHVRYRRXFXSFD-UHFFFAOYSA-N -1 1 378.142 2.988 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775725215 656673774 /nfs/dbraw/zinc/67/37/74/656673774.db2.gz QRVWFXDWMBFYBB-IAQYHMDHSA-N -1 1 390.845 2.648 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000775728424 656675177 /nfs/dbraw/zinc/67/51/77/656675177.db2.gz HXCFUMKLGBZHOP-LBPRGKRZSA-N -1 1 390.845 2.602 20 5 GFBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777956229 656846463 /nfs/dbraw/zinc/84/64/63/656846463.db2.gz GRTIQMNQDVIUIR-UHFFFAOYSA-N -1 1 391.236 2.687 20 5 GFBDMM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000782492342 657150617 /nfs/dbraw/zinc/15/06/17/657150617.db2.gz NIVVWSLKNSTRPW-HNNXBMFYSA-N -1 1 376.862 2.858 20 5 GFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC ZINC000788710625 657776841 /nfs/dbraw/zinc/77/68/41/657776841.db2.gz PWIBUIVJOWWPMI-JTQLQIEISA-N -1 1 378.834 2.506 20 5 GFBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421788 658095227 /nfs/dbraw/zinc/09/52/27/658095227.db2.gz PRLJKTLLYMUENK-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796008844 658880038 /nfs/dbraw/zinc/88/00/38/658880038.db2.gz KQOVHNZDUMQNPZ-OAHLLOKOSA-N -1 1 384.841 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)cc1Cl ZINC000798226962 659085998 /nfs/dbraw/zinc/08/59/98/659085998.db2.gz ZVXYWXCAWCAFGZ-UHFFFAOYSA-N -1 1 388.760 2.595 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1-c1ccccc1 ZINC000805128521 659746184 /nfs/dbraw/zinc/74/61/84/659746184.db2.gz UQNGSTHMKQHOFD-NSHDSACASA-N -1 1 378.435 2.882 20 5 GFBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394206 659926417 /nfs/dbraw/zinc/92/64/17/659926417.db2.gz WAUBUFDCLGZHMV-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cn3ccccc3n2)cc1Cl ZINC000809806710 659939997 /nfs/dbraw/zinc/93/99/97/659939997.db2.gz RTYLHYIATOWGHI-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM CCC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809808033 659940101 /nfs/dbraw/zinc/94/01/01/659940101.db2.gz WURFFNZZCMZEEA-ZDUSSCGKSA-N -1 1 399.252 2.912 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC1CCCCC1 ZINC000809824582 659944263 /nfs/dbraw/zinc/94/42/63/659944263.db2.gz RZRNNCUNLPNIPE-UHFFFAOYSA-N -1 1 394.808 2.542 20 5 GFBDMM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1 ZINC000809825685 659944270 /nfs/dbraw/zinc/94/42/70/659944270.db2.gz RXLYNFJVZRKARC-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl ZINC000809826614 659944613 /nfs/dbraw/zinc/94/46/13/659944613.db2.gz LCQZLJRSMAQYKE-KDDOJWQBSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000809828058 659945416 /nfs/dbraw/zinc/94/54/16/659945416.db2.gz HFABGMHMUWJVPE-MCCGJVOXSA-N -1 1 390.820 2.623 20 5 GFBDMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809829996 659945958 /nfs/dbraw/zinc/94/59/58/659945958.db2.gz PVLDILHVYRANPX-ZANVPECISA-N -1 1 380.825 2.869 20 5 GFBDMM Cn1ncc2ccc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000812513678 660028776 /nfs/dbraw/zinc/02/87/76/660028776.db2.gz UUEUUMIUTOSXAF-UHFFFAOYSA-N -1 1 380.813 2.613 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000815015508 660101693 /nfs/dbraw/zinc/10/16/93/660101693.db2.gz LMDSTWODWBVVSZ-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000815015999 660101733 /nfs/dbraw/zinc/10/17/33/660101733.db2.gz UXPYPAKGGVGTKW-CYBMUJFWSA-N -1 1 380.825 2.607 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000815020717 660102576 /nfs/dbraw/zinc/10/25/76/660102576.db2.gz DHYNXLLGOSCPTG-UONOGXRCSA-N -1 1 380.825 2.607 20 5 GFBDMM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815034050 660104848 /nfs/dbraw/zinc/10/48/48/660104848.db2.gz BQWXLBKSADYVRJ-TZNOJPMFSA-N -1 1 394.808 2.564 20 5 GFBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044191 660106482 /nfs/dbraw/zinc/10/64/82/660106482.db2.gz XTGYAULTVGGRKB-VIFPVBQESA-N -1 1 396.824 2.786 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000815044567 660106690 /nfs/dbraw/zinc/10/66/90/660106690.db2.gz GFMRYGHMSHDGKN-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H](O)C(C)C ZINC000841562407 661302089 /nfs/dbraw/zinc/30/20/89/661302089.db2.gz YWCJQCGBECNWER-GXFFZTMASA-N -1 1 385.269 2.975 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845975495 661515180 /nfs/dbraw/zinc/51/51/80/661515180.db2.gz BOIKDTJSGXDTGN-BDJLRTHQSA-N -1 1 384.841 2.823 20 5 GFBDMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000846010511 661521763 /nfs/dbraw/zinc/52/17/63/661521763.db2.gz PWLUJMVVKNHNMO-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1(F)F ZINC000849461517 661730268 /nfs/dbraw/zinc/73/02/68/661730268.db2.gz ZILNFSROFKAQBV-JTQLQIEISA-N -1 1 385.186 2.681 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(O)CC2)c1Cl ZINC000851820455 661834729 /nfs/dbraw/zinc/83/47/29/661834729.db2.gz BBDVQWMNIYQNJK-UHFFFAOYSA-N -1 1 383.253 2.731 20 5 GFBDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000851852901 661839032 /nfs/dbraw/zinc/83/90/32/661839032.db2.gz DBZFRUSQVALAEX-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000859176187 662142711 /nfs/dbraw/zinc/14/27/11/662142711.db2.gz SBONHLBDZSMJNK-UHFFFAOYSA-N -1 1 380.209 2.985 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000859275361 662149200 /nfs/dbraw/zinc/14/92/00/662149200.db2.gz IKYBXFDMCDEIES-UHFFFAOYSA-N -1 1 379.207 2.741 20 5 GFBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000129813250 551360086 /nfs/dbraw/zinc/36/00/86/551360086.db2.gz PRHJLWDSRXYZPZ-UHFFFAOYSA-N -1 1 380.133 2.791 20 5 GFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173522434 552087352 /nfs/dbraw/zinc/08/73/52/552087352.db2.gz UFFJMKSPKPOYBU-VIFPVBQESA-N -1 1 395.275 2.839 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000175862055 552130286 /nfs/dbraw/zinc/13/02/86/552130286.db2.gz AXTITSFTTPXEJU-NSHDSACASA-N -1 1 387.870 2.867 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000178880888 552178305 /nfs/dbraw/zinc/17/83/05/552178305.db2.gz JNTZIKFQFAXUBD-ZDUSSCGKSA-N -1 1 384.841 2.693 20 5 GFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000181609982 552262563 /nfs/dbraw/zinc/26/25/63/552262563.db2.gz PBHBORGDCCMVDD-VIFPVBQESA-N -1 1 383.289 2.777 20 5 GFBDMM COC(=O)CCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295296407 563241174 /nfs/dbraw/zinc/24/11/74/563241174.db2.gz FAKYNHYVTNTTEW-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](CO)c2ccccc21 ZINC000372726210 563315456 /nfs/dbraw/zinc/31/54/56/563315456.db2.gz MMGGZJIBRZFOII-YGRLFVJLSA-N -1 1 382.825 2.747 20 5 GFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1Cl ZINC000290898941 563725759 /nfs/dbraw/zinc/72/57/59/563725759.db2.gz DTMMDPWBZGKICF-UHFFFAOYSA-N -1 1 386.817 2.597 20 5 GFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938007 563815224 /nfs/dbraw/zinc/81/52/24/563815224.db2.gz VGPNPHUXSYSTQD-KRTXAFLBSA-N -1 1 388.339 2.998 20 5 GFBDMM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000445738269 563853541 /nfs/dbraw/zinc/85/35/41/563853541.db2.gz GEVIWULEYRDQKD-OAHLLOKOSA-N -1 1 376.862 2.858 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1Br ZINC000473971683 564260533 /nfs/dbraw/zinc/26/05/33/564260533.db2.gz OLDLFNBPUZCXGG-UHFFFAOYSA-N -1 1 394.229 2.891 20 5 GFBDMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000541311083 564274382 /nfs/dbraw/zinc/27/43/82/564274382.db2.gz HLAOEGPQWMBXCI-SNVBAGLBSA-N -1 1 378.472 2.693 20 5 GFBDMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815918 564355506 /nfs/dbraw/zinc/35/55/06/564355506.db2.gz INFGVWROPLLPSS-FZMZJTMJSA-N -1 1 376.862 2.978 20 5 GFBDMM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512446 564375178 /nfs/dbraw/zinc/37/51/78/564375178.db2.gz UQIXJHOMAVVHGK-GXTWGEPZSA-N -1 1 381.479 2.598 20 5 GFBDMM O=C([O-])CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000547932422 564522702 /nfs/dbraw/zinc/52/27/02/564522702.db2.gz CFJFJQAFZLNEIR-UHFFFAOYSA-N -1 1 397.236 2.825 20 5 GFBDMM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548217182 564537557 /nfs/dbraw/zinc/53/75/57/564537557.db2.gz QSVJUPVMQZYWLV-SSDOTTSWSA-N -1 1 385.225 2.823 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000548697152 564571047 /nfs/dbraw/zinc/57/10/47/564571047.db2.gz LWACDUQIROECSV-SECBINFHSA-N -1 1 382.269 2.664 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457329138 564656760 /nfs/dbraw/zinc/65/67/60/564656760.db2.gz NTSZXBZXDXOPAN-GFCCVEGCSA-N -1 1 393.197 2.830 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000491720023 564795324 /nfs/dbraw/zinc/79/53/24/564795324.db2.gz KVGPQQZJOWHGPI-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM CCCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000462417338 564837945 /nfs/dbraw/zinc/83/79/45/564837945.db2.gz MLHJNYMRPAMFEA-VIFPVBQESA-N -1 1 385.225 2.823 20 5 GFBDMM CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000462688894 564854813 /nfs/dbraw/zinc/85/48/13/564854813.db2.gz FMWCBLQPYVPWNC-SNVBAGLBSA-N -1 1 378.472 2.835 20 5 GFBDMM CN(CCc1cccc(Br)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000462832193 564859875 /nfs/dbraw/zinc/85/98/75/564859875.db2.gz HTNPRRQDHROGKF-UHFFFAOYSA-N -1 1 380.198 2.773 20 5 GFBDMM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000531006217 564898901 /nfs/dbraw/zinc/89/89/01/564898901.db2.gz ZCHZNLFILYRJAS-GFCCVEGCSA-N -1 1 385.829 2.779 20 5 GFBDMM NC(=O)c1ccc(SCC(=O)Nc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000532749151 564943890 /nfs/dbraw/zinc/94/38/90/564943890.db2.gz WICMAGHZBHOHOH-UHFFFAOYSA-N -1 1 381.797 2.784 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000500143660 564946747 /nfs/dbraw/zinc/94/67/47/564946747.db2.gz IBVMGUZYOZFRNC-UHFFFAOYSA-N -1 1 395.300 2.779 20 5 GFBDMM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000561402949 564993859 /nfs/dbraw/zinc/99/38/59/564993859.db2.gz OBCNUGLWSPLKLQ-LBPRGKRZSA-N -1 1 382.825 2.839 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2sc(Br)cc2C1 ZINC000618383313 565298079 /nfs/dbraw/zinc/29/80/79/565298079.db2.gz DBWUZITYTMKGPI-UHFFFAOYSA-N -1 1 384.211 2.718 20 5 GFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594819747 565425099 /nfs/dbraw/zinc/42/50/99/565425099.db2.gz VXNVXUXBIWXCRX-ZDUSSCGKSA-N -1 1 382.360 2.763 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000610261996 566073123 /nfs/dbraw/zinc/07/31/23/566073123.db2.gz KJVUTPUOOIGVFY-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM C[C@@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820307353 607329413 /nfs/dbraw/zinc/32/94/13/607329413.db2.gz LTCIBGJNSANMEA-VIFPVBQESA-N -1 1 382.409 2.823 20 5 GFBDMM C[C@@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820307353 607329414 /nfs/dbraw/zinc/32/94/14/607329414.db2.gz LTCIBGJNSANMEA-VIFPVBQESA-N -1 1 382.409 2.823 20 5 GFBDMM O=C([O-])CCc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000833242620 600891467 /nfs/dbraw/zinc/89/14/67/600891467.db2.gz UQADIFNSJSOKDP-UHFFFAOYSA-N -1 1 390.299 2.735 20 5 GFBDMM CC(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000826687931 602250019 /nfs/dbraw/zinc/25/00/19/602250019.db2.gz SOUKACPPOUNVMO-INIZCTEOSA-N -1 1 384.864 2.630 20 5 GFBDMM CC(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000826687931 602250020 /nfs/dbraw/zinc/25/00/20/602250020.db2.gz SOUKACPPOUNVMO-INIZCTEOSA-N -1 1 384.864 2.630 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826267829 607618777 /nfs/dbraw/zinc/61/87/77/607618777.db2.gz YIMNNWBKGWZLJQ-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000823635347 606645132 /nfs/dbraw/zinc/64/51/32/606645132.db2.gz WHHRGHIIPPJKRF-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM CC(C)c1nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202415 606645620 /nfs/dbraw/zinc/64/56/20/606645620.db2.gz HXOVHPZZZHEHRL-LLVKDONJSA-N -1 1 384.400 2.665 20 5 GFBDMM O=[N+]([O-])c1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nn[n-]n1 ZINC000823634437 606646034 /nfs/dbraw/zinc/64/60/34/606646034.db2.gz FLJWTMWFVFOORC-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM CCCC(=O)Nc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821009690 606697865 /nfs/dbraw/zinc/69/78/65/606697865.db2.gz YRFNDXAFQZYQBU-UHFFFAOYSA-N -1 1 382.384 2.521 20 5 GFBDMM CCCC(=O)Nc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821009690 606697867 /nfs/dbraw/zinc/69/78/67/606697867.db2.gz YRFNDXAFQZYQBU-UHFFFAOYSA-N -1 1 382.384 2.521 20 5 GFBDMM CN(CCCOc1cccc(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821600666 606699264 /nfs/dbraw/zinc/69/92/64/606699264.db2.gz XPTHQVZPAMREQC-UHFFFAOYSA-N -1 1 389.803 2.729 20 5 GFBDMM CN(CCCOc1cccc(Cl)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821600666 606699266 /nfs/dbraw/zinc/69/92/66/606699266.db2.gz XPTHQVZPAMREQC-UHFFFAOYSA-N -1 1 389.803 2.729 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000823620623 606702105 /nfs/dbraw/zinc/70/21/05/606702105.db2.gz NHDPYGPBDLEMFX-CZUORRHYSA-N -1 1 381.396 2.750 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000823620623 606702106 /nfs/dbraw/zinc/70/21/06/606702106.db2.gz NHDPYGPBDLEMFX-CZUORRHYSA-N -1 1 381.396 2.750 20 5 GFBDMM Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(Cl)c1 ZINC000822258765 607154211 /nfs/dbraw/zinc/15/42/11/607154211.db2.gz BWZOIFMQNHQRRD-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000826464137 608143683 /nfs/dbraw/zinc/14/36/83/608143683.db2.gz JYJAMENJQGDSJI-UHFFFAOYSA-N -1 1 377.407 2.786 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(Cl)cnc1Br ZINC000826497857 608415863 /nfs/dbraw/zinc/41/58/63/608415863.db2.gz WTJPRFUNIDQUEO-UHFFFAOYSA-N -1 1 398.564 2.773 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(Cl)cnc1Br ZINC000826497857 608415865 /nfs/dbraw/zinc/41/58/65/608415865.db2.gz WTJPRFUNIDQUEO-UHFFFAOYSA-N -1 1 398.564 2.773 20 5 GFBDMM CCOc1ccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000825639571 608555418 /nfs/dbraw/zinc/55/54/18/608555418.db2.gz ZPUZIJACYDCIKK-UHFFFAOYSA-N -1 1 393.407 2.862 20 5 GFBDMM CCOc1ccc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000825639571 608555419 /nfs/dbraw/zinc/55/54/19/608555419.db2.gz ZPUZIJACYDCIKK-UHFFFAOYSA-N -1 1 393.407 2.862 20 5 GFBDMM O=[N+]([O-])c1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826498543 609279817 /nfs/dbraw/zinc/27/98/17/609279817.db2.gz ZXMOZUZBYMQEKP-UHFFFAOYSA-N -1 1 380.343 2.712 20 5 GFBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000826271294 609563696 /nfs/dbraw/zinc/56/36/96/609563696.db2.gz LTWFMIWNRDRPHS-GFCCVEGCSA-N -1 1 395.427 2.996 20 5 GFBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000830539350 660662587 /nfs/dbraw/zinc/66/25/87/660662587.db2.gz FSRBYUKPSBGCEL-LLVKDONJSA-N -1 1 399.252 2.768 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1Cl ZINC000830657957 660669445 /nfs/dbraw/zinc/66/94/45/660669445.db2.gz ISBDJSGLOOIWCP-GZMMTYOYSA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(F)F ZINC000831896742 660734414 /nfs/dbraw/zinc/73/44/14/660734414.db2.gz WVWJYXNFBCECHS-GMSGAONNSA-N -1 1 393.195 2.585 20 5 GFBDMM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)co1 ZINC000832478879 660782120 /nfs/dbraw/zinc/78/21/20/660782120.db2.gz TYNMSOIDQRVZCF-UHFFFAOYSA-N -1 1 379.316 2.643 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000048440190 654707073 /nfs/dbraw/zinc/70/70/73/654707073.db2.gz FURRFYSYPAPIHP-UHFFFAOYSA-N -1 1 375.244 2.824 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCS1 ZINC000126222253 654810661 /nfs/dbraw/zinc/81/06/61/654810661.db2.gz ZJHWTEAAYSDLMI-GFCCVEGCSA-N -1 1 395.300 2.921 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129178267 654859451 /nfs/dbraw/zinc/85/94/51/654859451.db2.gz PWRWHKHYKXQVOU-NHYWBVRUSA-N -1 1 384.841 2.519 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000269155891 655000002 /nfs/dbraw/zinc/00/00/02/655000002.db2.gz UVLJLWSJVJJMNW-IINYFYTJSA-N -1 1 392.886 2.581 20 5 GFBDMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000162846132 655133633 /nfs/dbraw/zinc/13/36/33/655133633.db2.gz OULONYPDRBDZQK-IUCAKERBSA-N -1 1 393.259 2.592 20 5 GFBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000172884152 655160336 /nfs/dbraw/zinc/16/03/36/655160336.db2.gz LODODSAYRRPGNQ-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175649546 655225071 /nfs/dbraw/zinc/22/50/71/655225071.db2.gz ARFGBAQLKPTOPA-BAGVQZLWSA-N -1 1 394.902 2.606 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000739384523 655693449 /nfs/dbraw/zinc/69/34/49/655693449.db2.gz IVWCXHFTZZWNJL-UHFFFAOYSA-N -1 1 397.210 2.806 20 5 GFBDMM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000742300042 655714791 /nfs/dbraw/zinc/71/47/91/655714791.db2.gz UHKVATGOMGYDFY-UHFFFAOYSA-N -1 1 379.225 2.666 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000747291581 655776705 /nfs/dbraw/zinc/77/67/05/655776705.db2.gz SCDYWGSQJYZTAY-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000763297824 656078633 /nfs/dbraw/zinc/07/86/33/656078633.db2.gz HONUHPAMUZJFNK-UHFFFAOYSA-N -1 1 384.797 2.765 20 5 GFBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421702 658095260 /nfs/dbraw/zinc/09/52/60/658095260.db2.gz BNUDRFKJBRXWIE-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000795959128 658876786 /nfs/dbraw/zinc/87/67/86/658876786.db2.gz QRKYMKKZVASOIU-IYOMYWLESA-N -1 1 379.207 2.573 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000805142337 659749887 /nfs/dbraw/zinc/74/98/87/659749887.db2.gz RPNXSKAABDLXQO-JTQLQIEISA-N -1 1 385.186 2.823 20 5 GFBDMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821325 659943313 /nfs/dbraw/zinc/94/33/13/659943313.db2.gz QBCITGUGSQTFIR-QMMMGPOBSA-N -1 1 399.252 2.768 20 5 GFBDMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822166 659943390 /nfs/dbraw/zinc/94/33/90/659943390.db2.gz DWEYXOFRSVQICL-UHFFFAOYSA-N -1 1 396.824 2.788 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC[C@@H]1O ZINC000809823189 659943750 /nfs/dbraw/zinc/94/37/50/659943750.db2.gz IQXGGBXGQDUMOK-UONOGXRCSA-N -1 1 380.825 2.607 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2ccncc2)c(Cl)cc1Cl ZINC000809826481 659944750 /nfs/dbraw/zinc/94/47/50/659944750.db2.gz HIQUJAZWXPLROO-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827765 659944925 /nfs/dbraw/zinc/94/49/25/659944925.db2.gz CSGSXXVJVITFSO-CYBMUJFWSA-N -1 1 382.841 2.709 20 5 GFBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829473 659945768 /nfs/dbraw/zinc/94/57/68/659945768.db2.gz HELBWYFKPHRJPS-PELKAZGASA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000809840942 659947704 /nfs/dbraw/zinc/94/77/04/659947704.db2.gz ZLTLGYYQFJOXGP-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000815018792 660102300 /nfs/dbraw/zinc/10/23/00/660102300.db2.gz BFYXNDSILOSSLC-UHFFFAOYSA-N -1 1 393.849 2.927 20 5 GFBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021836 660102965 /nfs/dbraw/zinc/10/29/65/660102965.db2.gz QBYDNWUQQKGLIN-UHFFFAOYSA-N -1 1 396.824 2.788 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)O1 ZINC000841558476 661300613 /nfs/dbraw/zinc/30/06/13/661300613.db2.gz AXVSEYCRLFKXTG-HRDYMLBCSA-N -1 1 383.253 2.993 20 5 GFBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000842803627 661355499 /nfs/dbraw/zinc/35/54/99/661355499.db2.gz RIKKPASJCYDQOG-LLVKDONJSA-N -1 1 381.248 2.770 20 5 GFBDMM Cc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(C)c1 ZINC000848474940 661653009 /nfs/dbraw/zinc/65/30/09/661653009.db2.gz IVQQVMQVAWPOQP-UHFFFAOYSA-N -1 1 387.820 2.920 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859341797 662154265 /nfs/dbraw/zinc/15/42/65/662154265.db2.gz SMJKUZKIJFRRCY-ZWADGADFSA-N -1 1 383.253 2.992 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)ccc1[O-] ZINC000029185887 551125929 /nfs/dbraw/zinc/12/59/29/551125929.db2.gz PHEYYFACWTZTBO-UHFFFAOYSA-N -1 1 378.284 3.000 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000066334026 551186358 /nfs/dbraw/zinc/18/63/58/551186358.db2.gz ZIUBTDSOKFCJSR-NSHDSACASA-N -1 1 385.442 2.600 20 5 GFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000156383864 551521681 /nfs/dbraw/zinc/52/16/81/551521681.db2.gz DEFQBLDVYZSUOM-JTQLQIEISA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000170794798 551640198 /nfs/dbraw/zinc/64/01/98/551640198.db2.gz ZOHIURIAIJTNII-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000182753900 552292431 /nfs/dbraw/zinc/29/24/31/552292431.db2.gz XLONDTQHOZBRMW-UHFFFAOYSA-N -1 1 375.328 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Br)ccc2O)ccc1[O-] ZINC000317088063 563442618 /nfs/dbraw/zinc/44/26/18/563442618.db2.gz WWHOKIICZAIVDZ-UHFFFAOYSA-N -1 1 389.183 2.569 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000318945935 563444699 /nfs/dbraw/zinc/44/46/99/563444699.db2.gz RHWUSOYMRXOMIC-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000432672742 563591152 /nfs/dbraw/zinc/59/11/52/563591152.db2.gz ZKPCQNMMGSITLB-SSDOTTSWSA-N -1 1 384.801 2.877 20 5 GFBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000432672742 563591155 /nfs/dbraw/zinc/59/11/55/563591155.db2.gz ZKPCQNMMGSITLB-SSDOTTSWSA-N -1 1 384.801 2.877 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])OCCc2sccc21 ZINC000290222127 563701980 /nfs/dbraw/zinc/70/19/80/563701980.db2.gz WOWXXSLXYANECO-OAHLLOKOSA-N -1 1 386.426 2.562 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292038558 563771166 /nfs/dbraw/zinc/77/11/66/563771166.db2.gz ZBTRVBUXZYILOO-BJOHPYRUSA-N -1 1 386.426 2.776 20 5 GFBDMM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000443300456 563800005 /nfs/dbraw/zinc/80/00/05/563800005.db2.gz XURXSNWQPDBZMM-UHFFFAOYSA-N -1 1 376.500 2.902 20 5 GFBDMM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146335 563844321 /nfs/dbraw/zinc/84/43/21/563844321.db2.gz OLBLVXZXALWCQL-QMMMGPOBSA-N -1 1 398.188 2.958 20 5 GFBDMM COc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445396887 563848881 /nfs/dbraw/zinc/84/88/81/563848881.db2.gz AAJFHBGJHCRBHF-UHFFFAOYSA-N -1 1 396.157 2.522 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1csnn1 ZINC000416629628 563855341 /nfs/dbraw/zinc/85/53/41/563855341.db2.gz GYCOYZMVTPAYAN-ZCFIWIBFSA-N -1 1 382.345 2.505 20 5 GFBDMM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894584 564259298 /nfs/dbraw/zinc/25/92/98/564259298.db2.gz ATOLWKVKAQDPKP-HZMBPMFUSA-N -1 1 385.829 2.698 20 5 GFBDMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451847206 564358775 /nfs/dbraw/zinc/35/87/75/564358775.db2.gz XZSNWFXHHDGJSJ-LBPRGKRZSA-N -1 1 378.834 2.503 20 5 GFBDMM O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000548521726 564555740 /nfs/dbraw/zinc/55/57/40/564555740.db2.gz YGZUKVJADQCTCK-JTQLQIEISA-N -1 1 390.826 2.804 20 5 GFBDMM CN(Cc1ccc(F)cc1Br)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000485485365 564617185 /nfs/dbraw/zinc/61/71/85/564617185.db2.gz BBQKDCURZRRWME-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000525698052 564705474 /nfs/dbraw/zinc/70/54/74/564705474.db2.gz RHKCCHCKLUJARB-SECBINFHSA-N -1 1 386.227 2.792 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463159886 564870565 /nfs/dbraw/zinc/87/05/65/564870565.db2.gz CTULWYNDDKGPDF-UHFFFAOYSA-N -1 1 382.167 2.673 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 ZINC000532854485 564947315 /nfs/dbraw/zinc/94/73/15/564947315.db2.gz YYFRKUFFAFDASA-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)s1 ZINC000561555144 565002096 /nfs/dbraw/zinc/00/20/96/565002096.db2.gz BOYNFNWFTHURLA-NSHDSACASA-N -1 1 376.843 2.712 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000585739724 565109023 /nfs/dbraw/zinc/10/90/23/565109023.db2.gz AEUQMKYQRXHEQT-UHFFFAOYSA-N -1 1 380.813 2.646 20 5 GFBDMM COC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000590162182 565179348 /nfs/dbraw/zinc/17/93/48/565179348.db2.gz XZQPWLCSCNIDSW-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592074875 565252931 /nfs/dbraw/zinc/25/29/31/565252931.db2.gz GEARHMYPKOFVHF-JTQLQIEISA-N -1 1 378.834 2.504 20 5 GFBDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000595350672 565467433 /nfs/dbraw/zinc/46/74/33/565467433.db2.gz JCPNUAPHXIWAOU-SNVBAGLBSA-N -1 1 399.213 2.927 20 5 GFBDMM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383030 565471854 /nfs/dbraw/zinc/47/18/54/565471854.db2.gz YAYWQKYTLOSXAZ-ABAIWWIYSA-N -1 1 384.841 2.691 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)c(C)c1[N+](=O)[O-] ZINC000598736147 565638603 /nfs/dbraw/zinc/63/86/03/565638603.db2.gz ULJMPJBZEMXKHT-UHFFFAOYSA-N -1 1 389.231 2.508 20 5 GFBDMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603901696 565917885 /nfs/dbraw/zinc/91/78/85/565917885.db2.gz GFNCIGMHOBHFSZ-VIFPVBQESA-N -1 1 380.198 2.819 20 5 GFBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000609030227 566028802 /nfs/dbraw/zinc/02/88/02/566028802.db2.gz NYRWCTAJRHHYQO-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1-c1nnn[n-]1 ZINC000826499041 607449506 /nfs/dbraw/zinc/44/95/06/607449506.db2.gz SVOLWVJQTXZSMN-UHFFFAOYSA-N -1 1 385.815 2.755 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1-c1nn[n-]n1 ZINC000826499041 607449507 /nfs/dbraw/zinc/44/95/07/607449507.db2.gz SVOLWVJQTXZSMN-UHFFFAOYSA-N -1 1 385.815 2.755 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000826498629 607451352 /nfs/dbraw/zinc/45/13/52/607451352.db2.gz DBELHXXSACVMGE-UHFFFAOYSA-N -1 1 376.380 2.615 20 5 GFBDMM O=[N+]([O-])c1ccc(NCCc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000826498629 607451353 /nfs/dbraw/zinc/45/13/53/607451353.db2.gz DBELHXXSACVMGE-UHFFFAOYSA-N -1 1 376.380 2.615 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000826499207 607451376 /nfs/dbraw/zinc/45/13/76/607451376.db2.gz ZRHPJJINFIPYQS-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000826499207 607451378 /nfs/dbraw/zinc/45/13/78/607451378.db2.gz ZRHPJJINFIPYQS-HNNXBMFYSA-N -1 1 394.391 2.888 20 5 GFBDMM CN(Cc1ccc(Br)o1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825966098 607452069 /nfs/dbraw/zinc/45/20/69/607452069.db2.gz NWMMYXPAJMCFLC-UHFFFAOYSA-N -1 1 379.174 2.767 20 5 GFBDMM CN(Cc1ccc(Br)o1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825966098 607452071 /nfs/dbraw/zinc/45/20/71/607452071.db2.gz NWMMYXPAJMCFLC-UHFFFAOYSA-N -1 1 379.174 2.767 20 5 GFBDMM O=C([O-])CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000833205425 601443769 /nfs/dbraw/zinc/44/37/69/601443769.db2.gz FYHYLDCFDHFKAZ-UHFFFAOYSA-N -1 1 383.209 2.577 20 5 GFBDMM Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826256398 607550943 /nfs/dbraw/zinc/55/09/43/607550943.db2.gz HWCHQJHKVGZHDY-UHFFFAOYSA-N -1 1 391.185 2.820 20 5 GFBDMM Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826256398 607550945 /nfs/dbraw/zinc/55/09/45/607550945.db2.gz HWCHQJHKVGZHDY-UHFFFAOYSA-N -1 1 391.185 2.820 20 5 GFBDMM COc1cc(CN2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739861718 602533906 /nfs/dbraw/zinc/53/39/06/602533906.db2.gz ZUPWESJHWUABRF-SNVBAGLBSA-N -1 1 389.355 2.637 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000823635348 606645171 /nfs/dbraw/zinc/64/51/71/606645171.db2.gz WHHRGHIIPPJKRF-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(Br)cs1 ZINC000823624717 606700269 /nfs/dbraw/zinc/70/02/69/606700269.db2.gz GFHADBYGHFFUCQ-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(Br)cs1 ZINC000823624717 606700270 /nfs/dbraw/zinc/70/02/70/606700270.db2.gz GFHADBYGHFFUCQ-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000823625420 606700549 /nfs/dbraw/zinc/70/05/49/606700549.db2.gz UTQKPDBNDSIZCR-UHFFFAOYSA-N -1 1 388.338 2.792 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000823625420 606700550 /nfs/dbraw/zinc/70/05/50/606700550.db2.gz UTQKPDBNDSIZCR-UHFFFAOYSA-N -1 1 388.338 2.792 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC3 ZINC000826293332 609435283 /nfs/dbraw/zinc/43/52/83/609435283.db2.gz LGEPBEJFINWEOR-LLVKDONJSA-N -1 1 390.407 2.929 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC3 ZINC000826293332 609435285 /nfs/dbraw/zinc/43/52/85/609435285.db2.gz LGEPBEJFINWEOR-LLVKDONJSA-N -1 1 390.407 2.929 20 5 GFBDMM CCC(CC)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000818431010 660226040 /nfs/dbraw/zinc/22/60/40/660226040.db2.gz OYTMGKMZMMTXIU-UHFFFAOYSA-N -1 1 382.797 2.557 20 5 GFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]1SC ZINC000828154975 660537968 /nfs/dbraw/zinc/53/79/68/660537968.db2.gz HXANCLWQHJHKTC-XWIASGKRSA-N -1 1 398.865 2.575 20 5 GFBDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524439 660784252 /nfs/dbraw/zinc/78/42/52/660784252.db2.gz OJBRJOKPMLHKKX-JMCQJSRRSA-N -1 1 383.253 2.993 20 5 GFBDMM O=C(Nc1ccncc1[O-])c1cc(I)cc([N+](=O)[O-])c1 ZINC000130242908 654885599 /nfs/dbraw/zinc/88/55/99/654885599.db2.gz PUZWABJZNJINPY-UHFFFAOYSA-N -1 1 385.117 2.552 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)s1 ZINC000066000842 654892518 /nfs/dbraw/zinc/89/25/18/654892518.db2.gz MXRCQXPROBTGHW-UHFFFAOYSA-N -1 1 382.467 2.520 20 5 GFBDMM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066920277 654921719 /nfs/dbraw/zinc/92/17/19/654921719.db2.gz OMEIZCQSTBLIBV-UHFFFAOYSA-N -1 1 386.451 2.550 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167282315 655142760 /nfs/dbraw/zinc/14/27/60/655142760.db2.gz CUUVDVFZRFDEAD-GLQYFDAESA-N -1 1 386.857 2.874 20 5 GFBDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000116712112 655252239 /nfs/dbraw/zinc/25/22/39/655252239.db2.gz BPFUFUYTHJNRCW-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM CCSCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000312502504 655379779 /nfs/dbraw/zinc/37/97/79/655379779.db2.gz ABOASWHPADAICI-UHFFFAOYSA-N -1 1 383.289 2.779 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccn1 ZINC000194190045 655414633 /nfs/dbraw/zinc/41/46/33/655414633.db2.gz PZXWEBWBFMVFPO-VIFPVBQESA-N -1 1 386.227 2.792 20 5 GFBDMM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2c1 ZINC000725827747 655527368 /nfs/dbraw/zinc/52/73/68/655527368.db2.gz YZYKMKIJHBXWFK-UHFFFAOYSA-N -1 1 380.813 2.683 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000751421798 655826815 /nfs/dbraw/zinc/82/68/15/655826815.db2.gz GNGVJAMQMNIHTK-NSHDSACASA-N -1 1 392.767 2.538 20 5 GFBDMM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751987411 655837859 /nfs/dbraw/zinc/83/78/59/655837859.db2.gz MKTURPNLYSDUCK-XHDPSFHLSA-N -1 1 376.862 2.978 20 5 GFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777976443 656848658 /nfs/dbraw/zinc/84/86/58/656848658.db2.gz OPPJMCDLGWVZLZ-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778010544 656852486 /nfs/dbraw/zinc/85/24/86/656852486.db2.gz OWUPJKWPLRDHRR-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795821754 658854652 /nfs/dbraw/zinc/85/46/52/658854652.db2.gz CWWGSPXYWYRVDG-OIBJUYFYSA-N -1 1 381.223 2.963 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000795960201 658876929 /nfs/dbraw/zinc/87/69/29/658876929.db2.gz IWCDRGINBBOIAD-ZETCQYMHSA-N -1 1 399.263 2.528 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000808351282 659891730 /nfs/dbraw/zinc/89/17/30/659891730.db2.gz ORJYXCMQTLSFNJ-LBPRGKRZSA-N -1 1 386.788 2.669 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)cc1Cl ZINC000809819449 659942390 /nfs/dbraw/zinc/94/23/90/659942390.db2.gz UPRPTTXRNFVDMX-CYBMUJFWSA-N -1 1 380.825 2.607 20 5 GFBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC(C)C ZINC000809821933 659943396 /nfs/dbraw/zinc/94/33/96/659943396.db2.gz VPQKFYUGVIWFDR-VIFPVBQESA-N -1 1 396.824 2.501 20 5 GFBDMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822948 659943773 /nfs/dbraw/zinc/94/37/73/659943773.db2.gz DZCFIVDQRBBZAV-CYBMUJFWSA-N -1 1 399.252 2.912 20 5 GFBDMM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809823912 659944075 /nfs/dbraw/zinc/94/40/75/659944075.db2.gz VTEPMYLSQJWAAC-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825057 659944374 /nfs/dbraw/zinc/94/43/74/659944374.db2.gz YFXQBJHUALNCAG-ZDUSSCGKSA-N -1 1 388.804 2.708 20 5 GFBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809833288 659946879 /nfs/dbraw/zinc/94/68/79/659946879.db2.gz RVVVLCIHLFEGRF-CYBMUJFWSA-N -1 1 397.280 2.977 20 5 GFBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809832711 659946982 /nfs/dbraw/zinc/94/69/82/659946982.db2.gz MNYGMIHGVACNAC-JTQLQIEISA-N -1 1 394.852 2.854 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000814989243 660100320 /nfs/dbraw/zinc/10/03/20/660100320.db2.gz HTNAOCAFORHYDT-JTQLQIEISA-N -1 1 386.788 2.669 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000815017090 660101909 /nfs/dbraw/zinc/10/19/09/660101909.db2.gz FSYDEGUUTIXWTA-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000815019652 660102562 /nfs/dbraw/zinc/10/25/62/660102562.db2.gz LWNVRIDTCSPFMD-SNVBAGLBSA-N -1 1 394.833 2.851 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000815022281 660102905 /nfs/dbraw/zinc/10/29/05/660102905.db2.gz NIRGKONIDCRRRY-LBPRGKRZSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c1Cl ZINC000849468908 661731793 /nfs/dbraw/zinc/73/17/93/661731793.db2.gz JOBWIYGSNWGVPN-UHFFFAOYSA-N -1 1 395.264 2.731 20 5 GFBDMM O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870160886 662677087 /nfs/dbraw/zinc/67/70/87/662677087.db2.gz XKRFSMHSLLNEIO-UHFFFAOYSA-N -1 1 381.841 2.973 20 5 GFBDMM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1[N-]S(C)(=O)=O ZINC000031911694 551130680 /nfs/dbraw/zinc/13/06/80/551130680.db2.gz VGVWOQUTWYETAC-UHFFFAOYSA-N -1 1 385.423 2.597 20 5 GFBDMM COc1ccsc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000121937550 551293243 /nfs/dbraw/zinc/29/32/43/551293243.db2.gz CYZSJLKBHCGNEW-UHFFFAOYSA-N -1 1 380.407 2.856 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000125509825 551322210 /nfs/dbraw/zinc/32/22/10/551322210.db2.gz ITVHPFJRHLWCIN-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160192766 551576973 /nfs/dbraw/zinc/57/69/73/551576973.db2.gz OWLKXXRDJRJKEE-UHFFFAOYSA-N -1 1 375.244 2.826 20 5 GFBDMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175133851 552116445 /nfs/dbraw/zinc/11/64/45/552116445.db2.gz SUQUPYUMNVVBSW-BXUZGUMPSA-N -1 1 376.862 2.978 20 5 GFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Br)c([O-])c1 ZINC000179144581 552185581 /nfs/dbraw/zinc/18/55/81/552185581.db2.gz QWSUGFHXENQHBI-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM O=C(N[C@@H]1CCc2c1cccc2Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188387795 552443791 /nfs/dbraw/zinc/44/37/91/552443791.db2.gz GIRLUHCIXQQCOW-GFCCVEGCSA-N -1 1 378.182 2.875 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)s1 ZINC000190937900 552513969 /nfs/dbraw/zinc/51/39/69/552513969.db2.gz PKDJXEGVXODMMO-UHFFFAOYSA-N -1 1 378.378 2.779 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000191796821 552538399 /nfs/dbraw/zinc/53/83/99/552538399.db2.gz ZCWLKNZJMOIKNB-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM Cc1sc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000447274723 563879021 /nfs/dbraw/zinc/87/90/21/563879021.db2.gz OSGYZHJXNVJPKW-UHFFFAOYSA-N -1 1 383.386 2.690 20 5 GFBDMM CCC[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000510486904 564335962 /nfs/dbraw/zinc/33/59/62/564335962.db2.gz CSKCPLULBPRJQW-ZDUSSCGKSA-N -1 1 393.259 2.595 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000476606518 564347334 /nfs/dbraw/zinc/34/73/34/564347334.db2.gz PNAHTSAUJMGBKH-LURJTMIESA-N -1 1 391.165 2.834 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000477094412 564364566 /nfs/dbraw/zinc/36/45/66/564364566.db2.gz ALPHKLRYOIOYAM-GFCCVEGCSA-N -1 1 392.861 2.893 20 5 GFBDMM CC1(C2([N-]S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000451989918 564376665 /nfs/dbraw/zinc/37/66/65/564376665.db2.gz CJDLALVGEYULBB-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452089306 564390896 /nfs/dbraw/zinc/39/08/96/564390896.db2.gz PQSNGIVFECEVQH-CYBMUJFWSA-N -1 1 388.492 2.900 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3ncsc3c2)cc([N+](=O)[O-])c1 ZINC000479507852 564442576 /nfs/dbraw/zinc/44/25/76/564442576.db2.gz BAFXMELBIAKJJB-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525700145 564705292 /nfs/dbraw/zinc/70/52/92/564705292.db2.gz FMXIDEGGIMNZCQ-UHFFFAOYSA-N -1 1 385.829 2.699 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1cccc(Cl)c1Cl ZINC000525699989 564705712 /nfs/dbraw/zinc/70/57/12/564705712.db2.gz JLHNDJZOZLYAQK-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000581095221 564787681 /nfs/dbraw/zinc/78/76/81/564787681.db2.gz UKUDKTJRKIUDTI-HSZRJFAPSA-N -1 1 388.854 2.928 20 5 GFBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000530664311 564890906 /nfs/dbraw/zinc/89/09/06/564890906.db2.gz IKCSBAFMMNOANB-NSHDSACASA-N -1 1 385.829 2.779 20 5 GFBDMM O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000498888377 564912063 /nfs/dbraw/zinc/91/20/63/564912063.db2.gz FWBROKZIDZTRMU-UHFFFAOYSA-N -1 1 376.170 2.545 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 ZINC000533179597 564957367 /nfs/dbraw/zinc/95/73/67/564957367.db2.gz VSYYHEYXXANBNJ-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533635425 564968236 /nfs/dbraw/zinc/96/82/36/564968236.db2.gz DAMRBANSTMQEEP-CYBMUJFWSA-N -1 1 386.861 2.764 20 5 GFBDMM CCCOc1ccc2c(c1)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000821134252 607383128 /nfs/dbraw/zinc/38/31/28/607383128.db2.gz QFZNXEVKYSRUJA-UHFFFAOYSA-N -1 1 381.396 2.521 20 5 GFBDMM CCCOc1ccc2c(c1)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000821134252 607383130 /nfs/dbraw/zinc/38/31/30/607383130.db2.gz QFZNXEVKYSRUJA-UHFFFAOYSA-N -1 1 381.396 2.521 20 5 GFBDMM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082022 600187404 /nfs/dbraw/zinc/18/74/04/600187404.db2.gz SYQLZFAUDQLQBP-CQSZACIVSA-N -1 1 384.392 2.539 20 5 GFBDMM COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826220374 607451715 /nfs/dbraw/zinc/45/17/15/607451715.db2.gz LVZTURWIYDWLSP-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826220374 607451716 /nfs/dbraw/zinc/45/17/16/607451716.db2.gz LVZTURWIYDWLSP-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000827443072 601381213 /nfs/dbraw/zinc/38/12/13/601381213.db2.gz YBMBWQQLCHRVBA-MNOVXSKESA-N -1 1 392.437 2.698 20 5 GFBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1c(F)cccc1F ZINC000826451177 607523259 /nfs/dbraw/zinc/52/32/59/607523259.db2.gz UBRFOZPBSONYTF-UHFFFAOYSA-N -1 1 380.698 2.959 20 5 GFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830433744 604013956 /nfs/dbraw/zinc/01/39/56/604013956.db2.gz WOLFYMPPYHLPTI-UHFFFAOYSA-N -1 1 377.378 2.745 20 5 GFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833237 605900602 /nfs/dbraw/zinc/90/06/02/605900602.db2.gz XBKRHAOTPGAWKT-UTUOFQBUSA-N -1 1 375.385 2.684 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000823635451 606646012 /nfs/dbraw/zinc/64/60/12/606646012.db2.gz WQKPYZRHPKGJKP-CQSZACIVSA-N -1 1 380.364 2.845 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cc2cccc(F)c2)CC1 ZINC000823620910 606699796 /nfs/dbraw/zinc/69/97/96/606699796.db2.gz SKDBMEOLQXJERO-UHFFFAOYSA-N -1 1 383.387 2.768 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cc2cccc(F)c2)CC1 ZINC000823620910 606699798 /nfs/dbraw/zinc/69/97/98/606699798.db2.gz SKDBMEOLQXJERO-UHFFFAOYSA-N -1 1 383.387 2.768 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccc(C(F)(F)F)c1 ZINC000823625614 606700744 /nfs/dbraw/zinc/70/07/44/606700744.db2.gz ZWEXZTGVXVSJIF-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccc(C(F)(F)F)c1 ZINC000823625614 606700746 /nfs/dbraw/zinc/70/07/46/606700746.db2.gz ZWEXZTGVXVSJIF-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000823621150 606712914 /nfs/dbraw/zinc/71/29/14/606712914.db2.gz XDGAYTFQEIZEMF-GZMMTYOYSA-N -1 1 375.751 2.930 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000823621150 606712916 /nfs/dbraw/zinc/71/29/16/606712916.db2.gz XDGAYTFQEIZEMF-GZMMTYOYSA-N -1 1 375.751 2.930 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1cccc2ccccc21 ZINC000823624586 607163325 /nfs/dbraw/zinc/16/33/25/607163325.db2.gz DRQJFXIDDWWPSH-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1cccc2ccccc21 ZINC000823624586 607163326 /nfs/dbraw/zinc/16/33/26/607163326.db2.gz DRQJFXIDDWWPSH-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc2ccccc2c1 ZINC000823625601 607165329 /nfs/dbraw/zinc/16/53/29/607165329.db2.gz ZFKDVVKWNPMSRL-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc2ccccc2c1 ZINC000823625601 607165330 /nfs/dbraw/zinc/16/53/30/607165330.db2.gz ZFKDVVKWNPMSRL-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826455284 609239349 /nfs/dbraw/zinc/23/93/49/609239349.db2.gz HUVWIAYOMGQRPC-UHFFFAOYSA-N -1 1 395.198 2.851 20 5 GFBDMM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826455284 609239350 /nfs/dbraw/zinc/23/93/50/609239350.db2.gz HUVWIAYOMGQRPC-UHFFFAOYSA-N -1 1 395.198 2.851 20 5 GFBDMM O=[N+]([O-])c1ccc(F)cc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826498510 609280234 /nfs/dbraw/zinc/28/02/34/609280234.db2.gz YDZRQNKBGYPPAS-UHFFFAOYSA-N -1 1 398.333 2.851 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 ZINC000826501522 609450077 /nfs/dbraw/zinc/45/00/77/609450077.db2.gz UMMJKTJADCEHBT-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000819926900 660275428 /nfs/dbraw/zinc/27/54/28/660275428.db2.gz WJUPIBAQZIPFDF-RNLVFQAGSA-N -1 1 379.207 2.573 20 5 GFBDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633563 660668071 /nfs/dbraw/zinc/66/80/71/660668071.db2.gz SHKZTKMXCMEJSI-ISVAXAHUSA-N -1 1 385.269 2.977 20 5 GFBDMM COc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000024101768 654542244 /nfs/dbraw/zinc/54/22/44/654542244.db2.gz FIJYYMBARIAUEZ-UHFFFAOYSA-N -1 1 388.785 2.772 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129171659 654858816 /nfs/dbraw/zinc/85/88/16/654858816.db2.gz MCXFDARSJXVDHK-XHDPSFHLSA-N -1 1 384.841 2.519 20 5 GFBDMM Cc1cccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000103156080 655067828 /nfs/dbraw/zinc/06/78/28/655067828.db2.gz NNOWJTWQHOXSRV-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1 ZINC000159309929 655113168 /nfs/dbraw/zinc/11/31/68/655113168.db2.gz AAJAPIBBMNWTEH-CYBMUJFWSA-N -1 1 391.232 2.914 20 5 GFBDMM CN(CCc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106919586 655114659 /nfs/dbraw/zinc/11/46/59/655114659.db2.gz HTVFJDUEWVSWGO-UHFFFAOYSA-N -1 1 380.198 2.773 20 5 GFBDMM CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119591471 655308142 /nfs/dbraw/zinc/30/81/42/655308142.db2.gz FSXTXQNENXQLNW-UHFFFAOYSA-N -1 1 383.451 2.873 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000119870768 655318952 /nfs/dbraw/zinc/31/89/52/655318952.db2.gz OZUIDMIUKUSLTE-UHFFFAOYSA-N -1 1 379.419 2.692 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000753378479 655853361 /nfs/dbraw/zinc/85/33/61/655853361.db2.gz SWLFXWNDBKZGCX-GFCCVEGCSA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762524563 656045997 /nfs/dbraw/zinc/04/59/97/656045997.db2.gz HYLVFDLUGABQAK-JLLWLGSASA-N -1 1 394.927 2.906 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000763364075 656080837 /nfs/dbraw/zinc/08/08/37/656080837.db2.gz KDIJADIFAZLREJ-SNVBAGLBSA-N -1 1 378.834 2.647 20 5 GFBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000841528149 661291338 /nfs/dbraw/zinc/29/13/38/661291338.db2.gz REVSYBCGANARNZ-SECBINFHSA-N -1 1 380.825 2.871 20 5 GFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccnn1C ZINC000788075849 657646920 /nfs/dbraw/zinc/64/69/20/657646920.db2.gz BKVOXJZXJANEAT-LBPRGKRZSA-N -1 1 386.861 2.700 20 5 GFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCOC2)ccc1Br ZINC000795344537 658808954 /nfs/dbraw/zinc/80/89/54/658808954.db2.gz CIWPJVDTOKSLIX-VIFPVBQESA-N -1 1 379.232 2.526 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000795876374 658865644 /nfs/dbraw/zinc/86/56/44/658865644.db2.gz GUVSXRCDCLSRKC-SSDOTTSWSA-N -1 1 399.263 2.670 20 5 GFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000800927854 659351072 /nfs/dbraw/zinc/35/10/72/659351072.db2.gz FFSDGIDQKJADBM-UHFFFAOYSA-N -1 1 388.760 2.959 20 5 GFBDMM CCOC(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809389562 659925750 /nfs/dbraw/zinc/92/57/50/659925750.db2.gz KQMIAQBPVOISNE-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822586 659943738 /nfs/dbraw/zinc/94/37/38/659943738.db2.gz PGSGVCBDNFQVIP-SECBINFHSA-N -1 1 385.269 2.979 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOCc2ccccc2)cc1Cl ZINC000809823885 659944016 /nfs/dbraw/zinc/94/40/16/659944016.db2.gz GXZAQTCBPPTSPT-UHFFFAOYSA-N -1 1 388.804 2.882 20 5 GFBDMM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835053 659947188 /nfs/dbraw/zinc/94/71/88/659947188.db2.gz HPNOHTIIPVBAAT-MRVPVSSYSA-N -1 1 389.792 2.830 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCOC(F)F)c(Cl)cc1Cl ZINC000809843198 659948375 /nfs/dbraw/zinc/94/83/75/659948375.db2.gz LJBWWXTTWFQGHO-UHFFFAOYSA-N -1 1 379.168 2.809 20 5 GFBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815006527 660100844 /nfs/dbraw/zinc/10/08/44/660100844.db2.gz GSYPGDKZOZRYEE-UHFFFAOYSA-N -1 1 387.820 2.932 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000815017403 660101922 /nfs/dbraw/zinc/10/19/22/660101922.db2.gz KINSSDNPJYWXFR-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029489 660104275 /nfs/dbraw/zinc/10/42/75/660104275.db2.gz VEEHCAATDYVJOF-ZANVPECISA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)cc1Cl ZINC000845980666 661517209 /nfs/dbraw/zinc/51/72/09/661517209.db2.gz RYXQEYDCNZBAGN-OAHLLOKOSA-N -1 1 392.836 2.871 20 5 GFBDMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859300389 662151852 /nfs/dbraw/zinc/15/18/52/662151852.db2.gz YVIIFUFORDWTAI-VIFPVBQESA-N -1 1 385.269 2.977 20 5 GFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000863438465 662332384 /nfs/dbraw/zinc/33/23/84/662332384.db2.gz BUXYBSYMZIUZQX-UHFFFAOYSA-N -1 1 382.295 2.595 20 5 GFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000156349347 551521007 /nfs/dbraw/zinc/52/10/07/551521007.db2.gz SVNSYCSWFAMMPI-JTQLQIEISA-N -1 1 393.259 2.593 20 5 GFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000180187155 552216618 /nfs/dbraw/zinc/21/66/18/552216618.db2.gz FAPIRPYFCRFEJS-LLVKDONJSA-N -1 1 378.378 2.601 20 5 GFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1[N+](=O)[O-] ZINC000189244795 552466564 /nfs/dbraw/zinc/46/65/64/552466564.db2.gz AJMJDRHJVHTUME-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000289875275 563690106 /nfs/dbraw/zinc/69/01/06/563690106.db2.gz OATMTSQSQOHWFZ-TVQRCGJNSA-N -1 1 378.809 2.623 20 5 GFBDMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000416499358 563839261 /nfs/dbraw/zinc/83/92/61/563839261.db2.gz YLVHPGURSZYQSX-UHFFFAOYSA-N -1 1 379.316 2.643 20 5 GFBDMM CSc1cccc(C(=O)[N-]c2nnc(-c3nccn3C)s2)c1[N+](=O)[O-] ZINC000368883292 563881179 /nfs/dbraw/zinc/88/11/79/563881179.db2.gz YMEPZLPOGLGHSW-UHFFFAOYSA-N -1 1 376.423 2.821 20 5 GFBDMM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540069758 564239310 /nfs/dbraw/zinc/23/93/10/564239310.db2.gz IYVNRUXALYYFDY-MEBBXXQBSA-N -1 1 386.451 2.719 20 5 GFBDMM COC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000451615691 564331989 /nfs/dbraw/zinc/33/19/89/564331989.db2.gz QGMFIHZUHYYOIV-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM CC[C@H](C)N[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434315 564333137 /nfs/dbraw/zinc/33/31/37/564333137.db2.gz CWKHBYAQMMXQPB-JQWIXIFHSA-N -1 1 387.483 2.965 20 5 GFBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000573379600 564635550 /nfs/dbraw/zinc/63/55/50/564635550.db2.gz BKQVKWQKGADUMB-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000488769428 564720136 /nfs/dbraw/zinc/72/01/36/564720136.db2.gz ZDGBEGHLLIHUJM-SNVBAGLBSA-N -1 1 375.244 2.992 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468805025 564994522 /nfs/dbraw/zinc/99/45/22/564994522.db2.gz CXSHEDCQMURAAA-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000537208317 565055109 /nfs/dbraw/zinc/05/51/09/565055109.db2.gz DOGHMHLSCHDQSL-UHFFFAOYSA-N -1 1 377.411 2.530 20 5 GFBDMM O=Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Br)c1 ZINC000823557255 599192076 /nfs/dbraw/zinc/19/20/76/599192076.db2.gz HTFAUPYZNIIRAP-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Br)c1 ZINC000823557255 599192078 /nfs/dbraw/zinc/19/20/78/599192078.db2.gz HTFAUPYZNIIRAP-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000826499208 607451104 /nfs/dbraw/zinc/45/11/04/607451104.db2.gz ZRHPJJINFIPYQS-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000826499208 607451106 /nfs/dbraw/zinc/45/11/06/607451106.db2.gz ZRHPJJINFIPYQS-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM COc1ccccc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826220375 607452014 /nfs/dbraw/zinc/45/20/14/607452014.db2.gz LVZTURWIYDWLSP-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM COc1ccccc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826220375 607452015 /nfs/dbraw/zinc/45/20/15/607452015.db2.gz LVZTURWIYDWLSP-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM Cc1nn(-c2ccccc2)c(CSc2ccc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000822486657 607466969 /nfs/dbraw/zinc/46/69/69/607466969.db2.gz RMZCVUCFOATAFS-UHFFFAOYSA-N -1 1 394.420 2.956 20 5 GFBDMM C[C@@H](CN(Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736584076 601089082 /nfs/dbraw/zinc/08/90/82/601089082.db2.gz OXGLGXXKDOLGNT-ZDUSSCGKSA-N -1 1 385.376 2.683 20 5 GFBDMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598661587 601091740 /nfs/dbraw/zinc/09/17/40/601091740.db2.gz JDEYSXJZGQNGOI-LRDDRELGSA-N -1 1 386.408 2.967 20 5 GFBDMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833344592 601383509 /nfs/dbraw/zinc/38/35/09/601383509.db2.gz DNADRISDRAEROZ-UHFFFAOYSA-N -1 1 392.176 2.796 20 5 GFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739062517 602537063 /nfs/dbraw/zinc/53/70/63/602537063.db2.gz GTOOZPXMUHRUFV-NWDGAFQWSA-N -1 1 375.385 2.638 20 5 GFBDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000739924239 602652684 /nfs/dbraw/zinc/65/26/84/602652684.db2.gz QHYVSDOPZGWASP-UHFFFAOYSA-N -1 1 381.366 2.803 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830137742 604014143 /nfs/dbraw/zinc/01/41/43/604014143.db2.gz GRFVQNMPCPYQDM-UHFFFAOYSA-N -1 1 377.378 2.745 20 5 GFBDMM COc1cccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000832510134 604281134 /nfs/dbraw/zinc/28/11/34/604281134.db2.gz BUCLVDCHTZQBGB-UHFFFAOYSA-N -1 1 382.332 2.944 20 5 GFBDMM O=C([O-])N1CCC2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CC1 ZINC000834091900 605862887 /nfs/dbraw/zinc/86/28/87/605862887.db2.gz LPESZNFHKBVDQF-UHFFFAOYSA-N -1 1 385.424 2.882 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCCCCC2)nc1 ZINC000823624940 606698497 /nfs/dbraw/zinc/69/84/97/606698497.db2.gz LLUHAZKOZBODNH-UHFFFAOYSA-N -1 1 395.427 2.557 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCCCCC2)nc1 ZINC000823624940 606698498 /nfs/dbraw/zinc/69/84/98/606698498.db2.gz LLUHAZKOZBODNH-UHFFFAOYSA-N -1 1 395.427 2.557 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(F)cc(Br)c1 ZINC000823625023 606701860 /nfs/dbraw/zinc/70/18/60/606701860.db2.gz ODZIOVKMGVPJDK-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(F)cc(Br)c1 ZINC000823625023 606701861 /nfs/dbraw/zinc/70/18/61/606701861.db2.gz ODZIOVKMGVPJDK-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM COc1cccc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000821863155 606704548 /nfs/dbraw/zinc/70/45/48/606704548.db2.gz IILOVGZMVCZGDM-UHFFFAOYSA-N -1 1 381.396 2.563 20 5 GFBDMM COc1cccc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000821863155 606704549 /nfs/dbraw/zinc/70/45/49/606704549.db2.gz IILOVGZMVCZGDM-UHFFFAOYSA-N -1 1 381.396 2.563 20 5 GFBDMM Cc1cc(C)n(-c2ccccc2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822197943 606723389 /nfs/dbraw/zinc/72/33/89/606723389.db2.gz VQXUUPJIMBRPRX-UHFFFAOYSA-N -1 1 391.395 2.585 20 5 GFBDMM Cc1cc(C)n(-c2ccccc2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822197943 606723391 /nfs/dbraw/zinc/72/33/91/606723391.db2.gz VQXUUPJIMBRPRX-UHFFFAOYSA-N -1 1 391.395 2.585 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497858 609172830 /nfs/dbraw/zinc/17/28/30/609172830.db2.gz WVJIQRYYRYVVIX-AWEZNQCLSA-N -1 1 395.427 2.971 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497858 609172831 /nfs/dbraw/zinc/17/28/31/609172831.db2.gz WVJIQRYYRYVVIX-AWEZNQCLSA-N -1 1 395.427 2.971 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127789334 654834212 /nfs/dbraw/zinc/83/42/12/654834212.db2.gz WPRCTSPJXYJBMD-SMDDNHRTSA-N -1 1 376.862 2.858 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)s1 ZINC000102412660 655054838 /nfs/dbraw/zinc/05/48/38/655054838.db2.gz ZLRGIQMBTOBGSB-UHFFFAOYSA-N -1 1 378.378 2.779 20 5 GFBDMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246485103 655430154 /nfs/dbraw/zinc/43/01/54/655430154.db2.gz ARFGBAQLKPTOPA-MNDBLIDSSA-N -1 1 394.902 2.606 20 5 GFBDMM CO[C@H](CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000786874661 657478259 /nfs/dbraw/zinc/47/82/59/657478259.db2.gz ZMKRPXIWCNXQCW-SNVBAGLBSA-N -1 1 390.767 2.802 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)Cn1cccn1 ZINC000791422214 658095322 /nfs/dbraw/zinc/09/53/22/658095322.db2.gz AYSICDROPYSQFI-SECBINFHSA-N -1 1 393.252 2.713 20 5 GFBDMM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796101656 658891663 /nfs/dbraw/zinc/89/16/63/658891663.db2.gz DIDIMGDXVTXQIF-ZBEGNZNMSA-N -1 1 384.841 2.957 20 5 GFBDMM COC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC000796344915 658913772 /nfs/dbraw/zinc/91/37/72/658913772.db2.gz MDLGQMQOSTWNFF-UHFFFAOYSA-N -1 1 383.154 2.829 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)cc1Cl ZINC000798225930 659085454 /nfs/dbraw/zinc/08/54/54/659085454.db2.gz RSSBMUDQRFJJFB-SNVBAGLBSA-N -1 1 386.788 2.669 20 5 GFBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227925 659086369 /nfs/dbraw/zinc/08/63/69/659086369.db2.gz ATCFQSPXAUKILD-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)cc1Cl ZINC000798228045 659086591 /nfs/dbraw/zinc/08/65/91/659086591.db2.gz FKIJDDLCFPMDLF-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM Cn1c(=O)[nH]c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000799555793 659198340 /nfs/dbraw/zinc/19/83/40/659198340.db2.gz FKDCWSLYCWOLLV-UHFFFAOYSA-N -1 1 382.785 2.641 20 5 GFBDMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809806455 659939955 /nfs/dbraw/zinc/93/99/55/659939955.db2.gz NQISJTVOPAZYHR-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825055 659944272 /nfs/dbraw/zinc/94/42/72/659944272.db2.gz YFXQBJHUALNCAG-CYBMUJFWSA-N -1 1 388.804 2.708 20 5 GFBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1(C)C ZINC000809825286 659944417 /nfs/dbraw/zinc/94/44/17/659944417.db2.gz MRLZGRQQGPYWDN-NEPJUHHUSA-N -1 1 383.253 2.993 20 5 GFBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1 ZINC000809829515 659945572 /nfs/dbraw/zinc/94/55/72/659945572.db2.gz CNCCTHCSXQEQPV-ZETCQYMHSA-N -1 1 391.812 2.668 20 5 GFBDMM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000809829515 659945573 /nfs/dbraw/zinc/94/55/73/659945573.db2.gz CNCCTHCSXQEQPV-ZETCQYMHSA-N -1 1 391.812 2.668 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000814977866 660099595 /nfs/dbraw/zinc/09/95/95/660099595.db2.gz FYNXURMMEMTNFA-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035918 660105421 /nfs/dbraw/zinc/10/54/21/660105421.db2.gz QLEGPSWPMONYFA-QMMMGPOBSA-N -1 1 389.792 2.830 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000815047134 660106872 /nfs/dbraw/zinc/10/68/72/660106872.db2.gz KKXVRLLXHMUSRM-PSLIRLAXSA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815095213 660111806 /nfs/dbraw/zinc/11/18/06/660111806.db2.gz TWHMKHCRWNZIEB-ISVAXAHUSA-N -1 1 383.253 2.731 20 5 GFBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000841558708 661300596 /nfs/dbraw/zinc/30/05/96/661300596.db2.gz JXMMZFDLGDQDFX-XLKFXECMSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(Cl)cc1Cl ZINC000846018177 661522325 /nfs/dbraw/zinc/52/23/25/661522325.db2.gz DUSDMNWHYPRYTD-UHFFFAOYSA-N -1 1 383.253 2.733 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2SCCS2)c1Cl ZINC000851835069 661837081 /nfs/dbraw/zinc/83/70/81/661837081.db2.gz CYORSNIXEWUTHY-UHFFFAOYSA-N -1 1 389.307 2.986 20 5 GFBDMM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856916 661839416 /nfs/dbraw/zinc/83/94/16/661839416.db2.gz IRBHDRPZDVCZHA-ABAIWWIYSA-N -1 1 384.841 2.691 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859341794 662154243 /nfs/dbraw/zinc/15/42/43/662154243.db2.gz SMJKUZKIJFRRCY-ZNWBZCOPSA-N -1 1 383.253 2.992 20 5 GFBDMM CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000872668236 662784446 /nfs/dbraw/zinc/78/44/46/662784446.db2.gz XEAWOSFQVJERSP-UHFFFAOYSA-N -1 1 385.186 2.823 20 5 GFBDMM O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000493223687 531571468 /nfs/dbraw/zinc/57/14/68/531571468.db2.gz CBMPGDJVYQCQBW-UHFFFAOYSA-N -1 1 391.185 2.578 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000158314177 551549772 /nfs/dbraw/zinc/54/97/72/551549772.db2.gz ZNTVCNJUKHDSGX-UHFFFAOYSA-N -1 1 387.211 2.541 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)ccc1[O-] ZINC000327441816 563457950 /nfs/dbraw/zinc/45/79/50/563457950.db2.gz GVZIGKSVCQEAPH-UHFFFAOYSA-N -1 1 378.284 2.826 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)s1 ZINC000435584822 563653832 /nfs/dbraw/zinc/65/38/32/563653832.db2.gz NWEJNKHZAZZCOE-OIBJUYFYSA-N -1 1 378.353 2.908 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000289875271 563689707 /nfs/dbraw/zinc/68/97/07/563689707.db2.gz OATMTSQSQOHWFZ-RNCFNFMXSA-N -1 1 378.809 2.623 20 5 GFBDMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000437346682 563693973 /nfs/dbraw/zinc/69/39/73/563693973.db2.gz YHJFELRTGRWMHC-MRVPVSSYSA-N -1 1 391.858 2.891 20 5 GFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000438249264 563703441 /nfs/dbraw/zinc/70/34/41/563703441.db2.gz BZSXVPOSNGFFDW-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567437933 564372086 /nfs/dbraw/zinc/37/20/86/564372086.db2.gz MLKJGSQTAVBJBW-NEPJUHHUSA-N -1 1 378.182 2.744 20 5 GFBDMM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512448 564375359 /nfs/dbraw/zinc/37/53/59/564375359.db2.gz UQIXJHOMAVVHGK-OCCSQVGLSA-N -1 1 381.479 2.598 20 5 GFBDMM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548540120 564557290 /nfs/dbraw/zinc/55/72/90/564557290.db2.gz AKPQRPFOZOVEGG-GXFFZTMASA-N -1 1 397.236 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000490000838 564759282 /nfs/dbraw/zinc/75/92/82/564759282.db2.gz QIYKHCGOOYZRFR-UHFFFAOYSA-N -1 1 385.186 2.681 20 5 GFBDMM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557596189 564869453 /nfs/dbraw/zinc/86/94/53/564869453.db2.gz QEPXIZYMHFOIFR-LBPRGKRZSA-N -1 1 386.191 2.856 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000499675928 564933570 /nfs/dbraw/zinc/93/35/70/564933570.db2.gz LMYCSOYKBOCIKN-BMIGLBTASA-N -1 1 384.845 2.678 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]CCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000533635074 564968243 /nfs/dbraw/zinc/96/82/43/564968243.db2.gz HYWDTPCPFKPUHC-UHFFFAOYSA-N -1 1 393.252 2.639 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1 ZINC000533631679 564968345 /nfs/dbraw/zinc/96/83/45/564968345.db2.gz AOSYAKDQSVUPRI-VIFPVBQESA-N -1 1 387.487 2.605 20 5 GFBDMM CC[C@H](C)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000534065594 564978901 /nfs/dbraw/zinc/97/89/01/564978901.db2.gz RUOFZHOFYKQMFH-WKEGUHRASA-N -1 1 385.225 2.679 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000470608651 565050360 /nfs/dbraw/zinc/05/03/60/565050360.db2.gz ALPHKLRYOIOYAM-LBPRGKRZSA-N -1 1 392.861 2.893 20 5 GFBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000563136645 565056768 /nfs/dbraw/zinc/05/67/68/565056768.db2.gz ZUKGMIAZZVQREQ-DEOSSOPVSA-N -1 1 382.463 2.837 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])n1 ZINC000592100686 565255548 /nfs/dbraw/zinc/25/55/48/565255548.db2.gz UNBBUJOMBQJAPC-UHFFFAOYSA-N -1 1 384.845 2.822 20 5 GFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594847352 565429343 /nfs/dbraw/zinc/42/93/43/565429343.db2.gz DLOKGWDXGBHDTF-UHFFFAOYSA-N -1 1 395.275 2.841 20 5 GFBDMM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2c1 ZINC000604126862 565924424 /nfs/dbraw/zinc/92/44/24/565924424.db2.gz NEUXSRQBMFPZSP-UHFFFAOYSA-N -1 1 380.813 2.683 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000609512021 566041760 /nfs/dbraw/zinc/04/17/60/566041760.db2.gz WPGCWKKNQOCVMX-UHFFFAOYSA-N -1 1 386.813 2.729 20 5 GFBDMM Cn1c(-c2ccccc2)cnc1Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822590194 599316855 /nfs/dbraw/zinc/31/68/55/599316855.db2.gz JSOLBIKAMFKYNZ-UHFFFAOYSA-N -1 1 380.393 2.722 20 5 GFBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000821821758 599488089 /nfs/dbraw/zinc/48/80/89/599488089.db2.gz VMKIVIAEWYQQDH-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM COc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000821821758 599488092 /nfs/dbraw/zinc/48/80/92/599488092.db2.gz VMKIVIAEWYQQDH-UHFFFAOYSA-N -1 1 377.364 2.944 20 5 GFBDMM CCc1[nH]c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1C(=O)[O-] ZINC000737245222 599990211 /nfs/dbraw/zinc/99/02/11/599990211.db2.gz JBWVBTITSVZYBG-UHFFFAOYSA-N -1 1 384.352 2.529 20 5 GFBDMM Cc1cc(Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826267634 607573277 /nfs/dbraw/zinc/57/32/77/607573277.db2.gz OBZABWYEIIGLJV-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000833623050 605096336 /nfs/dbraw/zinc/09/63/36/605096336.db2.gz DGJNQMNPGGLCIU-ZDUSSCGKSA-N -1 1 377.441 2.513 20 5 GFBDMM CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H]1C ZINC000833658036 605174389 /nfs/dbraw/zinc/17/43/89/605174389.db2.gz QEIAHGBTPRCPET-OLZOCXBDSA-N -1 1 395.481 2.716 20 5 GFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833233 605900628 /nfs/dbraw/zinc/90/06/28/605900628.db2.gz XBKRHAOTPGAWKT-IJLUTSLNSA-N -1 1 375.385 2.684 20 5 GFBDMM CSc1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821979107 606238186 /nfs/dbraw/zinc/23/81/86/606238186.db2.gz PNEZPTHCAXUSOP-UHFFFAOYSA-N -1 1 391.438 2.538 20 5 GFBDMM CSc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821979107 606238188 /nfs/dbraw/zinc/23/81/88/606238188.db2.gz PNEZPTHCAXUSOP-UHFFFAOYSA-N -1 1 391.438 2.538 20 5 GFBDMM CN(Cc1cc(Br)cs1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607328 606697908 /nfs/dbraw/zinc/69/79/08/606697908.db2.gz KCKQLBMVOAWIPN-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM CN(Cc1cc(Br)cs1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821607328 606697910 /nfs/dbraw/zinc/69/79/10/606697910.db2.gz KCKQLBMVOAWIPN-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM CCCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821077629 606698202 /nfs/dbraw/zinc/69/82/02/606698202.db2.gz NWZILTMEVGOPDJ-UHFFFAOYSA-N -1 1 399.411 2.970 20 5 GFBDMM CCCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821077629 606698203 /nfs/dbraw/zinc/69/82/03/606698203.db2.gz NWZILTMEVGOPDJ-UHFFFAOYSA-N -1 1 399.411 2.970 20 5 GFBDMM Cc1ccc(C[C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc1 ZINC000822234867 606705481 /nfs/dbraw/zinc/70/54/81/606705481.db2.gz JUEQFPXYQRKHDU-HNNXBMFYSA-N -1 1 379.424 2.937 20 5 GFBDMM Cc1ccc(C[C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822234867 606705482 /nfs/dbraw/zinc/70/54/82/606705482.db2.gz JUEQFPXYQRKHDU-HNNXBMFYSA-N -1 1 379.424 2.937 20 5 GFBDMM CC(C)(C)OC(=O)Cc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000819927994 606713008 /nfs/dbraw/zinc/71/30/08/606713008.db2.gz FMSIIIRKVACXCG-UHFFFAOYSA-N -1 1 397.395 2.798 20 5 GFBDMM CC(C)(C)OC(=O)Cc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000819927994 606713009 /nfs/dbraw/zinc/71/30/09/606713009.db2.gz FMSIIIRKVACXCG-UHFFFAOYSA-N -1 1 397.395 2.798 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000823625394 607166720 /nfs/dbraw/zinc/16/67/20/607166720.db2.gz UDEMPGVHZCMTHM-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000823625394 607166721 /nfs/dbraw/zinc/16/67/21/607166721.db2.gz UDEMPGVHZCMTHM-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 ZINC000823656784 607166949 /nfs/dbraw/zinc/16/69/49/607166949.db2.gz IGZSMNCZCMIACD-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)cnc2Br)c(-c2nnn[n-]2)c1 ZINC000826500613 608416083 /nfs/dbraw/zinc/41/60/83/608416083.db2.gz FHNWUSSWDVWUQF-UHFFFAOYSA-N -1 1 398.564 2.773 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)cnc2Br)c(-c2nn[n-]n2)c1 ZINC000826500613 608416084 /nfs/dbraw/zinc/41/60/84/608416084.db2.gz FHNWUSSWDVWUQF-UHFFFAOYSA-N -1 1 398.564 2.773 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000831687874 660719691 /nfs/dbraw/zinc/71/96/91/660719691.db2.gz YDRQTRQFARLVHA-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063629251 654855467 /nfs/dbraw/zinc/85/54/67/654855467.db2.gz YAGSAHHKYQPAGE-UHFFFAOYSA-N -1 1 385.829 2.911 20 5 GFBDMM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001643 654892453 /nfs/dbraw/zinc/89/24/53/654892453.db2.gz GCGJDVPWVULGQU-QMMMGPOBSA-N -1 1 378.378 2.680 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000154602022 655077054 /nfs/dbraw/zinc/07/70/54/655077054.db2.gz VRLAJVYVZSWKQS-UHFFFAOYSA-N -1 1 388.804 2.882 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1 ZINC000159307593 655112964 /nfs/dbraw/zinc/11/29/64/655112964.db2.gz RMRJBTZIEYFTHJ-CYBMUJFWSA-N -1 1 391.232 2.914 20 5 GFBDMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1 ZINC000113303278 655207707 /nfs/dbraw/zinc/20/77/07/655207707.db2.gz YHCBCVYUWTUQKZ-UHFFFAOYSA-N -1 1 383.813 2.555 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1F ZINC000121042986 655347515 /nfs/dbraw/zinc/34/75/15/655347515.db2.gz DFRBZCVNDFRCJU-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000554685103 655422670 /nfs/dbraw/zinc/42/26/70/655422670.db2.gz PSLILAUGIGREQV-UHFFFAOYSA-N -1 1 389.593 2.860 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246171988 655429392 /nfs/dbraw/zinc/42/93/92/655429392.db2.gz CUUVDVFZRFDEAD-KCPJHIHWSA-N -1 1 386.857 2.874 20 5 GFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742321103 655715688 /nfs/dbraw/zinc/71/56/88/655715688.db2.gz JQUCWNBIZTVZHB-UHFFFAOYSA-N -1 1 385.785 2.677 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000775728422 656674867 /nfs/dbraw/zinc/67/48/67/656674867.db2.gz HXCFUMKLGBZHOP-GFCCVEGCSA-N -1 1 390.845 2.602 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000805121553 659744364 /nfs/dbraw/zinc/74/43/64/659744364.db2.gz QXEJSMOVNHNKRS-SNVBAGLBSA-N -1 1 396.368 2.687 20 5 GFBDMM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808354441 659892416 /nfs/dbraw/zinc/89/24/16/659892416.db2.gz MNMHRTRYLTZSSB-LBPRGKRZSA-N -1 1 376.843 2.976 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)cc1Cl ZINC000809806503 659939965 /nfs/dbraw/zinc/93/99/65/659939965.db2.gz AVUDPZANOVGYFU-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)cc1Cl ZINC000809807780 659940274 /nfs/dbraw/zinc/94/02/74/659940274.db2.gz SKNYXGDZTQUELR-JTQLQIEISA-N -1 1 386.788 2.669 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000809813714 659940892 /nfs/dbraw/zinc/94/08/92/659940892.db2.gz MOYFFTLEESBDHM-UHFFFAOYSA-N -1 1 386.788 2.801 20 5 GFBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819161 659942294 /nfs/dbraw/zinc/94/22/94/659942294.db2.gz NZBXMKXWMJQDBV-OQPBUACISA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000809820284 659942728 /nfs/dbraw/zinc/94/27/28/659942728.db2.gz SYVLXMZPPVGLPT-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822949 659943586 /nfs/dbraw/zinc/94/35/86/659943586.db2.gz DZCFIVDQRBBZAV-ZDUSSCGKSA-N -1 1 399.252 2.912 20 5 GFBDMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)sc1C ZINC000809822901 659943633 /nfs/dbraw/zinc/94/36/33/659943633.db2.gz VVAAXKCAWIZBDQ-UHFFFAOYSA-N -1 1 379.822 2.939 20 5 GFBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1(C)C ZINC000809825289 659944258 /nfs/dbraw/zinc/94/42/58/659944258.db2.gz MRLZGRQQGPYWDN-VXGBXAGGSA-N -1 1 383.253 2.993 20 5 GFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809827755 659945037 /nfs/dbraw/zinc/94/50/37/659945037.db2.gz CNDKFYVWASSJFO-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000809832901 659946921 /nfs/dbraw/zinc/94/69/21/659946921.db2.gz UVSHLIORWRWHBH-UONOGXRCSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)cc1Cl ZINC000809841789 659948023 /nfs/dbraw/zinc/94/80/23/659948023.db2.gz XFZHNKHJYSQZTB-AWEZNQCLSA-N -1 1 396.824 2.599 20 5 GFBDMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815095212 660111742 /nfs/dbraw/zinc/11/17/42/660111742.db2.gz TWHMKHCRWNZIEB-AMIZOPFISA-N -1 1 383.253 2.731 20 5 GFBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000842803065 661355464 /nfs/dbraw/zinc/35/54/64/661355464.db2.gz NCBMAYRKEITEMF-NSHDSACASA-N -1 1 379.232 2.524 20 5 GFBDMM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412568 661718836 /nfs/dbraw/zinc/71/88/36/661718836.db2.gz RTMVXZCPOXYWNC-VIFPVBQESA-N -1 1 379.841 2.538 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccn1C ZINC000851855733 661839244 /nfs/dbraw/zinc/83/92/44/661839244.db2.gz VGQSSEBEDZJZSB-ZETCQYMHSA-N -1 1 379.225 2.675 20 5 GFBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000125266396 551321343 /nfs/dbraw/zinc/32/13/43/551321343.db2.gz KXPUEAYKDHCWBD-LLVKDONJSA-N -1 1 376.843 2.630 20 5 GFBDMM COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1[N+](=O)[O-] ZINC000173013605 551692732 /nfs/dbraw/zinc/69/27/32/551692732.db2.gz UHAKVXALBNIJTK-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000180187137 552216589 /nfs/dbraw/zinc/21/65/89/552216589.db2.gz FAPIRPYFCRFEJS-NSHDSACASA-N -1 1 378.378 2.601 20 5 GFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000185799307 552370702 /nfs/dbraw/zinc/37/07/02/552370702.db2.gz OQELCNQQIQSQPR-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000190549937 552500934 /nfs/dbraw/zinc/50/09/34/552500934.db2.gz IIPKMPVIWNRMFL-WBMJQRKESA-N -1 1 384.479 2.564 20 5 GFBDMM O=c1cc(C2CC2)nc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000277838218 563228730 /nfs/dbraw/zinc/22/87/30/563228730.db2.gz ZEDJSNHDAKYQHK-UHFFFAOYSA-N -1 1 381.435 2.534 20 5 GFBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295244951 563238650 /nfs/dbraw/zinc/23/86/50/563238650.db2.gz YNKXTJNHNKOTJI-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM Cn1cc(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000290348114 563706221 /nfs/dbraw/zinc/70/62/21/563706221.db2.gz CELKBPZHOOFDJE-UHFFFAOYSA-N -1 1 393.252 2.546 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCOCC1 ZINC000290844456 563723638 /nfs/dbraw/zinc/72/36/38/563723638.db2.gz VUOFPAXQSDCCDV-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894586 564259512 /nfs/dbraw/zinc/25/95/12/564259512.db2.gz ATOLWKVKAQDPKP-IINYFYTJSA-N -1 1 385.829 2.698 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525688068 564705312 /nfs/dbraw/zinc/70/53/12/564705312.db2.gz NMOVVMPUIXBZAU-NEPJUHHUSA-N -1 1 398.238 2.587 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000525700109 564705655 /nfs/dbraw/zinc/70/56/55/564705655.db2.gz VHXFNTCHYMFILO-UHFFFAOYSA-N -1 1 376.419 2.592 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)s1 ZINC000462301297 564832578 /nfs/dbraw/zinc/83/25/78/564832578.db2.gz VSTNFJILDSHRIL-SECBINFHSA-N -1 1 376.362 2.737 20 5 GFBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CC ZINC000462574891 564849201 /nfs/dbraw/zinc/84/92/01/564849201.db2.gz QZRYRAVRHRCRIF-JOYOIKCWSA-N -1 1 378.834 2.504 20 5 GFBDMM Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000589557558 565166985 /nfs/dbraw/zinc/16/69/85/565166985.db2.gz ASVKNGRMYNJZAF-UHFFFAOYSA-N -1 1 377.300 2.823 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000619466493 565342583 /nfs/dbraw/zinc/34/25/83/565342583.db2.gz QGEQNXAWQNLXKT-UHFFFAOYSA-N -1 1 386.769 2.786 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664084 565353962 /nfs/dbraw/zinc/35/39/62/565353962.db2.gz LNAGTMPLDXCTQK-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000594849515 565429223 /nfs/dbraw/zinc/42/92/23/565429223.db2.gz BZKCZBKMORXKOR-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000599204008 565661447 /nfs/dbraw/zinc/66/14/47/565661447.db2.gz JEASLOIXKAGQFA-SSDOTTSWSA-N -1 1 379.225 2.675 20 5 GFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000599317351 565670074 /nfs/dbraw/zinc/67/00/74/565670074.db2.gz VLIZNZHPFOYMAW-UHFFFAOYSA-N -1 1 379.316 2.697 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000610261698 566072496 /nfs/dbraw/zinc/07/24/96/566072496.db2.gz UMTWKRZHHFRQRI-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000611019633 566110962 /nfs/dbraw/zinc/11/09/62/566110962.db2.gz TZPDKIMYIVWNDW-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@H](C)C(=O)[O-] ZINC000827443074 601381452 /nfs/dbraw/zinc/38/14/52/601381452.db2.gz YBMBWQQLCHRVBA-WDEREUQCSA-N -1 1 392.437 2.698 20 5 GFBDMM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCN(Cc2ccccc2)C1 ZINC000833128187 601729873 /nfs/dbraw/zinc/72/98/73/601729873.db2.gz AKWMPYARERBLKS-SFHVURJKSA-N -1 1 389.433 2.506 20 5 GFBDMM O=C([O-])N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000740523364 602646806 /nfs/dbraw/zinc/64/68/06/602646806.db2.gz HRWYRHHQPRPGON-UHFFFAOYSA-N -1 1 377.378 2.826 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)ccc1[N+](=O)[O-] ZINC000740095309 603420691 /nfs/dbraw/zinc/42/06/91/603420691.db2.gz ZOHXKPXFOPPBGJ-UHFFFAOYSA-N -1 1 391.405 2.740 20 5 GFBDMM CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485209881 604790631 /nfs/dbraw/zinc/79/06/31/604790631.db2.gz BXUFNTPEINXJAG-UHFFFAOYSA-N -1 1 378.362 2.687 20 5 GFBDMM CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1F ZINC000833663145 605327835 /nfs/dbraw/zinc/32/78/35/605327835.db2.gz QHJSEJFWSGPLQY-UHFFFAOYSA-N -1 1 384.341 2.632 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000834180692 605451476 /nfs/dbraw/zinc/45/14/76/605451476.db2.gz KURZYTQMQAVGDI-NWANDNLSSA-N -1 1 387.396 2.513 20 5 GFBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823294921 606294779 /nfs/dbraw/zinc/29/47/79/606294779.db2.gz XTGOBZLBBPSBLX-UHFFFAOYSA-N -1 1 382.361 2.948 20 5 GFBDMM O=C(c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000823493318 606645217 /nfs/dbraw/zinc/64/52/17/606645217.db2.gz KUVFAKCRHKUYHW-UHFFFAOYSA-N -1 1 378.392 2.874 20 5 GFBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820461932 606711619 /nfs/dbraw/zinc/71/16/19/606711619.db2.gz SVNHHGHVTOQQGJ-SNVBAGLBSA-N -1 1 378.352 2.998 20 5 GFBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820461932 606711620 /nfs/dbraw/zinc/71/16/20/606711620.db2.gz SVNHHGHVTOQQGJ-SNVBAGLBSA-N -1 1 378.352 2.998 20 5 GFBDMM O=[N+]([O-])c1ccc(CCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000823635003 606712831 /nfs/dbraw/zinc/71/28/31/606712831.db2.gz PIXYCYWKBYDRPR-UHFFFAOYSA-N -1 1 384.356 2.513 20 5 GFBDMM O=[N+]([O-])c1ccc(CCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000823635003 606712832 /nfs/dbraw/zinc/71/28/32/606712832.db2.gz PIXYCYWKBYDRPR-UHFFFAOYSA-N -1 1 384.356 2.513 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000823621135 606714146 /nfs/dbraw/zinc/71/41/46/606714146.db2.gz WLJHBBGPLCAYJW-LBPRGKRZSA-N -1 1 383.437 2.789 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000823621135 606714148 /nfs/dbraw/zinc/71/41/48/606714148.db2.gz WLJHBBGPLCAYJW-LBPRGKRZSA-N -1 1 383.437 2.789 20 5 GFBDMM Cn1c(-c2ccccc2)cnc1Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822590703 607163526 /nfs/dbraw/zinc/16/35/26/607163526.db2.gz NBPCCKBZLZPMFC-UHFFFAOYSA-N -1 1 380.393 2.722 20 5 GFBDMM Cn1c(-c2ccccc2)cnc1Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822590703 607163527 /nfs/dbraw/zinc/16/35/27/607163527.db2.gz NBPCCKBZLZPMFC-UHFFFAOYSA-N -1 1 380.393 2.722 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H]2CCO[C@@H]21 ZINC000830665099 660670709 /nfs/dbraw/zinc/67/07/09/660670709.db2.gz YHDQNSBLVUSFBE-YLJLNXRRSA-N -1 1 395.264 2.993 20 5 GFBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000832690291 660795695 /nfs/dbraw/zinc/79/56/95/660795695.db2.gz FJSQWPRVRHTKND-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071213477 654999771 /nfs/dbraw/zinc/99/97/71/654999771.db2.gz BGEYVVBHNVJZIL-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000158586097 655107599 /nfs/dbraw/zinc/10/75/99/655107599.db2.gz ISZXEHDWMXMHHS-UHFFFAOYSA-N -1 1 390.204 2.801 20 5 GFBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000273644389 655152213 /nfs/dbraw/zinc/15/22/13/655152213.db2.gz VIMPJCXGKHRWQO-ZETCQYMHSA-N -1 1 376.847 2.756 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000115313033 655234435 /nfs/dbraw/zinc/23/44/35/655234435.db2.gz QPTYPFZRYUEEMD-XMMPIXPASA-N -1 1 382.463 2.837 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000176421216 655244822 /nfs/dbraw/zinc/24/48/22/655244822.db2.gz FJCSEYCSZVSMOQ-UHFFFAOYSA-N -1 1 384.845 2.814 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000119320448 655298617 /nfs/dbraw/zinc/29/86/17/655298617.db2.gz CRSSJFKUFWQXMK-BJOHPYRUSA-N -1 1 388.804 2.788 20 5 GFBDMM Cc1cncc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000120959158 655346836 /nfs/dbraw/zinc/34/68/36/655346836.db2.gz KRXXQDWZWYNYQH-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000725830047 655527576 /nfs/dbraw/zinc/52/75/76/655527576.db2.gz SDFLQDDJMNWULX-UHFFFAOYSA-N -1 1 390.845 2.648 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000730265721 655573034 /nfs/dbraw/zinc/57/30/34/655573034.db2.gz CJMADODXSCBMMI-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000760605689 655987695 /nfs/dbraw/zinc/98/76/95/655987695.db2.gz MYWUIFADCFEVCH-UHFFFAOYSA-N -1 1 385.829 2.563 20 5 GFBDMM CC(C)n1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)cn1 ZINC000775202484 656614943 /nfs/dbraw/zinc/61/49/43/656614943.db2.gz UBDSCTAONXCUKJ-UHFFFAOYSA-N -1 1 389.231 2.936 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000775728952 656676187 /nfs/dbraw/zinc/67/61/87/656676187.db2.gz MWIVHNADEIATEQ-NSHDSACASA-N -1 1 390.845 2.602 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1Cl ZINC000780416175 657004837 /nfs/dbraw/zinc/00/48/37/657004837.db2.gz LNMWEWYFIWMIGG-UHFFFAOYSA-N -1 1 384.797 2.827 20 5 GFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC ZINC000788710626 657776748 /nfs/dbraw/zinc/77/67/48/657776748.db2.gz PWIBUIVJOWWPMI-SNVBAGLBSA-N -1 1 378.834 2.506 20 5 GFBDMM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000792783831 658322464 /nfs/dbraw/zinc/32/24/64/658322464.db2.gz OSDSFLAQMCTIJE-RKDXNWHRSA-N -1 1 387.849 2.919 20 5 GFBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000792783831 658322477 /nfs/dbraw/zinc/32/24/77/658322477.db2.gz OSDSFLAQMCTIJE-RKDXNWHRSA-N -1 1 387.849 2.919 20 5 GFBDMM CCCCOCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795807156 658853943 /nfs/dbraw/zinc/85/39/43/658853943.db2.gz PNZJDKUVMUKTGX-UHFFFAOYSA-N -1 1 399.238 2.591 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000798221753 659082354 /nfs/dbraw/zinc/08/23/54/659082354.db2.gz ASXVTWLJTGCZCA-UHFFFAOYSA-N -1 1 382.398 2.664 20 5 GFBDMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809392959 659926463 /nfs/dbraw/zinc/92/64/63/659926463.db2.gz MRTIVEFJSFBYFM-MRVPVSSYSA-N -1 1 393.252 2.983 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000809819528 659942276 /nfs/dbraw/zinc/94/22/76/659942276.db2.gz WFQFRKHREAOXOO-HNNXBMFYSA-N -1 1 388.804 2.573 20 5 GFBDMM C[C@](CO)([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000809818969 659942395 /nfs/dbraw/zinc/94/23/95/659942395.db2.gz LMQOITYTKQJWLD-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809832713 659946910 /nfs/dbraw/zinc/94/69/10/659946910.db2.gz MNYGMIHGVACNAC-SNVBAGLBSA-N -1 1 394.852 2.854 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)cc1Cl ZINC000809841790 659948002 /nfs/dbraw/zinc/94/80/02/659948002.db2.gz XFZHNKHJYSQZTB-CQSZACIVSA-N -1 1 396.824 2.599 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)cc1Cl ZINC000809842500 659948032 /nfs/dbraw/zinc/94/80/32/659948032.db2.gz FPLWNGAPHJCAIV-NSHDSACASA-N -1 1 394.852 2.854 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)cc1Cl ZINC000809846896 659948752 /nfs/dbraw/zinc/94/87/52/659948752.db2.gz LTBUBCHEXKUNLF-VIFPVBQESA-N -1 1 386.788 2.842 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)cc1Cl ZINC000809847056 659948900 /nfs/dbraw/zinc/94/89/00/659948900.db2.gz OJWWJDRTIOZNGG-UHFFFAOYSA-N -1 1 389.792 2.733 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000809847002 659949052 /nfs/dbraw/zinc/94/90/52/659949052.db2.gz NMLOKKJYOJOVGQ-PSLIRLAXSA-N -1 1 388.804 2.788 20 5 GFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000809850715 659949287 /nfs/dbraw/zinc/94/92/87/659949287.db2.gz DILWXGKRSKORFD-LBPRGKRZSA-N -1 1 376.481 2.756 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000815019093 660102283 /nfs/dbraw/zinc/10/22/83/660102283.db2.gz CHYKOMXLZMCTSQ-CYBMUJFWSA-N -1 1 388.804 2.789 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000815027196 660103750 /nfs/dbraw/zinc/10/37/50/660103750.db2.gz APFPBXGKOKPJCR-UHFFFAOYSA-N -1 1 386.788 2.896 20 5 GFBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815032826 660104658 /nfs/dbraw/zinc/10/46/58/660104658.db2.gz NDJQPUKSTKFVGW-VHSXEESVSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000815034111 660104796 /nfs/dbraw/zinc/10/47/96/660104796.db2.gz DIKNLKKCOFWOGG-ZANVPECISA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000815043062 660106477 /nfs/dbraw/zinc/10/64/77/660106477.db2.gz RCDQTTYVNWABNF-AWEZNQCLSA-N -1 1 396.824 2.599 20 5 GFBDMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000817146760 660183469 /nfs/dbraw/zinc/18/34/69/660183469.db2.gz UPRHJARGMOREPS-MNOVXSKESA-N -1 1 393.259 2.593 20 5 GFBDMM COCC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000849415330 661719768 /nfs/dbraw/zinc/71/97/68/661719768.db2.gz LZJBQMHUQGVNBJ-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000872655581 662783409 /nfs/dbraw/zinc/78/34/09/662783409.db2.gz GCBLRVVMEWNPLF-FEUBCLPYSA-N -1 1 378.809 2.623 20 5 GFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1Br ZINC000414469615 563742671 /nfs/dbraw/zinc/74/26/71/563742671.db2.gz JOXRUOHXKXSCAH-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCSCC1 ZINC000052360952 551163589 /nfs/dbraw/zinc/16/35/89/551163589.db2.gz CHEXKHQIJFOKAV-UHFFFAOYSA-N -1 1 379.463 2.949 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127795485 551344946 /nfs/dbraw/zinc/34/49/46/551344946.db2.gz VZVNLBZVVPGSKA-SMDDNHRTSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000128198544 551347532 /nfs/dbraw/zinc/34/75/32/551347532.db2.gz GLIBZRBNLDGKHI-GXTWGEPZSA-N -1 1 381.479 2.598 20 5 GFBDMM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000162919042 551614079 /nfs/dbraw/zinc/61/40/79/551614079.db2.gz DNNZNXKFHYRMMN-IUCAKERBSA-N -1 1 393.259 2.592 20 5 GFBDMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175133832 552116093 /nfs/dbraw/zinc/11/60/93/552116093.db2.gz SUQUPYUMNVVBSW-FZMZJTMJSA-N -1 1 376.862 2.978 20 5 GFBDMM O=C(c1ccc(Br)c([O-])c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188559351 552448060 /nfs/dbraw/zinc/44/80/60/552448060.db2.gz YGDOZTVXVHEZCD-UHFFFAOYSA-N -1 1 393.193 2.966 20 5 GFBDMM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246494835 553108552 /nfs/dbraw/zinc/10/85/52/553108552.db2.gz BIPJUTGMAKHDDR-JQLIAFOBSA-N -1 1 394.902 2.606 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1Br ZINC000414469615 563742668 /nfs/dbraw/zinc/74/26/68/563742668.db2.gz JOXRUOHXKXSCAH-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)no1 ZINC000443158552 563794014 /nfs/dbraw/zinc/79/40/14/563794014.db2.gz PEYSYZGFPSRNIE-UHFFFAOYSA-N -1 1 388.833 2.716 20 5 GFBDMM CSCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000471109653 564185900 /nfs/dbraw/zinc/18/59/00/564185900.db2.gz ZAOOPIVKJKKKDH-UHFFFAOYSA-N -1 1 382.419 2.957 20 5 GFBDMM COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(Cl)c1 ZINC000564201289 564224903 /nfs/dbraw/zinc/22/49/03/564224903.db2.gz UXUIGBHZFADUBZ-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)s1 ZINC000566927970 564349690 /nfs/dbraw/zinc/34/96/90/564349690.db2.gz XOMPOTJBHZXGIU-UHFFFAOYSA-N -1 1 381.357 2.591 20 5 GFBDMM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000478763346 564414348 /nfs/dbraw/zinc/41/43/48/564414348.db2.gz QAHGJFGEJUTENO-OAHLLOKOSA-N -1 1 392.861 2.894 20 5 GFBDMM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000568538697 564422960 /nfs/dbraw/zinc/42/29/60/564422960.db2.gz GBNKTNDFXHGQIS-UHFFFAOYSA-N -1 1 376.843 2.839 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c2ncccc12 ZINC000580620751 564766616 /nfs/dbraw/zinc/76/66/16/564766616.db2.gz LDHQSHQVWIAAEB-CYBMUJFWSA-N -1 1 375.328 2.762 20 5 GFBDMM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462704122 564855185 /nfs/dbraw/zinc/85/51/85/564855185.db2.gz SPUAYBJDBJUHEB-PWSUYJOCSA-N -1 1 393.259 2.593 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270277 564959745 /nfs/dbraw/zinc/95/97/45/564959745.db2.gz ZUYVVCMAJFTBNC-AWEZNQCLSA-N -1 1 384.845 2.894 20 5 GFBDMM COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594785135 565420212 /nfs/dbraw/zinc/42/02/12/565420212.db2.gz HKUKDEBPCVUDNE-UHFFFAOYSA-N -1 1 385.829 2.865 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c(C)c1[N+](=O)[O-] ZINC000598712747 565636923 /nfs/dbraw/zinc/63/69/23/565636923.db2.gz JCKVDOBEFJGXNW-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000599317730 565669697 /nfs/dbraw/zinc/66/96/97/565669697.db2.gz WMPALJSKNYVWEU-UHFFFAOYSA-N -1 1 379.316 2.697 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000609030511 566028911 /nfs/dbraw/zinc/02/89/11/566028911.db2.gz VAVIWTKEGWNTAT-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000611469396 566131526 /nfs/dbraw/zinc/13/15/26/566131526.db2.gz WDVWOIRLKNEJTF-CABZTGNLSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822212822 607256152 /nfs/dbraw/zinc/25/61/52/607256152.db2.gz ILEMUGYPNDXASI-UHFFFAOYSA-N -1 1 388.409 2.501 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000740092779 602869301 /nfs/dbraw/zinc/86/93/01/602869301.db2.gz FJNWXZMPMRBISH-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000824453608 605374227 /nfs/dbraw/zinc/37/42/27/605374227.db2.gz PXOYUZXSLMACPD-VXGBXAGGSA-N -1 1 379.417 2.578 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(OCC(F)(F)F)c1 ZINC000823624579 606698968 /nfs/dbraw/zinc/69/89/68/606698968.db2.gz DFXQTOOJWNDHAZ-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(OCC(F)(F)F)c1 ZINC000823624579 606698969 /nfs/dbraw/zinc/69/89/69/606698969.db2.gz DFXQTOOJWNDHAZ-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000823620619 606702045 /nfs/dbraw/zinc/70/20/45/606702045.db2.gz NHDPYGPBDLEMFX-BBRMVZONSA-N -1 1 381.396 2.750 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000823620619 606702046 /nfs/dbraw/zinc/70/20/46/606702046.db2.gz NHDPYGPBDLEMFX-BBRMVZONSA-N -1 1 381.396 2.750 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1Br ZINC000823625384 606704321 /nfs/dbraw/zinc/70/43/21/606704321.db2.gz TZHXKNWARBJIHD-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1Br ZINC000823625384 606704322 /nfs/dbraw/zinc/70/43/22/606704322.db2.gz TZHXKNWARBJIHD-UHFFFAOYSA-N -1 1 376.174 2.545 20 5 GFBDMM COc1ccccc1CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821891048 606706667 /nfs/dbraw/zinc/70/66/67/606706667.db2.gz UFBFMUCQPFGUHQ-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1ccccc1CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821891048 606706668 /nfs/dbraw/zinc/70/66/68/606706668.db2.gz UFBFMUCQPFGUHQ-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM Cc1ccc(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822263688 606711251 /nfs/dbraw/zinc/71/12/51/606711251.db2.gz WSYAHKKNCRRRMM-UHFFFAOYSA-N -1 1 381.396 2.526 20 5 GFBDMM Cc1ccc(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822263688 606711253 /nfs/dbraw/zinc/71/12/53/606711253.db2.gz WSYAHKKNCRRRMM-UHFFFAOYSA-N -1 1 381.396 2.526 20 5 GFBDMM COCCCOc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821688413 606720089 /nfs/dbraw/zinc/72/00/89/606720089.db2.gz KGCIIXVZPGYVLO-UHFFFAOYSA-N -1 1 399.411 2.506 20 5 GFBDMM COCCCOc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821688413 606720092 /nfs/dbraw/zinc/72/00/92/606720092.db2.gz KGCIIXVZPGYVLO-UHFFFAOYSA-N -1 1 399.411 2.506 20 5 GFBDMM CN(Cc1ccc(Br)s1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609768 607162380 /nfs/dbraw/zinc/16/23/80/607162380.db2.gz LCRWFGWNLGMLSJ-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM CN(Cc1ccc(Br)s1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821609768 607162382 /nfs/dbraw/zinc/16/23/82/607162382.db2.gz LCRWFGWNLGMLSJ-UHFFFAOYSA-N -1 1 396.230 2.630 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(C(F)(F)F)cc1 ZINC000823625118 607163240 /nfs/dbraw/zinc/16/32/40/607163240.db2.gz PMHFAWHRYKUMFL-UHFFFAOYSA-N -1 1 379.302 2.843 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(C(F)(F)F)cc1 ZINC000823625118 607163242 /nfs/dbraw/zinc/16/32/42/607163242.db2.gz PMHFAWHRYKUMFL-UHFFFAOYSA-N -1 1 379.302 2.843 20 5 GFBDMM O=C(Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1)C1CCC1 ZINC000823363785 607167945 /nfs/dbraw/zinc/16/79/45/607167945.db2.gz MZQBTHHBPOIZLX-UHFFFAOYSA-N -1 1 394.395 2.521 20 5 GFBDMM O=C(Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1)C1CCC1 ZINC000823363785 607167947 /nfs/dbraw/zinc/16/79/47/607167947.db2.gz MZQBTHHBPOIZLX-UHFFFAOYSA-N -1 1 394.395 2.521 20 5 GFBDMM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826464095 608143765 /nfs/dbraw/zinc/14/37/65/608143765.db2.gz IMYOSKLDEBWHTB-UHFFFAOYSA-N -1 1 377.407 2.786 20 5 GFBDMM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826464095 608143766 /nfs/dbraw/zinc/14/37/66/608143766.db2.gz IMYOSKLDEBWHTB-UHFFFAOYSA-N -1 1 377.407 2.786 20 5 GFBDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000824147453 608156920 /nfs/dbraw/zinc/15/69/20/608156920.db2.gz CWSIPUKVINWNEW-UHFFFAOYSA-N -1 1 390.791 2.632 20 5 GFBDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000824147453 608156921 /nfs/dbraw/zinc/15/69/21/608156921.db2.gz CWSIPUKVINWNEW-UHFFFAOYSA-N -1 1 390.791 2.632 20 5 GFBDMM CSc1ccc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826230063 608161594 /nfs/dbraw/zinc/16/15/94/608161594.db2.gz CAIWDAOYJWVMOJ-UHFFFAOYSA-N -1 1 380.773 2.996 20 5 GFBDMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943108 609503367 /nfs/dbraw/zinc/50/33/67/609503367.db2.gz NGDTUUKIFLCSQR-PKNBQFBNSA-N -1 1 396.411 2.768 20 5 GFBDMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943108 609503368 /nfs/dbraw/zinc/50/33/68/609503368.db2.gz NGDTUUKIFLCSQR-PKNBQFBNSA-N -1 1 396.411 2.768 20 5 GFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CS1 ZINC000841558740 661300883 /nfs/dbraw/zinc/30/08/83/661300883.db2.gz JXUDZYCDDLSQRO-RQJHMYQMSA-N -1 1 399.263 2.669 20 5 GFBDMM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000830316981 660648341 /nfs/dbraw/zinc/64/83/41/660648341.db2.gz CTUCYCPEDRPPGM-LBPRGKRZSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c1Cl ZINC000830667780 660670988 /nfs/dbraw/zinc/67/09/88/660670988.db2.gz IEHPKGYMSSIGQO-DTWKUNHWSA-N -1 1 383.253 2.731 20 5 GFBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830918773 660686294 /nfs/dbraw/zinc/68/62/94/660686294.db2.gz LCCLFOUTGOTBTJ-MRVPVSSYSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCOC(F)F)c1Cl ZINC000831412302 660709902 /nfs/dbraw/zinc/70/99/02/660709902.db2.gz JCFRTDKJMJIFAC-UHFFFAOYSA-N -1 1 379.168 2.809 20 5 GFBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC ZINC000832124506 660756320 /nfs/dbraw/zinc/75/63/20/660756320.db2.gz MQKRCOFBUYENFB-LBPRGKRZSA-N -1 1 399.238 2.590 20 5 GFBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832410172 660778233 /nfs/dbraw/zinc/77/82/33/660778233.db2.gz HQUYSCQEIJNQNN-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832410343 660778258 /nfs/dbraw/zinc/77/82/58/660778258.db2.gz IWNVJWUBWMARJC-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000832523504 660784141 /nfs/dbraw/zinc/78/41/41/660784141.db2.gz HHQYQGPLSODNKZ-FUXBKTLASA-N -1 1 383.253 2.993 20 5 GFBDMM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000832523506 660784164 /nfs/dbraw/zinc/78/41/64/660784164.db2.gz HHQYQGPLSODNKZ-WPPNPWJKSA-N -1 1 383.253 2.993 20 5 GFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000026235581 654556382 /nfs/dbraw/zinc/55/63/82/654556382.db2.gz BFEOKKOPWZYVPH-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM CSCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000128847790 654852775 /nfs/dbraw/zinc/85/27/75/654852775.db2.gz JLBJRTUSFDUABE-UHFFFAOYSA-N -1 1 383.289 2.779 20 5 GFBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000269824186 655023647 /nfs/dbraw/zinc/02/36/47/655023647.db2.gz XAAIWXHDQWYEME-UHFFFAOYSA-N -1 1 382.423 2.526 20 5 GFBDMM Cc1nn(C)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000110768535 655159699 /nfs/dbraw/zinc/15/96/99/655159699.db2.gz VHLKJRDRDQDLOH-UHFFFAOYSA-N -1 1 376.423 2.892 20 5 GFBDMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175651360 655225285 /nfs/dbraw/zinc/22/52/85/655225285.db2.gz BIPJUTGMAKHDDR-YCINEILWSA-N -1 1 394.902 2.606 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1F ZINC000121043120 655347491 /nfs/dbraw/zinc/34/74/91/655347491.db2.gz DFRBZCVNDFRCJU-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM Cn1cc(CCC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295621319 655366549 /nfs/dbraw/zinc/36/65/49/655366549.db2.gz FCSQMARQCLLPRD-UHFFFAOYSA-N -1 1 393.252 2.546 20 5 GFBDMM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725825100 655527181 /nfs/dbraw/zinc/52/71/81/655527181.db2.gz RRBTZBQBKZQUDD-UHFFFAOYSA-N -1 1 385.829 2.909 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000769671758 656285215 /nfs/dbraw/zinc/28/52/15/656285215.db2.gz MPKCLVMMGWMKLF-UHFFFAOYSA-N -1 1 378.781 2.822 20 5 GFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1Br ZINC000775209777 656616360 /nfs/dbraw/zinc/61/63/60/656616360.db2.gz YTEJILHKGKICDW-UHFFFAOYSA-N -1 1 376.163 2.692 20 5 GFBDMM COC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000785310266 657354112 /nfs/dbraw/zinc/35/41/12/657354112.db2.gz TUVXZLFVIPHWNK-GFCCVEGCSA-N -1 1 376.843 2.976 20 5 GFBDMM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796101649 658891756 /nfs/dbraw/zinc/89/17/56/658891756.db2.gz DIDIMGDXVTXQIF-BDJLRTHQSA-N -1 1 384.841 2.957 20 5 GFBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000796105879 658892523 /nfs/dbraw/zinc/89/25/23/658892523.db2.gz DSKFZSHDALDUSY-HZGVNTEJSA-N -1 1 399.263 2.526 20 5 GFBDMM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000800967671 659359792 /nfs/dbraw/zinc/35/97/92/659359792.db2.gz ZXSRNXFSGJLWKD-OAHLLOKOSA-N -1 1 384.841 2.877 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2F)cc1Cl ZINC000809805778 659939878 /nfs/dbraw/zinc/93/98/78/659939878.db2.gz MNCMORKGNCIFHL-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H]2CCO[C@H]21 ZINC000809820931 659943011 /nfs/dbraw/zinc/94/30/11/659943011.db2.gz FMVNBRAXDCDAQA-KEMBBXRSSA-N -1 1 395.264 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CSCCS2)cc1Cl ZINC000809824492 659944281 /nfs/dbraw/zinc/94/42/81/659944281.db2.gz BPGNZGWACRFPNP-ZETCQYMHSA-N -1 1 386.879 2.514 20 5 GFBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829477 659945591 /nfs/dbraw/zinc/94/55/91/659945591.db2.gz HELBWYFKPHRJPS-QPUJVOFHSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000809837559 659947451 /nfs/dbraw/zinc/94/74/51/659947451.db2.gz YUPJCVXTKJJEHT-OAHLLOKOSA-N -1 1 394.852 2.997 20 5 GFBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000809839900 659947851 /nfs/dbraw/zinc/94/78/51/659947851.db2.gz LSGMAOCEXBFLLF-UHFFFAOYSA-N -1 1 394.808 2.542 20 5 GFBDMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831892 660016397 /nfs/dbraw/zinc/01/63/97/660016397.db2.gz IUSSXCFMWSITKC-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1cccc(F)c1 ZINC000815015510 660101637 /nfs/dbraw/zinc/10/16/37/660101637.db2.gz LMDSTWODWBVVSZ-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000815026054 660103614 /nfs/dbraw/zinc/10/36/14/660103614.db2.gz CASPKGWEJSPWIP-PCTYZZJISA-N -1 1 390.820 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c(Cl)cc1Cl ZINC000841574551 661305826 /nfs/dbraw/zinc/30/58/26/661305826.db2.gz UPXUWCLMXCAVBC-DTWKUNHWSA-N -1 1 383.253 2.731 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845978034 661516139 /nfs/dbraw/zinc/51/61/39/661516139.db2.gz INIASSSWMOJIDJ-ZBEGNZNMSA-N -1 1 384.841 2.823 20 5 GFBDMM CCSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000851820284 661834803 /nfs/dbraw/zinc/83/48/03/661834803.db2.gz VYKAEVDVKCJROW-UHFFFAOYSA-N -1 1 395.300 2.921 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2ccc(Br)cc2)C1 ZINC000900716184 663720143 /nfs/dbraw/zinc/72/01/43/663720143.db2.gz GQLDNBJPCATOCK-UHFFFAOYSA-N -1 1 392.209 2.773 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000116367646 551213312 /nfs/dbraw/zinc/21/33/12/551213312.db2.gz VQNCFBLMGYMURI-LBPRGKRZSA-N -1 1 385.442 2.743 20 5 GFBDMM CCCc1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000126417562 551329882 /nfs/dbraw/zinc/32/98/82/551329882.db2.gz DGRFKWZSZYXGRK-UHFFFAOYSA-N -1 1 389.231 2.834 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127795712 551344967 /nfs/dbraw/zinc/34/49/67/551344967.db2.gz VZVNLBZVVPGSKA-BXUZGUMPSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000128198301 551347482 /nfs/dbraw/zinc/34/74/82/551347482.db2.gz GLIBZRBNLDGKHI-TZMCWYRMSA-N -1 1 381.479 2.598 20 5 GFBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182922955 552296332 /nfs/dbraw/zinc/29/63/32/552296332.db2.gz GUPFOLPMODGSEC-UHFFFAOYSA-N -1 1 383.202 2.905 20 5 GFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182949899 552296881 /nfs/dbraw/zinc/29/68/81/552296881.db2.gz XKLUBBDIXJCYMS-UHFFFAOYSA-N -1 1 375.328 2.993 20 5 GFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245565082 553092892 /nfs/dbraw/zinc/09/28/92/553092892.db2.gz DNNZNXKFHYRMMN-DOFRTFSJSA-N -1 1 393.259 2.592 20 5 GFBDMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000428046398 563481859 /nfs/dbraw/zinc/48/18/59/563481859.db2.gz ANSADVBKFXBIKJ-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000432672746 563591097 /nfs/dbraw/zinc/59/10/97/563591097.db2.gz ZKPCQNMMGSITLB-ZETCQYMHSA-N -1 1 384.801 2.877 20 5 GFBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000432672746 563591100 /nfs/dbraw/zinc/59/11/00/563591100.db2.gz ZKPCQNMMGSITLB-ZETCQYMHSA-N -1 1 384.801 2.877 20 5 GFBDMM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000433470508 563613906 /nfs/dbraw/zinc/61/39/06/563613906.db2.gz ZKGVXCYWCUPEBE-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cccc(Br)c1 ZINC000440324417 563738918 /nfs/dbraw/zinc/73/89/18/563738918.db2.gz GCDYWJAOTQKDKO-SECBINFHSA-N -1 1 396.197 2.655 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000476934672 564359607 /nfs/dbraw/zinc/35/96/07/564359607.db2.gz RUDFWNQMGDYQGF-SNVBAGLBSA-N -1 1 384.435 2.857 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452089308 564391064 /nfs/dbraw/zinc/39/10/64/564391064.db2.gz PQSNGIVFECEVQH-ZDUSSCGKSA-N -1 1 388.492 2.900 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1 ZINC000545829869 564433469 /nfs/dbraw/zinc/43/34/69/564433469.db2.gz ONCOKTXVCPCBFE-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379053 564477686 /nfs/dbraw/zinc/47/76/86/564477686.db2.gz FVRPAYXDBWKJFE-MWLCHTKSSA-N -1 1 378.834 2.504 20 5 GFBDMM CN(Cc1ccc(F)cc1Br)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000482796045 564549829 /nfs/dbraw/zinc/54/98/29/564549829.db2.gz OFVPOPDHZQYBMS-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(Cl)c1 ZINC000521311736 564623860 /nfs/dbraw/zinc/62/38/60/564623860.db2.gz JBEYRPLUTJEMCH-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1Br ZINC000535694287 565018941 /nfs/dbraw/zinc/01/89/41/565018941.db2.gz XQPFAFLVNFXCCK-UHFFFAOYSA-N -1 1 378.186 2.798 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594476407 565393196 /nfs/dbraw/zinc/39/31/96/565393196.db2.gz AKLBHJYDFUOWIQ-SECBINFHSA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000611019634 566111191 /nfs/dbraw/zinc/11/11/91/566111191.db2.gz TZPDKIMYIVWNDW-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM O=C([O-])CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000547874020 599979083 /nfs/dbraw/zinc/97/90/83/599979083.db2.gz KGWZKOONQRKLEJ-CYBMUJFWSA-N -1 1 382.369 2.618 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738477105 600301543 /nfs/dbraw/zinc/30/15/43/600301543.db2.gz OLXFIEAUWRZYDR-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc12 ZINC000823657530 606046486 /nfs/dbraw/zinc/04/64/86/606046486.db2.gz QWAYJLDUMOHCGJ-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM COc1cccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)c1 ZINC000821873172 606645451 /nfs/dbraw/zinc/64/54/51/606645451.db2.gz SGDWAZACROJNLL-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823436301 606653806 /nfs/dbraw/zinc/65/38/06/606653806.db2.gz PAMASLXDJGZKGT-UHFFFAOYSA-N -1 1 382.361 2.742 20 5 GFBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823436301 606653807 /nfs/dbraw/zinc/65/38/07/606653807.db2.gz PAMASLXDJGZKGT-UHFFFAOYSA-N -1 1 382.361 2.742 20 5 GFBDMM CCc1csc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000821499650 606704995 /nfs/dbraw/zinc/70/49/95/606704995.db2.gz OBMUVRIMZFEZKR-JTQLQIEISA-N -1 1 386.441 2.573 20 5 GFBDMM CCc1csc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000821499650 606704996 /nfs/dbraw/zinc/70/49/96/606704996.db2.gz OBMUVRIMZFEZKR-JTQLQIEISA-N -1 1 386.441 2.573 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677949 606713536 /nfs/dbraw/zinc/71/35/36/606713536.db2.gz HJIYTSHEFJNFHT-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677949 606713538 /nfs/dbraw/zinc/71/35/38/606713538.db2.gz HJIYTSHEFJNFHT-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823619863 606717270 /nfs/dbraw/zinc/71/72/70/606717270.db2.gz CFGLERDSPQRKKD-LLVKDONJSA-N -1 1 386.803 2.514 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823619863 606717272 /nfs/dbraw/zinc/71/72/72/606717272.db2.gz CFGLERDSPQRKKD-LLVKDONJSA-N -1 1 386.803 2.514 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCSc1ccc(F)cc1 ZINC000823624540 607163584 /nfs/dbraw/zinc/16/35/84/607163584.db2.gz CDECVKHHLQMPMZ-UHFFFAOYSA-N -1 1 375.389 2.903 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCSc1ccc(F)cc1 ZINC000823624540 607163585 /nfs/dbraw/zinc/16/35/85/607163585.db2.gz CDECVKHHLQMPMZ-UHFFFAOYSA-N -1 1 375.389 2.903 20 5 GFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CS1 ZINC000841558733 661300529 /nfs/dbraw/zinc/30/05/29/661300529.db2.gz JXUDZYCDDLSQRO-NKWVEPMBSA-N -1 1 399.263 2.669 20 5 GFBDMM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830668098 660671079 /nfs/dbraw/zinc/67/10/79/660671079.db2.gz MCBURSHJEURROT-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830746271 660677620 /nfs/dbraw/zinc/67/76/20/660677620.db2.gz YDDMAIXLTLULTM-SECBINFHSA-N -1 1 385.269 2.979 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000832653972 660791740 /nfs/dbraw/zinc/79/17/40/660791740.db2.gz HUCFTNAWVWYJPV-ONGXEEELSA-N -1 1 375.244 2.682 20 5 GFBDMM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000162846253 655133795 /nfs/dbraw/zinc/13/37/95/655133795.db2.gz OULONYPDRBDZQK-RKDXNWHRSA-N -1 1 393.259 2.592 20 5 GFBDMM O=C(NCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000731053302 655581117 /nfs/dbraw/zinc/58/11/17/655581117.db2.gz KJPDWPOTJFIZBV-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1Cl ZINC000743264956 655727461 /nfs/dbraw/zinc/72/74/61/655727461.db2.gz AVBXAYHPDWXRMS-UHFFFAOYSA-N -1 1 388.751 2.638 20 5 GFBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000759161438 655949639 /nfs/dbraw/zinc/94/96/39/655949639.db2.gz YHGGFWFBULFQEC-UHFFFAOYSA-N -1 1 388.199 2.567 20 5 GFBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000766565868 656176473 /nfs/dbraw/zinc/17/64/73/656176473.db2.gz QDWTZZDLACVDSI-LURJTMIESA-N -1 1 391.165 2.977 20 5 GFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000770703726 656327565 /nfs/dbraw/zinc/32/75/65/656327565.db2.gz DIBXZXQLNYYZLF-CPFSXVBKSA-N -1 1 386.191 2.854 20 5 GFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780406816 657004449 /nfs/dbraw/zinc/00/44/49/657004449.db2.gz WMUAFPREPWFMQL-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c(Cl)cc1Cl ZINC000791423119 658096176 /nfs/dbraw/zinc/09/61/76/658096176.db2.gz RHGRNPOFOZWRHD-DTORHVGOSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(Cl)cc1Cl ZINC000791433422 658098453 /nfs/dbraw/zinc/09/84/53/658098453.db2.gz VYLGTJFRDREWON-UHFFFAOYSA-N -1 1 388.192 2.974 20 5 GFBDMM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796104713 658892395 /nfs/dbraw/zinc/89/23/95/658892395.db2.gz QHSHSRHVVBSTIF-NHYWBVRUSA-N -1 1 384.841 2.957 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000798224575 659084032 /nfs/dbraw/zinc/08/40/32/659084032.db2.gz KHEUSAXGFZERQD-LBPRGKRZSA-N -1 1 391.808 2.562 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000808573422 659899120 /nfs/dbraw/zinc/89/91/20/659899120.db2.gz ULIYVEAMXKAKJM-UHFFFAOYSA-N -1 1 393.593 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c(Cl)cc1Cl ZINC000809818955 659942363 /nfs/dbraw/zinc/94/23/63/659942363.db2.gz SJAKDCLNXGBDPY-ZDUSSCGKSA-N -1 1 391.232 2.914 20 5 GFBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000809820926 659943114 /nfs/dbraw/zinc/94/31/14/659943114.db2.gz FJMIWTDJFQWQSF-NSHDSACASA-N -1 1 395.220 2.815 20 5 GFBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826361 659944634 /nfs/dbraw/zinc/94/46/34/659944634.db2.gz YXKSHRKJRZKNKU-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000815033592 660104938 /nfs/dbraw/zinc/10/49/38/660104938.db2.gz MSQPPUZYXZEFHE-CABCVRRESA-N -1 1 392.836 2.871 20 5 GFBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H](C)O1 ZINC000841561869 661301825 /nfs/dbraw/zinc/30/18/25/661301825.db2.gz ZPDMLZVBDCOTLR-VGMNWLOBSA-N -1 1 383.253 2.993 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000845976729 661515572 /nfs/dbraw/zinc/51/55/72/661515572.db2.gz CWJRRQWMSPLKPH-HNNXBMFYSA-N -1 1 392.836 2.871 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845978030 661516264 /nfs/dbraw/zinc/51/62/64/661516264.db2.gz INIASSSWMOJIDJ-MEDUHNTESA-N -1 1 384.841 2.823 20 5 GFBDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000846010549 661521651 /nfs/dbraw/zinc/52/16/51/661521651.db2.gz QPHBHMNBTLXTOM-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])O1 ZINC000849460416 661729804 /nfs/dbraw/zinc/72/98/04/661729804.db2.gz JVJYTOSUIABFER-ONGXEEELSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c1Cl ZINC000849469311 661731786 /nfs/dbraw/zinc/73/17/86/661731786.db2.gz UQQBDNNDSSPDQD-VIFPVBQESA-N -1 1 383.253 2.589 20 5 GFBDMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859291825 662150395 /nfs/dbraw/zinc/15/03/95/662150395.db2.gz MNJKEFAYILMODR-WPPNPWJKSA-N -1 1 381.237 2.747 20 5 GFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173375967 552084335 /nfs/dbraw/zinc/08/43/35/552084335.db2.gz ORDSMMVZZHGGBZ-HNNXBMFYSA-N -1 1 385.467 2.972 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000180741844 552234584 /nfs/dbraw/zinc/23/45/84/552234584.db2.gz GCDUVZFIBOVQFF-SMDDNHRTSA-N -1 1 390.389 2.743 20 5 GFBDMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000374435489 563372591 /nfs/dbraw/zinc/37/25/91/563372591.db2.gz JHTLYSREAZJKCQ-NSHDSACASA-N -1 1 384.845 2.609 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C)c1Br ZINC000414474537 563743440 /nfs/dbraw/zinc/74/34/40/563743440.db2.gz YBEFZKIOYGPQMB-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C)c1Br ZINC000414474537 563743443 /nfs/dbraw/zinc/74/34/43/563743443.db2.gz YBEFZKIOYGPQMB-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451653807 564336354 /nfs/dbraw/zinc/33/63/54/564336354.db2.gz NNTMONQOUPZTEN-MRVPVSSYSA-N -1 1 390.767 2.884 20 5 GFBDMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815919 564355386 /nfs/dbraw/zinc/35/53/86/564355386.db2.gz INFGVWROPLLPSS-RISCZKNCSA-N -1 1 376.862 2.978 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545551028 564427249 /nfs/dbraw/zinc/42/72/49/564427249.db2.gz PWTRTUXNMLZTIN-SECBINFHSA-N -1 1 380.407 2.746 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480856603 564491853 /nfs/dbraw/zinc/49/18/53/564491853.db2.gz MVOHAEISOFEHAY-SNVBAGLBSA-N -1 1 383.813 2.554 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482005061 564531377 /nfs/dbraw/zinc/53/13/77/564531377.db2.gz DGJODNOBHXXLHV-VXNVDRBHSA-N -1 1 384.211 2.805 20 5 GFBDMM C[C@@H](CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548214008 564537569 /nfs/dbraw/zinc/53/75/69/564537569.db2.gz NKJHMXVIBIAVGR-ZETCQYMHSA-N -1 1 385.225 2.681 20 5 GFBDMM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548540121 564556922 /nfs/dbraw/zinc/55/69/22/564556922.db2.gz AKPQRPFOZOVEGG-MFKMUULPSA-N -1 1 397.236 2.823 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Br ZINC000525175280 564693882 /nfs/dbraw/zinc/69/38/82/564693882.db2.gz VCZAITBCACGSHW-LBPRGKRZSA-N -1 1 398.238 2.718 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c([N+](=O)[O-])n1 ZINC000555455951 564794404 /nfs/dbraw/zinc/79/44/04/564794404.db2.gz WWRUJTVLYKPUNH-XYPYZODXSA-N -1 1 384.845 2.689 20 5 GFBDMM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533175520 564957372 /nfs/dbraw/zinc/95/73/72/564957372.db2.gz BUDCLCPNKDPCOG-GFCCVEGCSA-N -1 1 384.483 2.660 20 5 GFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000468526321 564985733 /nfs/dbraw/zinc/98/57/33/564985733.db2.gz CBVUHHUQJYDWIE-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000502019435 564990389 /nfs/dbraw/zinc/99/03/89/564990389.db2.gz ROYKRTSIUBQOEU-UHFFFAOYSA-N -1 1 390.204 2.801 20 5 GFBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c([O-])cc(Br)cc1Cl ZINC000561692937 565005810 /nfs/dbraw/zinc/00/58/10/565005810.db2.gz OMAYFLOIXOGTOU-UHFFFAOYSA-N -1 1 375.566 2.552 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000590165618 565179733 /nfs/dbraw/zinc/17/97/33/565179733.db2.gz ADLQMBCZXZGBDH-JTQLQIEISA-N -1 1 397.356 2.642 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612173304 566153858 /nfs/dbraw/zinc/15/38/58/566153858.db2.gz SWTZZUXGCMASAJ-SNVBAGLBSA-N -1 1 390.751 2.938 20 5 GFBDMM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000736651130 599026563 /nfs/dbraw/zinc/02/65/63/599026563.db2.gz MJWLHMQHASLHHH-UHFFFAOYSA-N -1 1 375.366 2.592 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 ZINC000738372765 599246744 /nfs/dbraw/zinc/24/67/44/599246744.db2.gz VAUZJASQMBJNTC-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000548597652 601225251 /nfs/dbraw/zinc/22/52/51/601225251.db2.gz OROPOWOVNHOLPO-IINYFYTJSA-N -1 1 398.824 2.989 20 5 GFBDMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000832777409 604600901 /nfs/dbraw/zinc/60/09/01/604600901.db2.gz LTZLBUDOYYVBRO-OAHLLOKOSA-N -1 1 376.390 2.968 20 5 GFBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833508429 605157414 /nfs/dbraw/zinc/15/74/14/605157414.db2.gz SYRHZEQREAZPND-CYBMUJFWSA-N -1 1 395.481 2.716 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(OC2CCCCC2)c1 ZINC000823625155 606706481 /nfs/dbraw/zinc/70/64/81/606706481.db2.gz RGPKDNYPFYGCRV-UHFFFAOYSA-N -1 1 396.411 2.889 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(OC2CCCCC2)c1 ZINC000823625155 606706482 /nfs/dbraw/zinc/70/64/82/606706482.db2.gz RGPKDNYPFYGCRV-UHFFFAOYSA-N -1 1 396.411 2.889 20 5 GFBDMM CCOc1cc2c(cc1CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000821400975 607163987 /nfs/dbraw/zinc/16/39/87/607163987.db2.gz RGBHMZVPUSOGPE-JTQLQIEISA-N -1 1 397.395 2.504 20 5 GFBDMM CCOc1cc2c(cc1CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000821400975 607163989 /nfs/dbraw/zinc/16/39/89/607163989.db2.gz RGBHMZVPUSOGPE-JTQLQIEISA-N -1 1 397.395 2.504 20 5 GFBDMM Cc1nn(-c2ccccc2)c(C)c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822487001 607164747 /nfs/dbraw/zinc/16/47/47/607164747.db2.gz XFKZPQPEMJSVKV-UHFFFAOYSA-N -1 1 391.395 2.585 20 5 GFBDMM Cc1nn(-c2ccccc2)c(C)c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822487001 607164748 /nfs/dbraw/zinc/16/47/48/607164748.db2.gz XFKZPQPEMJSVKV-UHFFFAOYSA-N -1 1 391.395 2.585 20 5 GFBDMM O=[N+]([O-])c1ccc(-c2noc(COc3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826497952 607863997 /nfs/dbraw/zinc/86/39/97/607863997.db2.gz AGRDTBVQSHRNLX-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM O=[N+]([O-])c1ccc(-c2noc(COc3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826497952 607863998 /nfs/dbraw/zinc/86/39/98/607863998.db2.gz AGRDTBVQSHRNLX-UHFFFAOYSA-N -1 1 383.299 2.543 20 5 GFBDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000826280219 608307396 /nfs/dbraw/zinc/30/73/96/608307396.db2.gz SBKUFRPLRQTXKN-UHFFFAOYSA-N -1 1 388.409 2.501 20 5 GFBDMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637120 660716515 /nfs/dbraw/zinc/71/65/15/660716515.db2.gz GDKCQOXOFMYAOH-AMIZOPFISA-N -1 1 383.253 2.731 20 5 GFBDMM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637125 660716898 /nfs/dbraw/zinc/71/68/98/660716898.db2.gz GDKCQOXOFMYAOH-SDBXPKJASA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c(Cl)cc1Cl ZINC000832317713 660772855 /nfs/dbraw/zinc/77/28/55/660772855.db2.gz PASJHVDGUQGEBI-GFCCVEGCSA-N -1 1 381.237 2.749 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)s1 ZINC000066000822 654892494 /nfs/dbraw/zinc/89/24/94/654892494.db2.gz BBOWNPROPQZXQK-UHFFFAOYSA-N -1 1 383.270 2.959 20 5 GFBDMM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725820387 655526811 /nfs/dbraw/zinc/52/68/11/655526811.db2.gz NOEBSCBLBREYCL-UHFFFAOYSA-N -1 1 386.813 2.744 20 5 GFBDMM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000747284903 655776283 /nfs/dbraw/zinc/77/62/83/655776283.db2.gz HTUGPNQKBXTPIO-AWEZNQCLSA-N -1 1 384.841 2.784 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1F ZINC000751431546 655827156 /nfs/dbraw/zinc/82/71/56/655827156.db2.gz XXTABDUWRHBQFJ-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751489052 655829794 /nfs/dbraw/zinc/82/97/94/655829794.db2.gz YVKIIJWBPMHCRQ-BJOHPYRUSA-N -1 1 388.804 2.788 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000798224402 659083959 /nfs/dbraw/zinc/08/39/59/659083959.db2.gz LIZHENMZBIBIEZ-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000798224572 659083977 /nfs/dbraw/zinc/08/39/77/659083977.db2.gz KHEUSAXGFZERQD-GFCCVEGCSA-N -1 1 391.808 2.562 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000800931051 659351882 /nfs/dbraw/zinc/35/18/82/659351882.db2.gz XPFGQJYHPMRXMN-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809827650 659944953 /nfs/dbraw/zinc/94/49/53/659944953.db2.gz QQDVIPZSEVZSRR-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccnc2F)c(Cl)cc1Cl ZINC000809841329 659948119 /nfs/dbraw/zinc/94/81/19/659948119.db2.gz FXCTWFSEIVVYQG-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832238 660016417 /nfs/dbraw/zinc/01/64/17/660016417.db2.gz NJVUKJMREGVCJU-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000814979994 660099628 /nfs/dbraw/zinc/09/96/28/660099628.db2.gz YZUHWDLHSXKHQV-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000815023797 660103229 /nfs/dbraw/zinc/10/32/29/660103229.db2.gz INRGLGVMPJMZRF-GFCCVEGCSA-N -1 1 396.824 2.643 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000815033595 660104927 /nfs/dbraw/zinc/10/49/27/660104927.db2.gz MSQPPUZYXZEFHE-LSDHHAIUSA-N -1 1 392.836 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000815075256 660109606 /nfs/dbraw/zinc/10/96/06/660109606.db2.gz TYDXGPSSLUGOGX-GFCCVEGCSA-N -1 1 376.862 2.715 20 5 GFBDMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841555840 661299212 /nfs/dbraw/zinc/29/92/12/661299212.db2.gz SIGCCKJVAVUTIZ-SNVBAGLBSA-N -1 1 397.236 2.522 20 5 GFBDMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849419781 661720612 /nfs/dbraw/zinc/72/06/12/661720612.db2.gz OVWFBLPZJIIYTJ-SNVBAGLBSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c(Cl)cc1Cl ZINC000849448489 661727351 /nfs/dbraw/zinc/72/73/51/661727351.db2.gz ZJYRXQVUDKQKGA-MRVPVSSYSA-N -1 1 381.237 2.892 20 5 GFBDMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859292294 662150376 /nfs/dbraw/zinc/15/03/76/662150376.db2.gz WTPOHLJCVJVKAB-WPPNPWJKSA-N -1 1 381.237 2.747 20 5 GFBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000872655726 662783433 /nfs/dbraw/zinc/78/34/33/662783433.db2.gz GNHVTSSHGLVAMY-KQZUMFKRSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000921580922 664555322 /nfs/dbraw/zinc/55/53/22/664555322.db2.gz XVXOBPINZUJLQH-KWQFWETISA-N -1 1 386.323 2.512 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000921585903 664555901 /nfs/dbraw/zinc/55/59/01/664555901.db2.gz HZLIFDXNPOXUBR-KWQFWETISA-N -1 1 386.323 2.512 20 5 GFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000121079090 677398672 /nfs/dbraw/zinc/39/86/72/677398672.db2.gz PCWKEDYLYAZGHY-UHFFFAOYSA-N -1 1 390.190 2.879 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127795299 551345093 /nfs/dbraw/zinc/34/50/93/551345093.db2.gz VZVNLBZVVPGSKA-RISCZKNCSA-N -1 1 376.862 2.858 20 5 GFBDMM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162085957 551602985 /nfs/dbraw/zinc/60/29/85/551602985.db2.gz ZWRWIQHRRYQCDM-SNVBAGLBSA-N -1 1 382.269 2.664 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000173542680 552087640 /nfs/dbraw/zinc/08/76/40/552087640.db2.gz DCHMQVUXDDQUOG-CHWSQXEVSA-N -1 1 384.845 2.907 20 5 GFBDMM O=C(c1cc(Br)ccc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188534421 552447120 /nfs/dbraw/zinc/44/71/20/552447120.db2.gz KBLSCLLUPKDPKD-UHFFFAOYSA-N -1 1 393.193 2.966 20 5 GFBDMM COC(=O)c1cc([N-]C(=O)c2ncc(Br)s2)cc([N+](=O)[O-])c1 ZINC000192426254 552563028 /nfs/dbraw/zinc/56/30/28/552563028.db2.gz RHRRUQZRMMDRRM-UHFFFAOYSA-N -1 1 386.183 2.853 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(Br)cccc2C1 ZINC000193501117 552995161 /nfs/dbraw/zinc/99/51/61/552995161.db2.gz WGHDVDJDZCWGKM-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=C(NCC1(c2cccc(Br)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193587964 552997695 /nfs/dbraw/zinc/99/76/95/552997695.db2.gz IHSUZYSOJYMBIX-UHFFFAOYSA-N -1 1 392.209 2.920 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](CO)c2ccccc21 ZINC000372721748 563315492 /nfs/dbraw/zinc/31/54/92/563315492.db2.gz DRMWIPCJFBPHIM-YGRLFVJLSA-N -1 1 382.825 2.747 20 5 GFBDMM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC000374435249 563372766 /nfs/dbraw/zinc/37/27/66/563372766.db2.gz JAAYQINWKQVXJP-NSHDSACASA-N -1 1 384.845 2.609 20 5 GFBDMM CCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000330535370 563509678 /nfs/dbraw/zinc/50/96/78/563509678.db2.gz OQERJMPBFNRAKQ-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000432273601 563578731 /nfs/dbraw/zinc/57/87/31/563578731.db2.gz BLXLLDZXFSRAHG-HNNXBMFYSA-N -1 1 382.463 2.839 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443273405 563798507 /nfs/dbraw/zinc/79/85/07/563798507.db2.gz VGAMOYQYLJWMDM-LLVKDONJSA-N -1 1 392.767 2.538 20 5 GFBDMM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542242241 564306967 /nfs/dbraw/zinc/30/69/67/564306967.db2.gz VHVKRPHBVWJLOZ-LLVKDONJSA-N -1 1 388.829 2.767 20 5 GFBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)C ZINC000512181576 564395075 /nfs/dbraw/zinc/39/50/75/564395075.db2.gz OGYBQMVSUIFWNC-LBPRGKRZSA-N -1 1 392.861 2.893 20 5 GFBDMM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480602130 564478997 /nfs/dbraw/zinc/47/89/97/564478997.db2.gz ARMAXFLIRGPQEI-AWEZNQCLSA-N -1 1 384.479 2.973 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000570783324 564521542 /nfs/dbraw/zinc/52/15/42/564521542.db2.gz RXNITNHZGYIYOR-SNVBAGLBSA-N -1 1 397.356 2.642 20 5 GFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000580795773 564773936 /nfs/dbraw/zinc/77/39/36/564773936.db2.gz AEAPPCDTROZSCW-LLVKDONJSA-N -1 1 376.843 2.976 20 5 GFBDMM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000531775104 564919965 /nfs/dbraw/zinc/91/99/65/564919965.db2.gz WJACDQYPNFJXNB-UHFFFAOYSA-N -1 1 378.797 2.931 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(F)F ZINC000592067835 565251704 /nfs/dbraw/zinc/25/17/04/565251704.db2.gz VBSDEOFZMXWKSF-ZETCQYMHSA-N -1 1 387.202 2.927 20 5 GFBDMM O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000604431832 565929163 /nfs/dbraw/zinc/92/91/63/565929163.db2.gz YRPVJPFQCMUMPU-VIFPVBQESA-N -1 1 390.826 2.804 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)s1 ZINC000610161536 566068879 /nfs/dbraw/zinc/06/88/79/566068879.db2.gz AJEKOAKZXVYLHY-ZDUSSCGKSA-N -1 1 378.435 2.573 20 5 GFBDMM O=[N+]([O-])c1ccccc1NCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738368048 599260126 /nfs/dbraw/zinc/26/01/26/599260126.db2.gz CMMZWBRXRVQLIJ-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM O=[N+]([O-])c1ccccc1NCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738368048 599260128 /nfs/dbraw/zinc/26/01/28/599260128.db2.gz CMMZWBRXRVQLIJ-UHFFFAOYSA-N -1 1 376.380 2.847 20 5 GFBDMM Cc1nnc(Oc2ccc([N+](=O)[O-])cc2Br)c(-c2nnn[n-]2)c1C ZINC000737533987 599531475 /nfs/dbraw/zinc/53/14/75/599531475.db2.gz QHXXOGWTLWCSRX-UHFFFAOYSA-N -1 1 392.173 2.737 20 5 GFBDMM Cc1nnc(Oc2ccc([N+](=O)[O-])cc2Br)c(-c2nn[n-]n2)c1C ZINC000737533987 599531477 /nfs/dbraw/zinc/53/14/77/599531477.db2.gz QHXXOGWTLWCSRX-UHFFFAOYSA-N -1 1 392.173 2.737 20 5 GFBDMM COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)c1 ZINC000826216646 607451689 /nfs/dbraw/zinc/45/16/89/607451689.db2.gz IIHXXQNMULXQSG-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)c1 ZINC000826216646 607451691 /nfs/dbraw/zinc/45/16/91/607451691.db2.gz IIHXXQNMULXQSG-CYBMUJFWSA-N -1 1 395.423 2.722 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)nc2)cc1-c1nnn[n-]1 ZINC000826498779 607452487 /nfs/dbraw/zinc/45/24/87/607452487.db2.gz JIWKCFRPPFQMIT-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)nc2)cc1-c1nn[n-]n1 ZINC000826498779 607452489 /nfs/dbraw/zinc/45/24/89/607452489.db2.gz JIWKCFRPPFQMIT-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832482124 601317111 /nfs/dbraw/zinc/31/71/11/601317111.db2.gz ZSJBKEUQMYBECF-WTKPLQERSA-N -1 1 378.362 2.502 20 5 GFBDMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000833549863 604942371 /nfs/dbraw/zinc/94/23/71/604942371.db2.gz HIPSVRWSWHRBAM-CYBMUJFWSA-N -1 1 398.419 2.643 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000823619867 606698974 /nfs/dbraw/zinc/69/89/74/606698974.db2.gz CIEJYNUEWJMQHI-LLVKDONJSA-N -1 1 392.379 2.695 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000823619867 606698975 /nfs/dbraw/zinc/69/89/75/606698975.db2.gz CIEJYNUEWJMQHI-LLVKDONJSA-N -1 1 392.379 2.695 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCOCCc1ccccc1 ZINC000823625465 606700501 /nfs/dbraw/zinc/70/05/01/606700501.db2.gz WIOBVFCDZRFKEB-UHFFFAOYSA-N -1 1 383.412 2.621 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCOCCc1ccccc1 ZINC000823625465 606700502 /nfs/dbraw/zinc/70/05/02/606700502.db2.gz WIOBVFCDZRFKEB-UHFFFAOYSA-N -1 1 383.412 2.621 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823620853 606709408 /nfs/dbraw/zinc/70/94/08/606709408.db2.gz RGDORUUOJUEFGS-UHFFFAOYSA-N -1 1 387.350 2.832 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000823620853 606709410 /nfs/dbraw/zinc/70/94/10/606709410.db2.gz RGDORUUOJUEFGS-UHFFFAOYSA-N -1 1 387.350 2.832 20 5 GFBDMM Cc1ccc(Oc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)nn1 ZINC000822267095 606712160 /nfs/dbraw/zinc/71/21/60/606712160.db2.gz OJBZLJSZJSEFOR-UHFFFAOYSA-N -1 1 391.351 2.804 20 5 GFBDMM Cc1ccc(Oc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)nn1 ZINC000822267095 606712161 /nfs/dbraw/zinc/71/21/61/606712161.db2.gz OJBZLJSZJSEFOR-UHFFFAOYSA-N -1 1 391.351 2.804 20 5 GFBDMM O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826456884 607839911 /nfs/dbraw/zinc/83/99/11/607839911.db2.gz CJQLGYSZRQQDQI-UHFFFAOYSA-N -1 1 393.407 2.630 20 5 GFBDMM O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826456884 607839912 /nfs/dbraw/zinc/83/99/12/607839912.db2.gz CJQLGYSZRQQDQI-UHFFFAOYSA-N -1 1 393.407 2.630 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(C)C ZINC000841562406 661301925 /nfs/dbraw/zinc/30/19/25/661301925.db2.gz YWCJQCGBECNWER-GWCFXTLKSA-N -1 1 385.269 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000829798287 660614493 /nfs/dbraw/zinc/61/44/93/660614493.db2.gz SXRYRGNQPXUCBP-UHFFFAOYSA-N -1 1 375.769 2.574 20 5 GFBDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831023646 660691223 /nfs/dbraw/zinc/69/12/23/660691223.db2.gz AGMGVTQYWLPBCW-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC000831063781 660692299 /nfs/dbraw/zinc/69/22/99/660692299.db2.gz XRKRWRUYCDBKPE-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c(Cl)cc1Cl ZINC000832317714 660772798 /nfs/dbraw/zinc/77/27/98/660772798.db2.gz PASJHVDGUQGEBI-LBPRGKRZSA-N -1 1 381.237 2.749 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1C ZINC000060442482 654829875 /nfs/dbraw/zinc/82/98/75/654829875.db2.gz OOKMNJZXTHBOCD-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000269102062 654997988 /nfs/dbraw/zinc/99/79/88/654997988.db2.gz ACYPXAMQIVGNPC-BXUZGUMPSA-N -1 1 392.886 2.581 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000269155890 654999967 /nfs/dbraw/zinc/99/99/67/654999967.db2.gz UVLJLWSJVJJMNW-HZMBPMFUSA-N -1 1 392.886 2.581 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000172285373 655157382 /nfs/dbraw/zinc/15/73/82/655157382.db2.gz ZDKQTCGIDIFLTM-UHFFFAOYSA-N -1 1 382.825 2.704 20 5 GFBDMM COc1ccccc1OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817279 655526563 /nfs/dbraw/zinc/52/65/63/655526563.db2.gz OTPJTYLEVXGEDT-UHFFFAOYSA-N -1 1 386.813 2.614 20 5 GFBDMM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734849125 655635458 /nfs/dbraw/zinc/63/54/58/655635458.db2.gz XZBCPQQIKHQYTQ-CYBMUJFWSA-N -1 1 382.829 2.703 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000757728977 655915746 /nfs/dbraw/zinc/91/57/46/655915746.db2.gz SQDLNOMAHCUVEL-UHFFFAOYSA-N -1 1 389.202 2.975 20 5 GFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000769046143 656263926 /nfs/dbraw/zinc/26/39/26/656263926.db2.gz JOBMTURATRHVIE-UHFFFAOYSA-N -1 1 395.165 2.858 20 5 GFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccnn1C ZINC000788075821 657646641 /nfs/dbraw/zinc/64/66/41/657646641.db2.gz BKVOXJZXJANEAT-GFCCVEGCSA-N -1 1 386.861 2.700 20 5 GFBDMM COC(=O)c1cc([N-]C(=O)c2nc(Br)ccc2F)cc([N+](=O)[O-])c1 ZINC000791599750 658139221 /nfs/dbraw/zinc/13/92/21/658139221.db2.gz SRUDRFJMIMKLOM-UHFFFAOYSA-N -1 1 398.144 2.930 20 5 GFBDMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000799831297 659234200 /nfs/dbraw/zinc/23/42/00/659234200.db2.gz CKORCRPSYQRDGS-JQWIXIFHSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1cnc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c([O-])c1 ZINC000803545491 659587325 /nfs/dbraw/zinc/58/73/25/659587325.db2.gz DXFADFZSFLKEPM-UHFFFAOYSA-N -1 1 392.209 2.965 20 5 GFBDMM COC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808354434 659892498 /nfs/dbraw/zinc/89/24/98/659892498.db2.gz MNMHRTRYLTZSSB-GFCCVEGCSA-N -1 1 376.843 2.976 20 5 GFBDMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C ZINC000809814681 659941348 /nfs/dbraw/zinc/94/13/48/659941348.db2.gz XLJVIFNEFLFIIU-UHFFFAOYSA-N -1 1 390.824 2.699 20 5 GFBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809818456 659941972 /nfs/dbraw/zinc/94/19/72/659941972.db2.gz DFXHUXNKFQGOQV-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000809827226 659944973 /nfs/dbraw/zinc/94/49/73/659944973.db2.gz HMHSPLKAKSULLB-YGRLFVJLSA-N -1 1 394.852 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)cc1Cl ZINC000809827392 659945033 /nfs/dbraw/zinc/94/50/33/659945033.db2.gz MXVMBMAUIGBHRV-UHFFFAOYSA-N -1 1 386.788 2.896 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)c(Cl)cc1Cl ZINC000809830504 659946032 /nfs/dbraw/zinc/94/60/32/659946032.db2.gz ZCVRQOZQNJPMEL-LLVKDONJSA-N -1 1 397.261 2.975 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nccs1 ZINC000809831404 659946328 /nfs/dbraw/zinc/94/63/28/659946328.db2.gz UPGIWCSTASKEMS-ZETCQYMHSA-N -1 1 379.822 2.926 20 5 GFBDMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809832262 659946740 /nfs/dbraw/zinc/94/67/40/659946740.db2.gz ORFQMFZQMOFMBP-NXEZZACHSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)cc1Cl ZINC000815075400 660109750 /nfs/dbraw/zinc/10/97/50/660109750.db2.gz YZFCYWDPTUSIOP-NSHDSACASA-N -1 1 394.852 2.854 20 5 GFBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000874927183 662839748 /nfs/dbraw/zinc/83/97/48/662839748.db2.gz DGHJMDCTECPMHU-XCVCLJGOSA-N -1 1 378.284 2.868 20 5 GFBDMM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056068797 551176156 /nfs/dbraw/zinc/17/61/56/551176156.db2.gz KCURGJHIEOVUJQ-UHFFFAOYSA-N -1 1 385.829 2.909 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2)s1 ZINC000134957207 551386882 /nfs/dbraw/zinc/38/68/82/551386882.db2.gz XEEPPUPNCKPSJB-NSHDSACASA-N -1 1 385.442 2.743 20 5 GFBDMM Cc1ccc(Sc2nsc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000181894159 552270490 /nfs/dbraw/zinc/27/04/90/552270490.db2.gz LKDWPXUBLSZBHJ-UHFFFAOYSA-N -1 1 376.423 2.892 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000392682668 563527176 /nfs/dbraw/zinc/52/71/76/563527176.db2.gz FTYOQEIYFYLHJM-CYBMUJFWSA-N -1 1 392.861 2.893 20 5 GFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000439118031 563717687 /nfs/dbraw/zinc/71/76/87/563717687.db2.gz JSVJLQYFDVHEHJ-UHFFFAOYSA-N -1 1 388.199 2.916 20 5 GFBDMM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540069760 564239278 /nfs/dbraw/zinc/23/92/78/564239278.db2.gz IYVNRUXALYYFDY-ZUZCIYMTSA-N -1 1 386.451 2.719 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567437934 564372017 /nfs/dbraw/zinc/37/20/17/564372017.db2.gz MLKJGSQTAVBJBW-NWDGAFQWSA-N -1 1 378.182 2.744 20 5 GFBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452061889 564387774 /nfs/dbraw/zinc/38/77/74/564387774.db2.gz QOGVQQVTFCLMHY-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000512180888 564394374 /nfs/dbraw/zinc/39/43/74/564394374.db2.gz MCARPSLYEXMZSH-UHFFFAOYSA-N -1 1 382.825 2.704 20 5 GFBDMM Nc1nccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000548058150 564529216 /nfs/dbraw/zinc/52/92/16/564529216.db2.gz GHGGPNYAQPAMEY-UHFFFAOYSA-N -1 1 394.463 2.860 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])n1 ZINC000572783854 564610164 /nfs/dbraw/zinc/61/01/64/564610164.db2.gz FTQOZMGNZYEPPN-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461797988 564806095 /nfs/dbraw/zinc/80/60/95/564806095.db2.gz SSDNLEAUSBUUIY-LBPRGKRZSA-N -1 1 376.862 2.715 20 5 GFBDMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122119 564955643 /nfs/dbraw/zinc/95/56/43/564955643.db2.gz IDAMJNDLYOKFPT-JTQLQIEISA-N -1 1 378.435 2.509 20 5 GFBDMM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000591743553 565237535 /nfs/dbraw/zinc/23/75/35/565237535.db2.gz DNYKHFTYJMWYKW-RDDDGLTNSA-N -1 1 399.252 2.925 20 5 GFBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592109369 565257339 /nfs/dbraw/zinc/25/73/39/565257339.db2.gz AJGSQCMILVSDGH-CBAPKCEASA-N -1 1 381.273 2.530 20 5 GFBDMM O=[N+]([O-])c1c(N[C@H]2CCSC2)cc(N[C@@H]2CCSC2)cc1-c1nnn[n-]1 ZINC000823630264 599078806 /nfs/dbraw/zinc/07/88/06/599078806.db2.gz USGDMQUMGCLCPS-ZJUUUORDSA-N -1 1 393.498 2.610 20 5 GFBDMM O=[N+]([O-])c1c(N[C@H]2CCSC2)cc(N[C@@H]2CCSC2)cc1-c1nn[n-]n1 ZINC000823630264 599078808 /nfs/dbraw/zinc/07/88/08/599078808.db2.gz USGDMQUMGCLCPS-ZJUUUORDSA-N -1 1 393.498 2.610 20 5 GFBDMM CCc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc12 ZINC000821470678 599195212 /nfs/dbraw/zinc/19/52/12/599195212.db2.gz RVJDMXDSTPPPGF-UHFFFAOYSA-N -1 1 380.320 2.631 20 5 GFBDMM CCc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc12 ZINC000821470678 599195214 /nfs/dbraw/zinc/19/52/14/599195214.db2.gz RVJDMXDSTPPPGF-UHFFFAOYSA-N -1 1 380.320 2.631 20 5 GFBDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000555470294 601474800 /nfs/dbraw/zinc/47/48/00/601474800.db2.gz OBGZDGPVZFTAKB-UHFFFAOYSA-N -1 1 380.378 2.719 20 5 GFBDMM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000828671984 601480665 /nfs/dbraw/zinc/48/06/65/601480665.db2.gz JPTTUZPDZZENOH-LBPRGKRZSA-N -1 1 385.225 2.823 20 5 GFBDMM O=C([O-])[C@]1(NC(=O)c2csc([N+](=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000833128896 601733632 /nfs/dbraw/zinc/73/36/32/601733632.db2.gz PIUONHZWCABHES-SFHVURJKSA-N -1 1 389.433 2.506 20 5 GFBDMM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825894707 603560622 /nfs/dbraw/zinc/56/06/22/603560622.db2.gz JFWHMVLPFTWHCS-SGTLLEGYSA-N -1 1 389.412 2.951 20 5 GFBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711202 603624726 /nfs/dbraw/zinc/62/47/26/603624726.db2.gz BHFGZIDIDBPIBG-SNVBAGLBSA-N -1 1 386.836 2.801 20 5 GFBDMM O=C([O-])CCCN(Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833226980 604766472 /nfs/dbraw/zinc/76/64/72/604766472.db2.gz ZMRXVOYQRXMRFI-UHFFFAOYSA-N -1 1 385.376 2.827 20 5 GFBDMM CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1OC ZINC000833663125 605328007 /nfs/dbraw/zinc/32/80/07/605328007.db2.gz PVGBMMRUOIUVCW-UHFFFAOYSA-N -1 1 396.377 2.501 20 5 GFBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](C)C3)c2)C[C@H]1C ZINC000820767921 606417705 /nfs/dbraw/zinc/41/77/05/606417705.db2.gz KEQNBVPOQRQUNJ-KPWCQOOUSA-N -1 1 385.472 2.959 20 5 GFBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](C)C3)c2)C[C@H]1C ZINC000820767921 606417707 /nfs/dbraw/zinc/41/77/07/606417707.db2.gz KEQNBVPOQRQUNJ-KPWCQOOUSA-N -1 1 385.472 2.959 20 5 GFBDMM COc1cc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1SC ZINC000821717719 606704659 /nfs/dbraw/zinc/70/46/59/606704659.db2.gz VXGVNFUWFMUYCU-UHFFFAOYSA-N -1 1 387.425 2.537 20 5 GFBDMM COc1cc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1SC ZINC000821717719 606704660 /nfs/dbraw/zinc/70/46/60/606704660.db2.gz VXGVNFUWFMUYCU-UHFFFAOYSA-N -1 1 387.425 2.537 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1nc2c(s1)CCCC2 ZINC000823625616 606707506 /nfs/dbraw/zinc/70/75/06/606707506.db2.gz ZZRGGGFTNTWZLM-UHFFFAOYSA-N -1 1 386.441 2.550 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1nc2c(s1)CCCC2 ZINC000823625616 606707508 /nfs/dbraw/zinc/70/75/08/606707508.db2.gz ZZRGGGFTNTWZLM-UHFFFAOYSA-N -1 1 386.441 2.550 20 5 GFBDMM COc1ccc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000821786231 606715525 /nfs/dbraw/zinc/71/55/25/606715525.db2.gz BSXYGLFMNMIYHJ-UHFFFAOYSA-N -1 1 381.396 2.563 20 5 GFBDMM COc1ccc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821786231 606715526 /nfs/dbraw/zinc/71/55/26/606715526.db2.gz BSXYGLFMNMIYHJ-UHFFFAOYSA-N -1 1 381.396 2.563 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1c(F)cccc1OC(F)F ZINC000823624541 606716150 /nfs/dbraw/zinc/71/61/50/606716150.db2.gz CDHKXUHJJVHGOU-UHFFFAOYSA-N -1 1 381.274 2.523 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1c(F)cccc1OC(F)F ZINC000823624541 606716151 /nfs/dbraw/zinc/71/61/51/606716151.db2.gz CDHKXUHJJVHGOU-UHFFFAOYSA-N -1 1 381.274 2.523 20 5 GFBDMM CCc1cc(=O)oc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc12 ZINC000821470188 607162836 /nfs/dbraw/zinc/16/28/36/607162836.db2.gz NCNBVDFMVDEIFW-UHFFFAOYSA-N -1 1 380.320 2.631 20 5 GFBDMM CCc1cc(=O)oc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc12 ZINC000821470188 607162837 /nfs/dbraw/zinc/16/28/37/607162837.db2.gz NCNBVDFMVDEIFW-UHFFFAOYSA-N -1 1 380.320 2.631 20 5 GFBDMM O=Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Br)c1 ZINC000823556965 607162923 /nfs/dbraw/zinc/16/29/23/607162923.db2.gz CHFSUIKLZMLVJW-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=Cc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(Br)c1 ZINC000823556965 607162924 /nfs/dbraw/zinc/16/29/24/607162924.db2.gz CHFSUIKLZMLVJW-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nnn[n-]2)c(Br)c1 ZINC000826501059 607867289 /nfs/dbraw/zinc/86/72/89/607867289.db2.gz XSVOONVVKLNOBQ-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nn[n-]n2)c(Br)c1 ZINC000826501059 607867290 /nfs/dbraw/zinc/86/72/90/607867290.db2.gz XSVOONVVKLNOBQ-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826497342 608234179 /nfs/dbraw/zinc/23/41/79/608234179.db2.gz DJJSJAXABFWOPL-HNNXBMFYSA-N -1 1 392.354 2.906 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826497342 608234180 /nfs/dbraw/zinc/23/41/80/608234180.db2.gz DJJSJAXABFWOPL-HNNXBMFYSA-N -1 1 392.354 2.906 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2ccc(Br)cc21 ZINC000823621133 660376722 /nfs/dbraw/zinc/37/67/22/660376722.db2.gz WIQBOSDBVZHBPM-UHFFFAOYSA-N -1 1 388.185 2.627 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2ccc(Br)cc21 ZINC000823621133 660376723 /nfs/dbraw/zinc/37/67/23/660376723.db2.gz WIQBOSDBVZHBPM-UHFFFAOYSA-N -1 1 388.185 2.627 20 5 GFBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633562 660668186 /nfs/dbraw/zinc/66/81/86/660668186.db2.gz SHKZTKMXCMEJSI-AMIZOPFISA-N -1 1 385.269 2.977 20 5 GFBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830972554 660688960 /nfs/dbraw/zinc/68/89/60/660688960.db2.gz PFXOQWVLMMCNMP-QMMMGPOBSA-N -1 1 399.252 2.912 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c1Cl ZINC000831339829 660708438 /nfs/dbraw/zinc/70/84/38/660708438.db2.gz XLAOFWSEXOKWQP-SECBINFHSA-N -1 1 383.253 2.731 20 5 GFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC ZINC000831763589 660725200 /nfs/dbraw/zinc/72/52/00/660725200.db2.gz NSZWXDVZOURPBD-QMMMGPOBSA-N -1 1 399.238 2.590 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c1Cl ZINC000832318371 660772689 /nfs/dbraw/zinc/77/26/89/660772689.db2.gz YGRYGKXMPBOVFG-SNVBAGLBSA-N -1 1 381.237 2.749 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)c1 ZINC000125288234 654790063 /nfs/dbraw/zinc/79/00/63/654790063.db2.gz GVEWGGRBOVSVDS-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000066000284 654892045 /nfs/dbraw/zinc/89/20/45/654892045.db2.gz FWTFUEUWPGZGPW-AWEZNQCLSA-N -1 1 381.479 2.599 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(Cl)c1 ZINC000071091996 654999263 /nfs/dbraw/zinc/99/92/63/654999263.db2.gz NUQRBTMRICKAJM-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM COc1c(C)cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000101575923 655044778 /nfs/dbraw/zinc/04/47/78/655044778.db2.gz KDELRPQKCBBWNN-UHFFFAOYSA-N -1 1 385.829 2.747 20 5 GFBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(N3CCCC3=O)c2)s1 ZINC000272797500 655121621 /nfs/dbraw/zinc/12/16/21/655121621.db2.gz DCEPGTFLALTPFT-UHFFFAOYSA-N -1 1 381.435 2.930 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000161591590 655127868 /nfs/dbraw/zinc/12/78/68/655127868.db2.gz ALQOVGKXOHQCLW-JTQLQIEISA-N -1 1 396.368 2.687 20 5 GFBDMM O=C(CSc1ncccc1Br)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000735981706 655656560 /nfs/dbraw/zinc/65/65/60/655656560.db2.gz NNUTZEFRTITEHR-UHFFFAOYSA-N -1 1 396.222 2.801 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000743342689 655727944 /nfs/dbraw/zinc/72/79/44/655727944.db2.gz BZQCWWOQEPAVDA-UHFFFAOYSA-N -1 1 391.165 2.978 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751488851 655829811 /nfs/dbraw/zinc/82/98/11/655829811.db2.gz WUPZJHATVAESRG-LKFCYVNXSA-N -1 1 388.804 2.788 20 5 GFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ncc(Br)cc1F ZINC000759500778 655955803 /nfs/dbraw/zinc/95/58/03/655955803.db2.gz YXWUFGNEXXYTNG-UHFFFAOYSA-N -1 1 390.190 2.833 20 5 GFBDMM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC000773058053 656397968 /nfs/dbraw/zinc/39/79/68/656397968.db2.gz QQCJCXJJQBVWOD-CYBMUJFWSA-N -1 1 384.435 2.857 20 5 GFBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777956683 656846370 /nfs/dbraw/zinc/84/63/70/656846370.db2.gz MWKZVQJZFDGTIA-UHFFFAOYSA-N -1 1 391.236 2.687 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000798223498 659083274 /nfs/dbraw/zinc/08/32/74/659083274.db2.gz RPLAAIBQDSPDGB-UHFFFAOYSA-N -1 1 388.760 2.595 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)c(Cl)cc1Cl ZINC000809809593 659940639 /nfs/dbraw/zinc/94/06/39/659940639.db2.gz SLLUIHYDXRKFSP-UHFFFAOYSA-N -1 1 393.208 2.641 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000809820722 659943001 /nfs/dbraw/zinc/94/30/01/659943001.db2.gz AWJLRLDXKBPUGL-PCTYZZJISA-N -1 1 392.836 2.869 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]21 ZINC000809820720 659943015 /nfs/dbraw/zinc/94/30/15/659943015.db2.gz AWJLRLDXKBPUGL-GFWSLJDESA-N -1 1 392.836 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)cc1Cl ZINC000809821391 659943416 /nfs/dbraw/zinc/94/34/16/659943416.db2.gz RMFGNZPSIURRLG-AWEZNQCLSA-N -1 1 388.804 2.789 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)c1ccccc1 ZINC000809847000 659948703 /nfs/dbraw/zinc/94/87/03/659948703.db2.gz NMLOKKJYOJOVGQ-BJOHPYRUSA-N -1 1 388.804 2.788 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1F ZINC000815015312 660101650 /nfs/dbraw/zinc/10/16/50/660101650.db2.gz IYMDKLCCGOTBOI-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000815024436 660103399 /nfs/dbraw/zinc/10/33/99/660103399.db2.gz BWBQVJBWPJFEGM-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000815031068 660104337 /nfs/dbraw/zinc/10/43/37/660104337.db2.gz MXAQPVJWDFKGKH-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000815048006 660107208 /nfs/dbraw/zinc/10/72/08/660107208.db2.gz RUHHATJTOGNBHV-VIFPVBQESA-N -1 1 386.788 2.842 20 5 GFBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000841548409 661296463 /nfs/dbraw/zinc/29/64/63/661296463.db2.gz ITMVITVGSSMDGP-STQMWFEESA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CCC(O)CC2)c(Cl)cc1Cl ZINC000851821394 661834776 /nfs/dbraw/zinc/83/47/76/661834776.db2.gz UVGUFPGGMWWYLX-UHFFFAOYSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCC2(COC2)CC1 ZINC000882822296 663043207 /nfs/dbraw/zinc/04/32/07/663043207.db2.gz CQCPETFXGJZGRO-UHFFFAOYSA-N -1 1 378.809 2.625 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157892917 551544611 /nfs/dbraw/zinc/54/46/11/551544611.db2.gz DKUOOOWRBAAZJU-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000171596261 551659167 /nfs/dbraw/zinc/65/91/67/551659167.db2.gz PJZFJHPWTQWVLF-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000295371429 563244720 /nfs/dbraw/zinc/24/47/20/563244720.db2.gz PUTPOHXWDPTAJV-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3nccn3C)s2)c1 ZINC000371074146 563264383 /nfs/dbraw/zinc/26/43/83/563264383.db2.gz HMVUBDXPAOGZKV-UHFFFAOYSA-N -1 1 376.423 2.821 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000432273602 563578789 /nfs/dbraw/zinc/57/87/89/563578789.db2.gz BLXLLDZXFSRAHG-OAHLLOKOSA-N -1 1 382.463 2.839 20 5 GFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416629595 563855612 /nfs/dbraw/zinc/85/56/12/563855612.db2.gz ZOHFMIZYWJYVPS-UHFFFAOYSA-N -1 1 395.275 2.839 20 5 GFBDMM Cc1cc(Br)cc2c1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000539374853 564217740 /nfs/dbraw/zinc/21/77/40/564217740.db2.gz LPPGAISWTXKGDD-UHFFFAOYSA-N -1 1 392.209 2.965 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C2(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000452006649 564380228 /nfs/dbraw/zinc/38/02/28/564380228.db2.gz OTSRRYVOOUOPHK-UHFFFAOYSA-N -1 1 384.845 2.518 20 5 GFBDMM CC(C)(C)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547876291 564515251 /nfs/dbraw/zinc/51/52/51/564515251.db2.gz YXSXLLHJOMLZAR-JTQLQIEISA-N -1 1 385.225 2.679 20 5 GFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532539113 564940056 /nfs/dbraw/zinc/94/00/56/564940056.db2.gz PNSARFODSYGCDY-UHFFFAOYSA-N -1 1 376.272 2.532 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505040651 565047896 /nfs/dbraw/zinc/04/78/96/565047896.db2.gz WFECOKIRFFZRLY-VIFPVBQESA-N -1 1 380.407 2.746 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000592099297 565255242 /nfs/dbraw/zinc/25/52/42/565255242.db2.gz FBLZAPGGEUQLBG-JTQLQIEISA-N -1 1 378.834 2.647 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000593557986 565341348 /nfs/dbraw/zinc/34/13/48/565341348.db2.gz QMOVEYFFOFYPLP-QMMMGPOBSA-N -1 1 396.372 2.895 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000610263014 566074145 /nfs/dbraw/zinc/07/41/45/566074145.db2.gz BPARTKJOVBZVPJ-ZDUSSCGKSA-N -1 1 376.419 2.514 20 5 GFBDMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021684 566110974 /nfs/dbraw/zinc/11/09/74/566110974.db2.gz AZEKZUYKGNUGPH-RISCZKNCSA-N -1 1 384.841 2.691 20 5 GFBDMM COC(=O)c1csc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C ZINC000611443527 566130633 /nfs/dbraw/zinc/13/06/33/566130633.db2.gz ATRZTJXKXITCIW-UHFFFAOYSA-N -1 1 384.435 2.736 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000612172593 566153751 /nfs/dbraw/zinc/15/37/51/566153751.db2.gz AJZVWCCQYFOGER-JTQLQIEISA-N -1 1 390.751 2.938 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc12 ZINC000738371334 598722088 /nfs/dbraw/zinc/72/20/88/598722088.db2.gz IZSFUHVZFKSXPK-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740047147 602654885 /nfs/dbraw/zinc/65/48/85/602654885.db2.gz CLLRPMIIOLIZIA-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826289352 607654876 /nfs/dbraw/zinc/65/48/76/607654876.db2.gz WTAYKKKUBMADML-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C([O-])CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000833225668 604802072 /nfs/dbraw/zinc/80/20/72/604802072.db2.gz DBCZQDZOADAYTM-UHFFFAOYSA-N -1 1 397.431 2.851 20 5 GFBDMM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821617107 606644799 /nfs/dbraw/zinc/64/47/99/606644799.db2.gz WZSUCEHFDRXFPD-UHFFFAOYSA-N -1 1 376.380 2.597 20 5 GFBDMM CC(C)c1nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202418 606645366 /nfs/dbraw/zinc/64/53/66/606645366.db2.gz HXOVHPZZZHEHRL-NSHDSACASA-N -1 1 384.400 2.665 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(F)cc1C(F)(F)F ZINC000823625404 606698713 /nfs/dbraw/zinc/69/87/13/606698713.db2.gz UMPGQOIEJPOPFJ-UHFFFAOYSA-N -1 1 383.265 2.940 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(F)cc1C(F)(F)F ZINC000823625404 606698715 /nfs/dbraw/zinc/69/87/15/606698715.db2.gz UMPGQOIEJPOPFJ-UHFFFAOYSA-N -1 1 383.265 2.940 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823614981 606700082 /nfs/dbraw/zinc/70/00/82/606700082.db2.gz WIOVFFXZXPFODY-UHFFFAOYSA-N -1 1 381.371 2.993 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823614981 606700083 /nfs/dbraw/zinc/70/00/83/606700083.db2.gz WIOVFFXZXPFODY-UHFFFAOYSA-N -1 1 381.371 2.993 20 5 GFBDMM Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OCC(F)F ZINC000822259476 606706599 /nfs/dbraw/zinc/70/65/99/606706599.db2.gz YEPHUZUCKVUZLM-UHFFFAOYSA-N -1 1 377.311 2.866 20 5 GFBDMM Cc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OCC(F)F ZINC000822259476 606706600 /nfs/dbraw/zinc/70/66/00/606706600.db2.gz YEPHUZUCKVUZLM-UHFFFAOYSA-N -1 1 377.311 2.866 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621153 606712992 /nfs/dbraw/zinc/71/29/92/606712992.db2.gz XDGAYTFQEIZEMF-LDYMZIIASA-N -1 1 375.751 2.930 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621153 606712994 /nfs/dbraw/zinc/71/29/94/606712994.db2.gz XDGAYTFQEIZEMF-LDYMZIIASA-N -1 1 375.751 2.930 20 5 GFBDMM Cc1cc(C)cc(-c2nnc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])o2)c1 ZINC000822196303 607164922 /nfs/dbraw/zinc/16/49/22/607164922.db2.gz DGILELDGPSIEEP-UHFFFAOYSA-N -1 1 396.392 2.988 20 5 GFBDMM Cc1cc(C)cc(-c2nnc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])o2)c1 ZINC000822196303 607164924 /nfs/dbraw/zinc/16/49/24/607164924.db2.gz DGILELDGPSIEEP-UHFFFAOYSA-N -1 1 396.392 2.988 20 5 GFBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830918774 660686322 /nfs/dbraw/zinc/68/63/22/660686322.db2.gz LCCLFOUTGOTBTJ-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831597145 660714352 /nfs/dbraw/zinc/71/43/52/660714352.db2.gz GHESFJVQEJMPOG-CYBMUJFWSA-N -1 1 397.280 2.977 20 5 GFBDMM C[C@@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000831713601 660721490 /nfs/dbraw/zinc/72/14/90/660721490.db2.gz UUHOWDRHZGOLQB-JTQLQIEISA-N -1 1 393.487 2.628 20 5 GFBDMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 ZINC000040998411 654621726 /nfs/dbraw/zinc/62/17/26/654621726.db2.gz UFJMZCFPSNJWAB-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000135011862 655007520 /nfs/dbraw/zinc/00/75/20/655007520.db2.gz VZAZVYPNKKHLQV-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM CCc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000102413191 655054848 /nfs/dbraw/zinc/05/48/48/655054848.db2.gz JQTDYLYUEZODQC-UHFFFAOYSA-N -1 1 375.859 2.788 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000112090535 655182164 /nfs/dbraw/zinc/18/21/64/655182164.db2.gz ZFLAGCZMDLQSIE-SNVBAGLBSA-N -1 1 383.813 2.554 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000116711857 655251973 /nfs/dbraw/zinc/25/19/73/655251973.db2.gz CHWVAQIKSVNENY-DEOSSOPVSA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000119320209 655298703 /nfs/dbraw/zinc/29/87/03/655298703.db2.gz CRSSJFKUFWQXMK-VFZGTOFNSA-N -1 1 388.804 2.788 20 5 GFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnn2cc(Br)cnc12 ZINC000180435108 655326589 /nfs/dbraw/zinc/32/65/89/655326589.db2.gz PBXRIBDHTUANOR-UHFFFAOYSA-N -1 1 398.123 2.931 20 5 GFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000578277486 655475717 /nfs/dbraw/zinc/47/57/17/655475717.db2.gz AQRQEUFEJMFKRO-UHFFFAOYSA-N -1 1 375.328 2.993 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)c1 ZINC000725826434 655527188 /nfs/dbraw/zinc/52/71/88/655527188.db2.gz SHLPYNOJNCTFTQ-UHFFFAOYSA-N -1 1 386.813 2.744 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1Cl ZINC000751440870 655827624 /nfs/dbraw/zinc/82/76/24/655827624.db2.gz IWDWOHWYWBFWTC-NSHDSACASA-N -1 1 392.767 2.538 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000753378509 655853364 /nfs/dbraw/zinc/85/33/64/655853364.db2.gz UGWNUUVHAAIKJT-GFCCVEGCSA-N -1 1 378.834 2.504 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000755967525 655892000 /nfs/dbraw/zinc/89/20/00/655892000.db2.gz NCMHPYOYPFIVBI-CCGUKBGLSA-N -1 1 386.426 2.511 20 5 GFBDMM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000756973647 655908069 /nfs/dbraw/zinc/90/80/69/655908069.db2.gz UJKDVVKYXSEEAK-AWEZNQCLSA-N -1 1 381.841 2.713 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762529097 656046668 /nfs/dbraw/zinc/04/66/68/656046668.db2.gz ZXBFWUUFGLHYAC-CDMKHQONSA-N -1 1 394.927 2.906 20 5 GFBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000766565872 656176426 /nfs/dbraw/zinc/17/64/26/656176426.db2.gz QDWTZZDLACVDSI-ZCFIWIBFSA-N -1 1 391.165 2.977 20 5 GFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](O)c1c(Cl)cccc1Cl ZINC000777532797 656827705 /nfs/dbraw/zinc/82/77/05/656827705.db2.gz LJOALBGCRAXGEB-CPFSXVBKSA-N -1 1 386.191 2.854 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c([N+](=O)[O-])c1 ZINC000786885930 657480437 /nfs/dbraw/zinc/48/04/37/657480437.db2.gz FJPVRODJKCXBKD-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795821758 658854478 /nfs/dbraw/zinc/85/44/78/658854478.db2.gz CWWGSPXYWYRVDG-XCBNKYQSSA-N -1 1 381.223 2.963 20 5 GFBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795821762 658854743 /nfs/dbraw/zinc/85/47/43/658854743.db2.gz CWWGSPXYWYRVDG-XVKPBYJWSA-N -1 1 381.223 2.963 20 5 GFBDMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC1CCCCC1 ZINC000800969641 659360531 /nfs/dbraw/zinc/36/05/31/659360531.db2.gz LWQYZCDVEYZWQT-UHFFFAOYSA-N -1 1 390.845 2.793 20 5 GFBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000812516972 660028999 /nfs/dbraw/zinc/02/89/99/660028999.db2.gz ZXOIGDPIRBXYEJ-ZDUSSCGKSA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000813720603 660061957 /nfs/dbraw/zinc/06/19/57/660061957.db2.gz HWOJFTWAHOZMJP-AWEZNQCLSA-N -1 1 376.862 2.714 20 5 GFBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815032824 660104620 /nfs/dbraw/zinc/10/46/20/660104620.db2.gz NDJQPUKSTKFVGW-UWVGGRQHSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1Cc2cccc(O)c2C1 ZINC000815038636 660105683 /nfs/dbraw/zinc/10/56/83/660105683.db2.gz LLLGIXGPODRGKY-SECBINFHSA-N -1 1 386.788 2.539 20 5 GFBDMM COC1CC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000849412435 661718957 /nfs/dbraw/zinc/71/89/57/661718957.db2.gz NWWSBCGRLSESLE-UHFFFAOYSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])O1 ZINC000849460414 661729838 /nfs/dbraw/zinc/72/98/38/661729838.db2.gz JVJYTOSUIABFER-KOLCDFICSA-N -1 1 393.259 2.593 20 5 GFBDMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000022195059 207247915 /nfs/dbraw/zinc/24/79/15/207247915.db2.gz LFLDKKKQZCZIRO-LBPRGKRZSA-N -1 1 384.845 2.917 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000119500192 551216638 /nfs/dbraw/zinc/21/66/38/551216638.db2.gz CXEKHQNGAXMEHJ-LBPRGKRZSA-N -1 1 389.886 2.891 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000153796783 551461231 /nfs/dbraw/zinc/46/12/31/551461231.db2.gz BLSZXIRZCLBZNV-NSHDSACASA-N -1 1 376.843 2.976 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000185902740 552373834 /nfs/dbraw/zinc/37/38/34/552373834.db2.gz QFSMKXXCSHKNPR-UHFFFAOYSA-N -1 1 386.191 2.637 20 5 GFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000191796836 552538367 /nfs/dbraw/zinc/53/83/67/552538367.db2.gz ZCWLKNZJMOIKNB-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295806898 563263351 /nfs/dbraw/zinc/26/33/51/563263351.db2.gz BJVRIOKJYXLZFH-UHFFFAOYSA-N -1 1 393.252 2.844 20 5 GFBDMM CCOCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285235500 563510351 /nfs/dbraw/zinc/51/03/51/563510351.db2.gz QTUMVLGSVWMDRU-UHFFFAOYSA-N -1 1 399.238 2.591 20 5 GFBDMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cccc21 ZINC000432497713 563585420 /nfs/dbraw/zinc/58/54/20/563585420.db2.gz ZKPPGKXEZVJVRM-GFCCVEGCSA-N -1 1 383.451 2.842 20 5 GFBDMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cccc21 ZINC000432497714 563585743 /nfs/dbraw/zinc/58/57/43/563585743.db2.gz ZKPPGKXEZVJVRM-LBPRGKRZSA-N -1 1 383.451 2.842 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)cc1Cl ZINC000367706066 563852876 /nfs/dbraw/zinc/85/28/76/563852876.db2.gz NFPUYUQFMGMBIU-UHFFFAOYSA-N -1 1 378.809 2.625 20 5 GFBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507563025 564232888 /nfs/dbraw/zinc/23/28/88/564232888.db2.gz GNYOUVYNMNENBA-UHFFFAOYSA-N -1 1 381.841 2.973 20 5 GFBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000567805809 564390168 /nfs/dbraw/zinc/39/01/68/564390168.db2.gz CJKVCQMYUHMMJU-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481876971 564526705 /nfs/dbraw/zinc/52/67/05/564526705.db2.gz VNHUXTHXPBNCGU-UHFFFAOYSA-N -1 1 384.797 2.993 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000484555140 564591122 /nfs/dbraw/zinc/59/11/22/564591122.db2.gz QPBQRFNIWWDXIK-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000486650349 564661364 /nfs/dbraw/zinc/66/13/64/564661364.db2.gz XZKNNSUPNJRJBT-RKDXNWHRSA-N -1 1 387.849 2.919 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c2ncccc12 ZINC000580620752 564767051 /nfs/dbraw/zinc/76/70/51/564767051.db2.gz LDHQSHQVWIAAEB-ZDUSSCGKSA-N -1 1 375.328 2.762 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)ccc1[O-] ZINC000460832525 564782174 /nfs/dbraw/zinc/78/21/74/564782174.db2.gz CFPHEAITBNKMFQ-UHFFFAOYSA-N -1 1 378.284 2.842 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000462132362 564821951 /nfs/dbraw/zinc/82/19/51/564821951.db2.gz QEVRQJKFKGYNGM-NSHDSACASA-N -1 1 385.442 2.600 20 5 GFBDMM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533175521 564956997 /nfs/dbraw/zinc/95/69/97/564956997.db2.gz BUDCLCPNKDPCOG-LBPRGKRZSA-N -1 1 384.483 2.660 20 5 GFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000468540351 564985805 /nfs/dbraw/zinc/98/58/05/564985805.db2.gz AYYKEIMVJMSSBN-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000618180370 565277442 /nfs/dbraw/zinc/27/74/42/565277442.db2.gz YLPISSBZTQOKFW-GFCCVEGCSA-N -1 1 382.825 2.790 20 5 GFBDMM CC(C)(C)OC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000595418465 565476453 /nfs/dbraw/zinc/47/64/53/565476453.db2.gz RBYKAWUZICLORV-NSHDSACASA-N -1 1 390.483 2.693 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000599379226 565674615 /nfs/dbraw/zinc/67/46/15/565674615.db2.gz FHAQTSPCWWQCLB-ZDUSSCGKSA-N -1 1 382.825 2.668 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(Cl)c1 ZINC000608908920 566026487 /nfs/dbraw/zinc/02/64/87/566026487.db2.gz BOUKPKSMUODVBJ-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000609030546 566029061 /nfs/dbraw/zinc/02/90/61/566029061.db2.gz WYYAPEKIQPRLTD-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822540991 607356544 /nfs/dbraw/zinc/35/65/44/607356544.db2.gz JRRFMTWENOVDFR-UHFFFAOYSA-N -1 1 398.310 2.825 20 5 GFBDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822540991 607356545 /nfs/dbraw/zinc/35/65/45/607356545.db2.gz JRRFMTWENOVDFR-UHFFFAOYSA-N -1 1 398.310 2.825 20 5 GFBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826499708 607554662 /nfs/dbraw/zinc/55/46/62/607554662.db2.gz TZRXHCCVIJWCGP-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826499708 607554663 /nfs/dbraw/zinc/55/46/63/607554663.db2.gz TZRXHCCVIJWCGP-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM Cc1cc(N2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891007 602317142 /nfs/dbraw/zinc/31/71/42/602317142.db2.gz HMXUUVXVAZSJFB-BEFAXECRSA-N -1 1 399.447 2.846 20 5 GFBDMM Cc1cc(N2CCO[C@H](c3n[nH]c(C(C)(C)C)n3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832892080 602324272 /nfs/dbraw/zinc/32/42/72/602324272.db2.gz XEJSCLLWKCIIFK-ZDUSSCGKSA-N -1 1 389.412 2.595 20 5 GFBDMM Cc1cc(N2CCO[C@H](c3nnc(C(C)(C)C)[nH]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832892080 602324275 /nfs/dbraw/zinc/32/42/75/602324275.db2.gz XEJSCLLWKCIIFK-ZDUSSCGKSA-N -1 1 389.412 2.595 20 5 GFBDMM Cn1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949252 605615493 /nfs/dbraw/zinc/61/54/93/605615493.db2.gz PPNNHTRZAYZNQR-WBVHZDCISA-N -1 1 385.424 2.712 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000823620625 606701901 /nfs/dbraw/zinc/70/19/01/606701901.db2.gz NHDPYGPBDLEMFX-XJKSGUPXSA-N -1 1 381.396 2.750 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000823620625 606701903 /nfs/dbraw/zinc/70/19/03/606701903.db2.gz NHDPYGPBDLEMFX-XJKSGUPXSA-N -1 1 381.396 2.750 20 5 GFBDMM CC(C)(C)c1ccccc1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819957723 606709273 /nfs/dbraw/zinc/70/92/73/606709273.db2.gz CRJSRTKYPVYPGF-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM CC(C)(C)c1ccccc1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819957723 606709274 /nfs/dbraw/zinc/70/92/74/606709274.db2.gz CRJSRTKYPVYPGF-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM CC(C)(C)c1ccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819959000 606710369 /nfs/dbraw/zinc/71/03/69/606710369.db2.gz TYUGTFCZZXDSAO-CQSZACIVSA-N -1 1 383.412 2.613 20 5 GFBDMM CC(C)(C)c1ccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819959000 606710370 /nfs/dbraw/zinc/71/03/70/606710370.db2.gz TYUGTFCZZXDSAO-CQSZACIVSA-N -1 1 383.412 2.613 20 5 GFBDMM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000822210731 606712449 /nfs/dbraw/zinc/71/24/49/606712449.db2.gz OYZMDYTXANYZMK-UHFFFAOYSA-N -1 1 397.395 2.780 20 5 GFBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000822210731 606712450 /nfs/dbraw/zinc/71/24/50/606712450.db2.gz OYZMDYTXANYZMK-UHFFFAOYSA-N -1 1 397.395 2.780 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826291488 608101326 /nfs/dbraw/zinc/10/13/26/608101326.db2.gz IXDIKBOAOSDATJ-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000828381211 660545709 /nfs/dbraw/zinc/54/57/09/660545709.db2.gz MBJIOCHVEGLWTG-MUWHJKNJSA-N -1 1 399.263 2.669 20 5 GFBDMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830663288 660670033 /nfs/dbraw/zinc/67/00/33/660670033.db2.gz DQPDPRIHBZWYFL-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1Cl ZINC000830667779 660670862 /nfs/dbraw/zinc/67/08/62/660670862.db2.gz IEHPKGYMSSIGQO-BDAKNGLRSA-N -1 1 383.253 2.731 20 5 GFBDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830746272 660677593 /nfs/dbraw/zinc/67/75/93/660677593.db2.gz YDDMAIXLTLULTM-VIFPVBQESA-N -1 1 385.269 2.979 20 5 GFBDMM CC(C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000831834834 660730681 /nfs/dbraw/zinc/73/06/81/660730681.db2.gz LHFQWEQTXOIZHG-UHFFFAOYSA-N -1 1 394.240 2.622 20 5 GFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000127959197 654838333 /nfs/dbraw/zinc/83/83/33/654838333.db2.gz AANDVCJXKIBPMY-UHFFFAOYSA-N -1 1 377.260 2.934 20 5 GFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000174665598 655205740 /nfs/dbraw/zinc/20/57/40/655205740.db2.gz VDHYPRIPIXFDHU-UHFFFAOYSA-N -1 1 390.190 2.879 20 5 GFBDMM COc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725819220 655526625 /nfs/dbraw/zinc/52/66/25/655526625.db2.gz HUQJBWRWJTWPTO-UHFFFAOYSA-N -1 1 386.813 2.614 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751488854 655829864 /nfs/dbraw/zinc/82/98/64/655829864.db2.gz WUPZJHATVAESRG-YMTOWFKASA-N -1 1 388.804 2.788 20 5 GFBDMM COc1ccc(CC(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000783901774 657269642 /nfs/dbraw/zinc/26/96/42/657269642.db2.gz VMIBJDWJZCMJRT-UHFFFAOYSA-N -1 1 382.170 2.648 20 5 GFBDMM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1 ZINC000786978191 657499496 /nfs/dbraw/zinc/49/94/96/657499496.db2.gz JIUGKLGBLMVYRL-UHFFFAOYSA-N -1 1 379.822 2.885 20 5 GFBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000788504803 657732505 /nfs/dbraw/zinc/73/25/05/657732505.db2.gz HRBVMAKNLGZEGL-SSDOTTSWSA-N -1 1 384.801 2.877 20 5 GFBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000788504803 657732526 /nfs/dbraw/zinc/73/25/26/657732526.db2.gz HRBVMAKNLGZEGL-SSDOTTSWSA-N -1 1 384.801 2.877 20 5 GFBDMM CCN(C(=O)OC(C)(C)C)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000795250713 658761258 /nfs/dbraw/zinc/76/12/58/658761258.db2.gz GNPBHGLMRPCWTG-SNVBAGLBSA-N -1 1 393.487 2.580 20 5 GFBDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819158 659942426 /nfs/dbraw/zinc/94/24/26/659942426.db2.gz NZBXMKXWMJQDBV-AMIZOPFISA-N -1 1 385.269 2.977 20 5 GFBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823060 659943754 /nfs/dbraw/zinc/94/37/54/659943754.db2.gz XNCGUHLINSTJIV-UHFFFAOYSA-N -1 1 382.841 2.854 20 5 GFBDMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809829995 659946001 /nfs/dbraw/zinc/94/60/01/659946001.db2.gz PVLDILHVYRANPX-TVQRCGJNSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c(Cl)cc1Cl ZINC000809841678 659948146 /nfs/dbraw/zinc/94/81/46/659948146.db2.gz SATUAOCADCZUHS-VIFPVBQESA-N -1 1 383.253 2.731 20 5 GFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1O ZINC000815015238 660101715 /nfs/dbraw/zinc/10/17/15/660101715.db2.gz HVVXZQVAURNPCP-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815028406 660103948 /nfs/dbraw/zinc/10/39/48/660103948.db2.gz ADQQCVSMNMTXEH-UHFFFAOYSA-N -1 1 380.825 2.749 20 5 GFBDMM CSc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])ccn1 ZINC000815028413 660103997 /nfs/dbraw/zinc/10/39/97/660103997.db2.gz ALOPOFXVEJBDBL-UHFFFAOYSA-N -1 1 391.833 2.983 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(Cl)cc1Cl ZINC000841574555 661305860 /nfs/dbraw/zinc/30/58/60/661305860.db2.gz UPXUWCLMXCAVBC-RKDXNWHRSA-N -1 1 383.253 2.731 20 5 GFBDMM O=C([O-])[C@H]1CSCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901888891 663749396 /nfs/dbraw/zinc/74/93/96/663749396.db2.gz FOELEUFWQFYKFI-GFCCVEGCSA-N -1 1 379.463 2.968 20 5 GFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000156383736 551521654 /nfs/dbraw/zinc/52/16/54/551521654.db2.gz DEFQBLDVYZSUOM-SNVBAGLBSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000176582912 552141878 /nfs/dbraw/zinc/14/18/78/552141878.db2.gz WPYOPBDWSGJHFW-UHFFFAOYSA-N -1 1 384.845 2.814 20 5 GFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000438258925 563703487 /nfs/dbraw/zinc/70/34/87/563703487.db2.gz ZNUKQLJWHCSAJW-UHFFFAOYSA-N -1 1 389.231 2.752 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438458765 563705953 /nfs/dbraw/zinc/70/59/53/563705953.db2.gz LBJPHKFSQFPKSH-WCQYABFASA-N -1 1 378.182 2.744 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292038563 563771526 /nfs/dbraw/zinc/77/15/26/563771526.db2.gz ZBTRVBUXZYILOO-RFAUZJTJSA-N -1 1 386.426 2.776 20 5 GFBDMM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000416614598 563853571 /nfs/dbraw/zinc/85/35/71/563853571.db2.gz IMNASBFFSXBVNY-VIFPVBQESA-N -1 1 393.259 2.593 20 5 GFBDMM CCOC(=O)C(=C([O-])CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108937 563894278 /nfs/dbraw/zinc/89/42/78/563894278.db2.gz SBRNSQUWHMSMMC-ZDUSSCGKSA-N -1 1 381.435 2.763 20 5 GFBDMM O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000563810022 564207898 /nfs/dbraw/zinc/20/78/98/564207898.db2.gz AYVHWXIYMZQJAE-SCZZXKLOSA-N -1 1 397.236 2.823 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000472698159 564230632 /nfs/dbraw/zinc/23/06/32/564230632.db2.gz JFGQTBPOEGHLQW-LBPRGKRZSA-N -1 1 384.483 2.579 20 5 GFBDMM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479237508 564432675 /nfs/dbraw/zinc/43/26/75/564432675.db2.gz JHEAVPPALCFNEU-VIFPVBQESA-N -1 1 378.834 2.647 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000484774729 564597784 /nfs/dbraw/zinc/59/77/84/564597784.db2.gz HFTKZQNTSQRTRV-VIFPVBQESA-N -1 1 381.273 2.531 20 5 GFBDMM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766756 564720202 /nfs/dbraw/zinc/72/02/02/564720202.db2.gz XRWLZKSFBJKPPB-ONGXEEELSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000609030199 566028852 /nfs/dbraw/zinc/02/88/52/566028852.db2.gz MBMSZVFDCKYSLM-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000610055330 566062203 /nfs/dbraw/zinc/06/22/03/566062203.db2.gz CPSXBHUWDMWGBS-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000736448748 600254071 /nfs/dbraw/zinc/25/40/71/600254071.db2.gz QDMUSMOAIONTTA-UHFFFAOYSA-N -1 1 395.393 2.524 20 5 GFBDMM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000828671983 601480778 /nfs/dbraw/zinc/48/07/78/601480778.db2.gz JPTTUZPDZZENOH-GFCCVEGCSA-N -1 1 385.225 2.823 20 5 GFBDMM COc1cc(OC)cc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832058316 602169121 /nfs/dbraw/zinc/16/91/21/602169121.db2.gz YTKJXYLNVKCIIE-QGZVFWFLSA-N -1 1 376.365 2.536 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000469134026 602307663 /nfs/dbraw/zinc/30/76/63/602307663.db2.gz ZGGAWGPFISNVNC-UHFFFAOYSA-N -1 1 394.405 2.766 20 5 GFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740099676 602654592 /nfs/dbraw/zinc/65/45/92/602654592.db2.gz QNXLKLPOEZVADP-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000822427335 606311104 /nfs/dbraw/zinc/31/11/04/606311104.db2.gz JVSALZXCIRFKJT-UHFFFAOYSA-N -1 1 384.381 2.615 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1c[nH]c2ccc(Cl)cc12 ZINC000823625413 606714177 /nfs/dbraw/zinc/71/41/77/606714177.db2.gz UQJBSOHMDWZECT-UHFFFAOYSA-N -1 1 384.787 2.959 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1c[nH]c2ccc(Cl)cc12 ZINC000823625413 606714179 /nfs/dbraw/zinc/71/41/79/606714179.db2.gz UQJBSOHMDWZECT-UHFFFAOYSA-N -1 1 384.787 2.959 20 5 GFBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000828381210 660545728 /nfs/dbraw/zinc/54/57/28/660545728.db2.gz MBJIOCHVEGLWTG-IMTBSYHQSA-N -1 1 399.263 2.669 20 5 GFBDMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000829916075 660622300 /nfs/dbraw/zinc/62/23/00/660622300.db2.gz TVTMOOKTHXEAKZ-UHFFFAOYSA-N -1 1 385.320 2.739 20 5 GFBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830754959 660678190 /nfs/dbraw/zinc/67/81/90/660678190.db2.gz RTUOXBOJDITOLT-RKDXNWHRSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000125583249 654798810 /nfs/dbraw/zinc/79/88/10/654798810.db2.gz QZVKTHGKUVIZFA-UHFFFAOYSA-N -1 1 392.220 2.654 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)s1 ZINC000064242500 654864588 /nfs/dbraw/zinc/86/45/88/654864588.db2.gz VAFYPVHBOWEGPR-LBPRGKRZSA-N -1 1 385.467 2.755 20 5 GFBDMM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC000130027582 654879631 /nfs/dbraw/zinc/87/96/31/654879631.db2.gz UQOZMYCZNDXJJN-UHFFFAOYSA-N -1 1 380.813 2.911 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153662036 655069398 /nfs/dbraw/zinc/06/93/98/655069398.db2.gz LVLYYWYJGXTWCG-UHFFFAOYSA-N -1 1 383.382 2.929 20 5 GFBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1occc1Br ZINC000176134165 655236468 /nfs/dbraw/zinc/23/64/68/655236468.db2.gz TXAZQXQOYQTMAV-UHFFFAOYSA-N -1 1 378.142 2.988 20 5 GFBDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000116712109 655252254 /nfs/dbraw/zinc/25/22/54/655252254.db2.gz BPFUFUYTHJNRCW-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245679014 655428165 /nfs/dbraw/zinc/42/81/65/655428165.db2.gz OULONYPDRBDZQK-DOFRTFSJSA-N -1 1 393.259 2.592 20 5 GFBDMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725820646 655526877 /nfs/dbraw/zinc/52/68/77/655526877.db2.gz LIQSQZCDXDHYMJ-UHFFFAOYSA-N -1 1 378.834 2.650 20 5 GFBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000730816349 655578655 /nfs/dbraw/zinc/57/86/55/655578655.db2.gz ZRMHNYJWMQAJTK-UHFFFAOYSA-N -1 1 385.829 2.911 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000733317490 655611988 /nfs/dbraw/zinc/61/19/88/655611988.db2.gz PHURDVFVMYEKRI-HNNXBMFYSA-N -1 1 382.825 2.841 20 5 GFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000747596634 655780316 /nfs/dbraw/zinc/78/03/16/655780316.db2.gz QCTHBVAACIYPCF-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000761889724 656023569 /nfs/dbraw/zinc/02/35/69/656023569.db2.gz PCEUVBABJAYFCO-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM NC(=O)c1sccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000784153814 657292152 /nfs/dbraw/zinc/29/21/52/657292152.db2.gz YDHWCPAGMLGMRE-UHFFFAOYSA-N -1 1 376.213 2.832 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)CCc1ccccc1 ZINC000784479456 657312651 /nfs/dbraw/zinc/31/26/51/657312651.db2.gz ZSZQVKPLTXSHTP-CQSZACIVSA-N -1 1 384.841 2.520 20 5 GFBDMM CCOC(=O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420484 658094543 /nfs/dbraw/zinc/09/45/43/658094543.db2.gz NRTPRTGKDMMSAN-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c(Cl)cc1Cl ZINC000791421862 658094891 /nfs/dbraw/zinc/09/48/91/658094891.db2.gz TYJVKCQIUSEROJ-LBPRGKRZSA-N -1 1 391.232 2.914 20 5 GFBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795846012 658857743 /nfs/dbraw/zinc/85/77/43/658857743.db2.gz YMMYUPYROZTBHT-LURJTMIESA-N -1 1 387.252 2.526 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000795971386 658878277 /nfs/dbraw/zinc/87/82/77/658878277.db2.gz KYPPAFDBDPHFLR-OIBJUYFYSA-N -1 1 379.207 2.573 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000809820283 659942714 /nfs/dbraw/zinc/94/27/14/659942714.db2.gz SYVLXMZPPVGLPT-GFCCVEGCSA-N -1 1 392.767 2.538 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000809822241 659943319 /nfs/dbraw/zinc/94/33/19/659943319.db2.gz FCOHCOPGLUZPCS-GFCCVEGCSA-N -1 1 380.825 2.871 20 5 GFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000809822692 659943800 /nfs/dbraw/zinc/94/38/00/659943800.db2.gz SBGXFEPCAVKYDL-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000809827223 659945011 /nfs/dbraw/zinc/94/50/11/659945011.db2.gz HMHSPLKAKSULLB-HZMBPMFUSA-N -1 1 394.852 2.997 20 5 GFBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1 ZINC000809829512 659945563 /nfs/dbraw/zinc/94/55/63/659945563.db2.gz CNCCTHCSXQEQPV-SSDOTTSWSA-N -1 1 391.812 2.668 20 5 GFBDMM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000809829512 659945564 /nfs/dbraw/zinc/94/55/64/659945564.db2.gz CNCCTHCSXQEQPV-SSDOTTSWSA-N -1 1 391.812 2.668 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000809831330 659946299 /nfs/dbraw/zinc/94/62/99/659946299.db2.gz CNADWJNTRQOUIV-LSDHHAIUSA-N -1 1 392.836 2.871 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC000809831533 659946457 /nfs/dbraw/zinc/94/64/57/659946457.db2.gz ALWTWWDKKHEOMN-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)c1ccccc1 ZINC000809847005 659949043 /nfs/dbraw/zinc/94/90/43/659949043.db2.gz NMLOKKJYOJOVGQ-VFZGTOFNSA-N -1 1 388.804 2.788 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000813720604 660061961 /nfs/dbraw/zinc/06/19/61/660061961.db2.gz HWOJFTWAHOZMJP-CQSZACIVSA-N -1 1 376.862 2.714 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOCC(F)(F)F ZINC000814986188 660100057 /nfs/dbraw/zinc/10/00/57/660100057.db2.gz JPPMVFHJLSGWOS-UHFFFAOYSA-N -1 1 394.730 2.635 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000815019651 660102548 /nfs/dbraw/zinc/10/25/48/660102548.db2.gz LWNVRIDTCSPFMD-JTQLQIEISA-N -1 1 394.833 2.851 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000815027834 660103739 /nfs/dbraw/zinc/10/37/39/660103739.db2.gz LIFUHXDLMSYTBM-HZMBPMFUSA-N -1 1 394.852 2.997 20 5 GFBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029487 660104254 /nfs/dbraw/zinc/10/42/54/660104254.db2.gz VEEHCAATDYVJOF-RNCFNFMXSA-N -1 1 380.825 2.869 20 5 GFBDMM CCC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045051 660106724 /nfs/dbraw/zinc/10/67/24/660106724.db2.gz MWALSBSQGDYHMP-JTQLQIEISA-N -1 1 379.841 2.540 20 5 GFBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000817146762 660183463 /nfs/dbraw/zinc/18/34/63/660183463.db2.gz UPRHJARGMOREPS-QWRGUYRKSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC2CCSCC2)cc1Cl ZINC000908453078 664107694 /nfs/dbraw/zinc/10/76/94/664107694.db2.gz XHZVDLFHQCDEFZ-UHFFFAOYSA-N -1 1 398.865 2.578 20 5 GFBDMM COc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000064938398 551185058 /nfs/dbraw/zinc/18/50/58/551185058.db2.gz JDEGTAHISLUCMK-UHFFFAOYSA-N -1 1 386.451 2.585 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ncc(Cl)cc2Cl)s1 ZINC000124813335 551318077 /nfs/dbraw/zinc/31/80/77/551318077.db2.gz IQPDGGOAMWGONW-UHFFFAOYSA-N -1 1 397.265 2.749 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000177734076 552158411 /nfs/dbraw/zinc/15/84/11/552158411.db2.gz YACPHCGYDHNXLA-ZDUSSCGKSA-N -1 1 384.841 2.693 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186107641 552379300 /nfs/dbraw/zinc/37/93/00/552379300.db2.gz PNTCWZLBAWJOKP-UHFFFAOYSA-N -1 1 382.764 2.892 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000187135033 552406953 /nfs/dbraw/zinc/40/69/53/552406953.db2.gz XATMLEARYZEPLI-SNVBAGLBSA-N -1 1 375.403 2.629 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)s1 ZINC000195019949 553036368 /nfs/dbraw/zinc/03/63/68/553036368.db2.gz PADQJNQPDLDMPM-UHFFFAOYSA-N -1 1 377.241 2.897 20 5 GFBDMM O=C(N[C@H]1CCc2c1cccc2Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303152635 563432747 /nfs/dbraw/zinc/43/27/47/563432747.db2.gz GGAWJAVRBUFWJH-ZDUSSCGKSA-N -1 1 378.182 2.875 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000367272392 563838399 /nfs/dbraw/zinc/83/83/99/563838399.db2.gz ZXTVELBXMGUCBR-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000416551088 563846910 /nfs/dbraw/zinc/84/69/10/563846910.db2.gz SFULBGUNDPJPGH-NSHDSACASA-N -1 1 382.825 2.703 20 5 GFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471975102 564209136 /nfs/dbraw/zinc/20/91/36/564209136.db2.gz BFBTXUZZERRIFR-UHFFFAOYSA-N -1 1 376.749 2.908 20 5 GFBDMM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894589 564259450 /nfs/dbraw/zinc/25/94/50/564259450.db2.gz ATOLWKVKAQDPKP-QMTHXVAHSA-N -1 1 385.829 2.698 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451667947 564338547 /nfs/dbraw/zinc/33/85/47/564338547.db2.gz ZOCOSNKHWWRLRX-CYBMUJFWSA-N -1 1 384.841 2.784 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(Br)cc2C1 ZINC000510785287 564346682 /nfs/dbraw/zinc/34/66/82/564346682.db2.gz ZWGLPSNIUOKYIZ-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM C[C@@H]([C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000569506325 564467109 /nfs/dbraw/zinc/46/71/09/564467109.db2.gz JZBUOQOPGBEUAS-KBUNVGBDSA-N -1 1 397.236 2.679 20 5 GFBDMM O=C(Nc1cc(N2CCOCC2)ccc1Br)c1ccc([N+](=O)[O-])[n-]1 ZINC000456313783 564600544 /nfs/dbraw/zinc/60/05/44/564600544.db2.gz UWHOIUKJVDKQIL-UHFFFAOYSA-N -1 1 395.213 2.774 20 5 GFBDMM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307554 564697976 /nfs/dbraw/zinc/69/79/76/564697976.db2.gz VWMCLNHSPSYPNT-SECBINFHSA-N -1 1 382.269 2.522 20 5 GFBDMM O=C(NCC1(c2ccccc2Br)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000525485337 564702903 /nfs/dbraw/zinc/70/29/03/564702903.db2.gz DBGAPMWPMYTCSB-UHFFFAOYSA-N -1 1 392.209 2.920 20 5 GFBDMM CCCCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489001476 564726561 /nfs/dbraw/zinc/72/65/61/564726561.db2.gz IMFLBHXYDRNAHN-UHFFFAOYSA-N -1 1 395.275 2.842 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Br ZINC000579665865 564751397 /nfs/dbraw/zinc/75/13/97/564751397.db2.gz LSTLLWYRPDUJIS-CMPLNLGQSA-N -1 1 398.238 2.587 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456499 565013866 /nfs/dbraw/zinc/01/38/66/565013866.db2.gz WHHUBNMKDXMNII-NHYWBVRUSA-N -1 1 390.845 2.648 20 5 GFBDMM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000591743554 565237632 /nfs/dbraw/zinc/23/76/32/565237632.db2.gz DNYKHFTYJMWYKW-WRWORJQWSA-N -1 1 399.252 2.925 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592099640 565255401 /nfs/dbraw/zinc/25/54/01/565255401.db2.gz RXZGVZIHQGFMAO-OAHLLOKOSA-N -1 1 388.873 2.880 20 5 GFBDMM O=C(NCCCc1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618375002 565298423 /nfs/dbraw/zinc/29/84/23/565298423.db2.gz SIUGCWCAACCWLO-UHFFFAOYSA-N -1 1 380.198 2.821 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000610269333 566074480 /nfs/dbraw/zinc/07/44/80/566074480.db2.gz VIBLLFUNMSXTME-VIFPVBQESA-N -1 1 390.204 2.709 20 5 GFBDMM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(I)ccc1[O-] ZINC000611529027 566135273 /nfs/dbraw/zinc/13/52/73/566135273.db2.gz BJYHWAATDABBPP-UHFFFAOYSA-N -1 1 399.144 2.740 20 5 GFBDMM Cc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)o2)cc1 ZINC000822215014 599397646 /nfs/dbraw/zinc/39/76/46/599397646.db2.gz ISDOLKYLPLRBRK-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM O=C([O-])N1CCC(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)CC1 ZINC000740498988 601935485 /nfs/dbraw/zinc/93/54/85/601935485.db2.gz BPWRAKRQAVSMJA-UHFFFAOYSA-N -1 1 377.397 2.568 20 5 GFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739062518 602536684 /nfs/dbraw/zinc/53/66/84/602536684.db2.gz GTOOZPXMUHRUFV-RYUDHWBXSA-N -1 1 375.385 2.638 20 5 GFBDMM CC(C)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000824352768 607578147 /nfs/dbraw/zinc/57/81/47/607578147.db2.gz MQJYYBHPYZZUKF-UHFFFAOYSA-N -1 1 389.393 2.666 20 5 GFBDMM O=C([O-])N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000740526133 603064682 /nfs/dbraw/zinc/06/46/82/603064682.db2.gz JKBUKKCOAFPUKE-UHFFFAOYSA-N -1 1 387.396 2.610 20 5 GFBDMM Cc1cccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826304157 607672524 /nfs/dbraw/zinc/67/25/24/607672524.db2.gz YYLDVKPUDMKZNR-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000834177080 605439242 /nfs/dbraw/zinc/43/92/42/605439242.db2.gz APLXFWHZOJYLTI-NWANDNLSSA-N -1 1 387.396 2.513 20 5 GFBDMM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)c1C ZINC000822309144 606644782 /nfs/dbraw/zinc/64/47/82/606644782.db2.gz NIQRPSRKNKGOIG-UHFFFAOYSA-N -1 1 379.424 2.718 20 5 GFBDMM COc1cc(C)c([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821707577 606698208 /nfs/dbraw/zinc/69/82/08/606698208.db2.gz BEJONFLHGYOMBH-SNVBAGLBSA-N -1 1 385.384 2.669 20 5 GFBDMM COc1cc(C)c([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821707577 606698210 /nfs/dbraw/zinc/69/82/10/606698210.db2.gz BEJONFLHGYOMBH-SNVBAGLBSA-N -1 1 385.384 2.669 20 5 GFBDMM CCOc1cc2c(cc1CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000821400976 607164364 /nfs/dbraw/zinc/16/43/64/607164364.db2.gz RGBHMZVPUSOGPE-SNVBAGLBSA-N -1 1 397.395 2.504 20 5 GFBDMM CCOc1cc2c(cc1CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000821400976 607164366 /nfs/dbraw/zinc/16/43/66/607164366.db2.gz RGBHMZVPUSOGPE-SNVBAGLBSA-N -1 1 397.395 2.504 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC(F)(F)F)cc1 ZINC000823624983 607166507 /nfs/dbraw/zinc/16/65/07/607166507.db2.gz NKQOCNLTKSUJOQ-UHFFFAOYSA-N -1 1 381.274 2.681 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OC(F)(F)F)cc1 ZINC000823624983 607166508 /nfs/dbraw/zinc/16/65/08/607166508.db2.gz NKQOCNLTKSUJOQ-UHFFFAOYSA-N -1 1 381.274 2.681 20 5 GFBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000828381198 660545696 /nfs/dbraw/zinc/54/56/96/660545696.db2.gz MBJIOCHVEGLWTG-HZGVNTEJSA-N -1 1 399.263 2.669 20 5 GFBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633565 660668173 /nfs/dbraw/zinc/66/81/73/660668173.db2.gz SHKZTKMXCMEJSI-SDBXPKJASA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c1Cl ZINC000831596690 660714212 /nfs/dbraw/zinc/71/42/12/660714212.db2.gz AMNPYWVWDALBGC-SNVBAGLBSA-N -1 1 383.253 2.731 20 5 GFBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1 ZINC000832559530 660786255 /nfs/dbraw/zinc/78/62/55/660786255.db2.gz HUCMXLHYOXVUFX-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)nc2)s1 ZINC000066000653 654892101 /nfs/dbraw/zinc/89/21/01/654892101.db2.gz VSLKLCOPZZLCPD-UHFFFAOYSA-N -1 1 382.467 2.520 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Br)n1 ZINC000135239979 655012436 /nfs/dbraw/zinc/01/24/36/655012436.db2.gz BFSOGWNELNMNTH-UHFFFAOYSA-N -1 1 378.229 2.923 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)n1 ZINC000120059985 655326332 /nfs/dbraw/zinc/32/63/32/655326332.db2.gz NUACSVYLMYIFGW-UHFFFAOYSA-N -1 1 378.229 2.923 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000736418294 655663318 /nfs/dbraw/zinc/66/33/18/655663318.db2.gz DKPQIIJXHSIXTM-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC000747275343 655775818 /nfs/dbraw/zinc/77/58/18/655775818.db2.gz MYVVKHRUYLSKNK-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)c[n-]1 ZINC000747275343 655775819 /nfs/dbraw/zinc/77/58/19/655775819.db2.gz MYVVKHRUYLSKNK-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751438466 655827334 /nfs/dbraw/zinc/82/73/34/655827334.db2.gz WLGRRZYEAJQRMH-SNVBAGLBSA-N -1 1 376.843 2.712 20 5 GFBDMM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000751451442 655828241 /nfs/dbraw/zinc/82/82/41/655828241.db2.gz TWLKIYVMEDAHGG-OAHLLOKOSA-N -1 1 388.829 2.644 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1c(F)cccc1F ZINC000751466568 655828643 /nfs/dbraw/zinc/82/86/43/655828643.db2.gz NBSCSNQUFZETAO-YGRLFVJLSA-N -1 1 392.405 2.725 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000767585688 656210302 /nfs/dbraw/zinc/21/03/02/656210302.db2.gz LFQIQNPKOMMNQA-ZDUSSCGKSA-N -1 1 382.825 2.790 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775725219 656674154 /nfs/dbraw/zinc/67/41/54/656674154.db2.gz QRVWFXDWMBFYBB-XHDPSFHLSA-N -1 1 390.845 2.648 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777972738 656848247 /nfs/dbraw/zinc/84/82/47/656848247.db2.gz XLQBBGGLBKRTFK-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H](O)C(F)(F)F ZINC000779918496 656964874 /nfs/dbraw/zinc/96/48/74/656964874.db2.gz URHFZUNJJDPZIR-CPCISQLKSA-N -1 1 390.767 2.537 20 5 GFBDMM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000780865358 657033674 /nfs/dbraw/zinc/03/36/74/657033674.db2.gz INBYVIFWYLNVOR-SECBINFHSA-N -1 1 382.269 2.664 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000795876375 658865444 /nfs/dbraw/zinc/86/54/44/658865444.db2.gz GUVSXRCDCLSRKC-ZETCQYMHSA-N -1 1 399.263 2.670 20 5 GFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000799528683 659197189 /nfs/dbraw/zinc/19/71/89/659197189.db2.gz FSMFHJKWOYDPSW-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ccccc2OC1 ZINC000800952277 659357890 /nfs/dbraw/zinc/35/78/90/659357890.db2.gz IGFOZNQSMJUMCL-ZDUSSCGKSA-N -1 1 382.825 2.920 20 5 GFBDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803290158 659567597 /nfs/dbraw/zinc/56/75/97/659567597.db2.gz XRSWMJVQUOIYJI-UHFFFAOYSA-N -1 1 392.361 2.663 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000805142342 659750088 /nfs/dbraw/zinc/75/00/88/659750088.db2.gz RPNXSKAABDLXQO-SNVBAGLBSA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1Br ZINC000805143408 659750836 /nfs/dbraw/zinc/75/08/36/659750836.db2.gz JOYAUJINZMSJJI-SNVBAGLBSA-N -1 1 385.186 2.823 20 5 GFBDMM CCC(CC)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809821183 659943262 /nfs/dbraw/zinc/94/32/62/659943262.db2.gz OAYJVDUCHOLJFB-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000809831326 659946477 /nfs/dbraw/zinc/94/64/77/659946477.db2.gz CNADWJNTRQOUIV-CABCVRRESA-N -1 1 392.836 2.871 20 5 GFBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831852 659946670 /nfs/dbraw/zinc/94/66/70/659946670.db2.gz IJJPEYRGFKVQAR-JGVFFNPUSA-N -1 1 399.252 2.768 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)cc1Cl ZINC000809838922 659947563 /nfs/dbraw/zinc/94/75/63/659947563.db2.gz DXNHNSXIMPSSKT-UHFFFAOYSA-N -1 1 392.836 2.608 20 5 GFBDMM NC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000814215618 660074722 /nfs/dbraw/zinc/07/47/22/660074722.db2.gz QUYIZODGQCDECL-UHFFFAOYSA-N -1 1 388.764 2.679 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000815014761 660101496 /nfs/dbraw/zinc/10/14/96/660101496.db2.gz AIYZOAAUHNRZGC-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815028069 660103927 /nfs/dbraw/zinc/10/39/27/660103927.db2.gz POVTVXLOIMLYHJ-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815029488 660104207 /nfs/dbraw/zinc/10/42/07/660104207.db2.gz VEEHCAATDYVJOF-TVQRCGJNSA-N -1 1 380.825 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000815034109 660104894 /nfs/dbraw/zinc/10/48/94/660104894.db2.gz DIKNLKKCOFWOGG-RNCFNFMXSA-N -1 1 378.809 2.623 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000815047021 660106942 /nfs/dbraw/zinc/10/69/42/660106942.db2.gz KKXVRLLXHMUSRM-BJOHPYRUSA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815095215 660111713 /nfs/dbraw/zinc/11/17/13/660111713.db2.gz TWHMKHCRWNZIEB-OQPBUACISA-N -1 1 383.253 2.731 20 5 GFBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841560624 661301568 /nfs/dbraw/zinc/30/15/68/661301568.db2.gz ORSIHLTWVKLOIY-CLAHSXSESA-N -1 1 380.825 2.869 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(OC)OC ZINC000849406213 661716997 /nfs/dbraw/zinc/71/69/97/661716997.db2.gz YKHJFSFINUTFRJ-SECBINFHSA-N -1 1 387.241 2.577 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c1Cl ZINC000859251707 662147858 /nfs/dbraw/zinc/14/78/58/662147858.db2.gz CDQFGDFSPBWAAM-SECBINFHSA-N -1 1 383.253 2.997 20 5 GFBDMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000121218945 551230065 /nfs/dbraw/zinc/23/00/65/551230065.db2.gz FCLGWNPZGZKFNB-UHFFFAOYSA-N -1 1 390.204 2.801 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152262996 551429225 /nfs/dbraw/zinc/42/92/25/551429225.db2.gz BSEBUGAHKNSVMO-VIFPVBQESA-N -1 1 381.273 2.531 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000187046887 552405541 /nfs/dbraw/zinc/40/55/41/552405541.db2.gz FKSFMGMFPAQEQA-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000190373384 552494165 /nfs/dbraw/zinc/49/41/65/552494165.db2.gz JRBHXIBVPKMIBX-HNNXBMFYSA-N -1 1 376.862 2.858 20 5 GFBDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733055 563280440 /nfs/dbraw/zinc/28/04/40/563280440.db2.gz USFWOMGJWWPAOJ-WDEREUQCSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000412423604 563657083 /nfs/dbraw/zinc/65/70/83/563657083.db2.gz YFFCEUAYFHTWKV-UHFFFAOYSA-N -1 1 376.316 2.836 20 5 GFBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1cc(I)ccc1[O-] ZINC000436513232 563672527 /nfs/dbraw/zinc/67/25/27/563672527.db2.gz MCUMXVMUWQELSV-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000538282288 564186227 /nfs/dbraw/zinc/18/62/27/564186227.db2.gz AKWPYCSCEJNWDB-LLVKDONJSA-N -1 1 376.862 2.715 20 5 GFBDMM CC[C@@H](C)N[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434319 564332941 /nfs/dbraw/zinc/33/29/41/564332941.db2.gz CWKHBYAQMMXQPB-ZYHUDNBSSA-N -1 1 387.483 2.965 20 5 GFBDMM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512447 564375244 /nfs/dbraw/zinc/37/52/44/564375244.db2.gz UQIXJHOMAVVHGK-JSGCOSHPSA-N -1 1 381.479 2.598 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000544672667 564393251 /nfs/dbraw/zinc/39/32/51/564393251.db2.gz MPFFEDGPEVAXHP-STQMWFEESA-N -1 1 386.426 2.994 20 5 GFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000479341520 564436329 /nfs/dbraw/zinc/43/63/29/564436329.db2.gz HMIDVCUDSINNIF-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480738883 564485966 /nfs/dbraw/zinc/48/59/66/564485966.db2.gz IATFVTGYXVVYSS-JTQLQIEISA-N -1 1 378.834 2.647 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000521837443 564636818 /nfs/dbraw/zinc/63/68/18/564636818.db2.gz JLAWLPCFVVSQFU-AWEZNQCLSA-N -1 1 387.527 2.979 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000521837444 564636847 /nfs/dbraw/zinc/63/68/47/564636847.db2.gz JLAWLPCFVVSQFU-CQSZACIVSA-N -1 1 387.527 2.979 20 5 GFBDMM CCc1cnc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000462607686 564851998 /nfs/dbraw/zinc/85/19/98/564851998.db2.gz WCLWEXBZNBHMEN-UHFFFAOYSA-N -1 1 375.859 2.788 20 5 GFBDMM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462704121 564855526 /nfs/dbraw/zinc/85/55/26/564855526.db2.gz SPUAYBJDBJUHEB-CMPLNLGQSA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000498014436 564885481 /nfs/dbraw/zinc/88/54/81/564885481.db2.gz COPUOOSBKXXSJW-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000531006218 564899009 /nfs/dbraw/zinc/89/90/09/564899009.db2.gz ZCHZNLFILYRJAS-LBPRGKRZSA-N -1 1 385.829 2.779 20 5 GFBDMM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000535901930 565024440 /nfs/dbraw/zinc/02/44/40/565024440.db2.gz DBPYKONIEJUYDU-UHFFFAOYSA-N -1 1 385.829 2.563 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013345283 601317159 /nfs/dbraw/zinc/31/71/59/601317159.db2.gz ZSJBKEUQMYBECF-RUDMXATFSA-N -1 1 378.362 2.502 20 5 GFBDMM Cc1cc(N2CCN(C[C@@H](O)c3ccccc3)[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891010 602316924 /nfs/dbraw/zinc/31/69/24/602316924.db2.gz HMXUUVXVAZSJFB-HNAYVOBHSA-N -1 1 399.447 2.846 20 5 GFBDMM Cc1cc(N2CCO[C@@H](c3n[nH]c(C(C)(C)C)n3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832892079 602324164 /nfs/dbraw/zinc/32/41/64/602324164.db2.gz XEJSCLLWKCIIFK-CYBMUJFWSA-N -1 1 389.412 2.595 20 5 GFBDMM Cc1cc(N2CCO[C@@H](c3nnc(C(C)(C)C)[nH]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832892079 602324166 /nfs/dbraw/zinc/32/41/66/602324166.db2.gz XEJSCLLWKCIIFK-CYBMUJFWSA-N -1 1 389.412 2.595 20 5 GFBDMM CCN(Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000739444420 602653798 /nfs/dbraw/zinc/65/37/98/602653798.db2.gz JXIKSNAUJOPTFO-UHFFFAOYSA-N -1 1 379.394 2.896 20 5 GFBDMM CCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])ccc1OC ZINC000833661029 605328045 /nfs/dbraw/zinc/32/80/45/605328045.db2.gz YJBFILUYESALTF-UHFFFAOYSA-N -1 1 396.377 2.501 20 5 GFBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820556451 606195009 /nfs/dbraw/zinc/19/50/09/606195009.db2.gz TYNXVSNVRYFIAY-SECBINFHSA-N -1 1 386.393 2.600 20 5 GFBDMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596605 606704496 /nfs/dbraw/zinc/70/44/96/606704496.db2.gz PNWUCBDXDAAPEO-PBHICJAKSA-N -1 1 395.423 2.774 20 5 GFBDMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596605 606704498 /nfs/dbraw/zinc/70/44/98/606704498.db2.gz PNWUCBDXDAAPEO-PBHICJAKSA-N -1 1 395.423 2.774 20 5 GFBDMM Cc1cc(Br)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822162010 606709872 /nfs/dbraw/zinc/70/98/72/606709872.db2.gz WDZILRSFZAGAQU-UHFFFAOYSA-N -1 1 390.201 2.853 20 5 GFBDMM Cc1cc(Br)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822162010 606709874 /nfs/dbraw/zinc/70/98/74/606709874.db2.gz WDZILRSFZAGAQU-UHFFFAOYSA-N -1 1 390.201 2.853 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Br)cc1 ZINC000823625508 606711957 /nfs/dbraw/zinc/71/19/57/606711957.db2.gz XDRUOXRXAVTBJG-UHFFFAOYSA-N -1 1 390.201 2.587 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Br)cc1 ZINC000823625508 606711958 /nfs/dbraw/zinc/71/19/58/606711958.db2.gz XDRUOXRXAVTBJG-UHFFFAOYSA-N -1 1 390.201 2.587 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1 ZINC000822200796 606787189 /nfs/dbraw/zinc/78/71/89/606787189.db2.gz BDAYWXDUVKXNJI-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821679141 606881035 /nfs/dbraw/zinc/88/10/35/606881035.db2.gz XSODNMXPHRHXQK-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM CO[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821679141 606881037 /nfs/dbraw/zinc/88/10/37/606881037.db2.gz XSODNMXPHRHXQK-GFCCVEGCSA-N -1 1 375.776 2.623 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1Cl ZINC000830657958 660669419 /nfs/dbraw/zinc/66/94/19/660669419.db2.gz ISBDJSGLOOIWCP-KCJUWKMLSA-N -1 1 383.253 2.731 20 5 GFBDMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831090552 660694810 /nfs/dbraw/zinc/69/48/10/660694810.db2.gz DSTYIFXIGIRZQF-HTQZYQBOSA-N -1 1 399.252 2.768 20 5 GFBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831090554 660695059 /nfs/dbraw/zinc/69/50/59/660695059.db2.gz DSTYIFXIGIRZQF-SFYZADRCSA-N -1 1 399.252 2.768 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157918570 655103261 /nfs/dbraw/zinc/10/32/61/655103261.db2.gz PQRZZLXRZAYIDE-PWSUYJOCSA-N -1 1 393.259 2.593 20 5 GFBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257184 655379965 /nfs/dbraw/zinc/37/99/65/655379965.db2.gz YGHCLKDISROTFR-VXNVDRBHSA-N -1 1 381.273 2.530 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000755967526 655892145 /nfs/dbraw/zinc/89/21/45/655892145.db2.gz NCMHPYOYPFIVBI-JUZXBQNTSA-N -1 1 386.426 2.511 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000759800773 655963749 /nfs/dbraw/zinc/96/37/49/655963749.db2.gz CLRQWHXEXJYRGQ-ZDUSSCGKSA-N -1 1 392.861 2.893 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762524561 656045960 /nfs/dbraw/zinc/04/59/60/656045960.db2.gz HYLVFDLUGABQAK-ADEWGFFLSA-N -1 1 394.927 2.906 20 5 GFBDMM COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCC1 ZINC000791420482 658094285 /nfs/dbraw/zinc/09/42/85/658094285.db2.gz NMTBEPMDWHWYJH-UHFFFAOYSA-N -1 1 397.236 2.666 20 5 GFBDMM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796006710 658879352 /nfs/dbraw/zinc/87/93/52/658879352.db2.gz AMCRFTROHXWXPB-OAHLLOKOSA-N -1 1 384.841 2.823 20 5 GFBDMM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809806744 659939823 /nfs/dbraw/zinc/93/98/23/659939823.db2.gz FBMWMWGFSFYDPG-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000809822242 659943286 /nfs/dbraw/zinc/94/32/86/659943286.db2.gz FCOHCOPGLUZPCS-LBPRGKRZSA-N -1 1 380.825 2.871 20 5 GFBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1(C)C ZINC000809825287 659944275 /nfs/dbraw/zinc/94/42/75/659944275.db2.gz MRLZGRQQGPYWDN-NWDGAFQWSA-N -1 1 383.253 2.993 20 5 GFBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831856 659946721 /nfs/dbraw/zinc/94/67/21/659946721.db2.gz IJJPEYRGFKVQAR-SFYZADRCSA-N -1 1 399.252 2.768 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000813721299 660062158 /nfs/dbraw/zinc/06/21/58/660062158.db2.gz SBKKUAPYTCRTIR-CQSZACIVSA-N -1 1 394.852 2.853 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000815018192 660102025 /nfs/dbraw/zinc/10/20/25/660102025.db2.gz IYBOMOPEMPKZEP-PCTYZZJISA-N -1 1 392.836 2.869 20 5 GFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815021827 660102903 /nfs/dbraw/zinc/10/29/03/660102903.db2.gz ULTVPBDSEAUGQX-UHFFFAOYSA-N -1 1 398.865 2.578 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000815024275 660103393 /nfs/dbraw/zinc/10/33/93/660103393.db2.gz XRWTXGUYOGREQS-UHFFFAOYSA-N -1 1 380.825 2.608 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000815026055 660103575 /nfs/dbraw/zinc/10/35/75/660103575.db2.gz CASPKGWEJSPWIP-WZYXQFPFSA-N -1 1 390.820 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000815029717 660104248 /nfs/dbraw/zinc/10/42/48/660104248.db2.gz VZZLYVXZKCUAHQ-UHFFFAOYSA-N -1 1 390.805 2.575 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000815048002 660107187 /nfs/dbraw/zinc/10/71/87/660107187.db2.gz RUHHATJTOGNBHV-SECBINFHSA-N -1 1 386.788 2.842 20 5 GFBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841560627 661301480 /nfs/dbraw/zinc/30/14/80/661301480.db2.gz ORSIHLTWVKLOIY-XLKFXECMSA-N -1 1 380.825 2.869 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1[N+](=O)[O-] ZINC000028810259 551124369 /nfs/dbraw/zinc/12/43/69/551124369.db2.gz GGMJNEFMGQACDT-UHFFFAOYSA-N -1 1 379.419 2.748 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000066333810 551186484 /nfs/dbraw/zinc/18/64/84/551186484.db2.gz UOJRRNNKZLRHFC-DOMZBBRYSA-N -1 1 386.426 2.994 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)s1 ZINC000131134700 551372880 /nfs/dbraw/zinc/37/28/80/551372880.db2.gz YUJOKHACSKXWCY-UHFFFAOYSA-N -1 1 382.448 2.653 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000163392481 551619560 /nfs/dbraw/zinc/61/95/60/551619560.db2.gz RDSFTKFOENONIC-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189140761 552463862 /nfs/dbraw/zinc/46/38/62/552463862.db2.gz WOXKWQFCYUVOEY-MRVPVSSYSA-N -1 1 396.197 2.958 20 5 GFBDMM COC(=O)CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289526632 563677333 /nfs/dbraw/zinc/67/73/33/563677333.db2.gz QCQZDDHRWUKVKH-UHFFFAOYSA-N -1 1 385.225 2.523 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000290692078 563718289 /nfs/dbraw/zinc/71/82/89/563718289.db2.gz HWCREKPTGBXQQZ-SECBINFHSA-N -1 1 378.809 2.767 20 5 GFBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416458255 563831434 /nfs/dbraw/zinc/83/14/34/563831434.db2.gz QDHZDHVLLMMGID-ZCFIWIBFSA-N -1 1 396.372 2.813 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000570783322 564521621 /nfs/dbraw/zinc/52/16/21/564521621.db2.gz RXNITNHZGYIYOR-JTQLQIEISA-N -1 1 397.356 2.642 20 5 GFBDMM O=C(NC1(Cc2ccccc2Br)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000572629355 564603109 /nfs/dbraw/zinc/60/31/09/564603109.db2.gz QUCQOESIBUSYJQ-UHFFFAOYSA-N -1 1 392.209 2.963 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])n1 ZINC000551223317 564643130 /nfs/dbraw/zinc/64/31/30/564643130.db2.gz SGQLPPWVVSCNJB-UHFFFAOYSA-N -1 1 384.845 2.822 20 5 GFBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497668813 564873184 /nfs/dbraw/zinc/87/31/84/564873184.db2.gz XBJWVOCDTHGTSV-UHFFFAOYSA-N -1 1 394.356 2.802 20 5 GFBDMM CC(C)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000534065377 564978728 /nfs/dbraw/zinc/97/87/28/564978728.db2.gz JTYHFEKZYOGQSR-VIFPVBQESA-N -1 1 385.225 2.679 20 5 GFBDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588906480 565144358 /nfs/dbraw/zinc/14/43/58/565144358.db2.gz TYUGJKCOAWKBBL-UHFFFAOYSA-N -1 1 395.275 2.698 20 5 GFBDMM Cn1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000612687581 566171298 /nfs/dbraw/zinc/17/12/98/566171298.db2.gz QMHHCOGTBWAOCW-UHFFFAOYSA-N -1 1 380.813 2.613 20 5 GFBDMM O=Cc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Br ZINC000823557791 607306433 /nfs/dbraw/zinc/30/64/33/607306433.db2.gz QKYXORWKVFPDIY-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=Cc1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Br ZINC000823557791 607306434 /nfs/dbraw/zinc/30/64/34/607306434.db2.gz QKYXORWKVFPDIY-UHFFFAOYSA-N -1 1 391.141 2.537 20 5 GFBDMM O=C([O-])c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082018 600187374 /nfs/dbraw/zinc/18/73/74/600187374.db2.gz SYQLZFAUDQLQBP-AWEZNQCLSA-N -1 1 384.392 2.539 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccnc(OCC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826498740 607452360 /nfs/dbraw/zinc/45/23/60/607452360.db2.gz HVUJUAWSSAIQSD-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2ccnc(OCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826498740 607452361 /nfs/dbraw/zinc/45/23/61/607452361.db2.gz HVUJUAWSSAIQSD-UHFFFAOYSA-N -1 1 395.301 2.723 20 5 GFBDMM O=C([O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000760118150 600699961 /nfs/dbraw/zinc/69/99/61/600699961.db2.gz WLRQWPFOHQIBMF-UHFFFAOYSA-N -1 1 397.236 2.967 20 5 GFBDMM CC(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000826687932 602249905 /nfs/dbraw/zinc/24/99/05/602249905.db2.gz SOUKACPPOUNVMO-MRXNPFEDSA-N -1 1 384.864 2.630 20 5 GFBDMM CC(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000826687932 602249907 /nfs/dbraw/zinc/24/99/07/602249907.db2.gz SOUKACPPOUNVMO-MRXNPFEDSA-N -1 1 384.864 2.630 20 5 GFBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826451069 607636320 /nfs/dbraw/zinc/63/63/20/607636320.db2.gz OPLAQZSBIBXRNI-UHFFFAOYSA-N -1 1 394.269 2.752 20 5 GFBDMM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711042 603627801 /nfs/dbraw/zinc/62/78/01/603627801.db2.gz ABGBTYSIRNPROD-SNVBAGLBSA-N -1 1 386.836 2.801 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccc(Cl)c1Cl ZINC000823625461 606702051 /nfs/dbraw/zinc/70/20/51/606702051.db2.gz WFOVQOHETLIJKK-UHFFFAOYSA-N -1 1 396.194 2.968 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccc(Cl)c1Cl ZINC000823625461 606702052 /nfs/dbraw/zinc/70/20/52/606702052.db2.gz WFOVQOHETLIJKK-UHFFFAOYSA-N -1 1 396.194 2.968 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000823619819 606712390 /nfs/dbraw/zinc/71/23/90/606712390.db2.gz BOSGXYQATCCNSK-SNVBAGLBSA-N -1 1 396.194 2.622 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000823619819 606712392 /nfs/dbraw/zinc/71/23/92/606712392.db2.gz BOSGXYQATCCNSK-SNVBAGLBSA-N -1 1 396.194 2.622 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1csc(-c2ccccc2)n1 ZINC000823625596 607165657 /nfs/dbraw/zinc/16/56/57/607165657.db2.gz YXTLLBTUCHWXPE-UHFFFAOYSA-N -1 1 380.393 2.906 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1csc(-c2ccccc2)n1 ZINC000823625596 607165659 /nfs/dbraw/zinc/16/56/59/607165659.db2.gz YXTLLBTUCHWXPE-UHFFFAOYSA-N -1 1 380.393 2.906 20 5 GFBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1csc([N+](=O)[O-])c1 ZINC000826450763 608164341 /nfs/dbraw/zinc/16/43/41/608164341.db2.gz CQNHPAQRSLXAIP-UHFFFAOYSA-N -1 1 395.744 2.650 20 5 GFBDMM COc1cc(Br)cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000826176803 608233819 /nfs/dbraw/zinc/23/38/19/608233819.db2.gz DXDVSJNOVXNLAB-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM COc1cc(Br)cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000826176803 608233821 /nfs/dbraw/zinc/23/38/21/608233821.db2.gz DXDVSJNOVXNLAB-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000819889921 660272264 /nfs/dbraw/zinc/27/22/64/660272264.db2.gz JFZVQAPQZNVXMC-UHFFFAOYSA-N -1 1 396.799 2.921 20 5 GFBDMM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033524843 654609876 /nfs/dbraw/zinc/60/98/76/654609876.db2.gz ZFGUTFWTKBLYQW-UHFFFAOYSA-N -1 1 377.260 2.934 20 5 GFBDMM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000130219884 654884502 /nfs/dbraw/zinc/88/45/02/654884502.db2.gz ZPQPSJGXDNEYNZ-UHFFFAOYSA-N -1 1 375.497 2.931 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000269102064 654997898 /nfs/dbraw/zinc/99/78/98/654997898.db2.gz ACYPXAMQIVGNPC-RISCZKNCSA-N -1 1 392.886 2.581 20 5 GFBDMM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC000113303050 655207678 /nfs/dbraw/zinc/20/76/78/655207678.db2.gz KBTSVDHETZAODJ-UHFFFAOYSA-N -1 1 383.813 2.555 20 5 GFBDMM Cc1cnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)c1 ZINC000120068836 655326747 /nfs/dbraw/zinc/32/67/47/655326747.db2.gz YHIRPWQWWZTEQS-UHFFFAOYSA-N -1 1 378.229 2.923 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1c(F)cccc1Cl ZINC000751474714 655829247 /nfs/dbraw/zinc/82/92/47/655829247.db2.gz KYSLTUHGAAHLFU-FUXBKTLASA-N -1 1 394.833 2.849 20 5 GFBDMM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768832480 656253783 /nfs/dbraw/zinc/25/37/83/656253783.db2.gz JNIOPKBZJHTBKI-QMMMGPOBSA-N -1 1 390.414 2.852 20 5 GFBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000795240431 658745206 /nfs/dbraw/zinc/74/52/06/658745206.db2.gz CJXSQNYZDQKWIE-SNVBAGLBSA-N -1 1 378.834 2.647 20 5 GFBDMM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000795362672 658811726 /nfs/dbraw/zinc/81/17/26/658811726.db2.gz QLZVVKFTLTUPDR-SNVBAGLBSA-N -1 1 393.259 2.834 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000795960200 658876757 /nfs/dbraw/zinc/87/67/57/658876757.db2.gz IWCDRGINBBOIAD-SSDOTTSWSA-N -1 1 399.263 2.528 20 5 GFBDMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809814223 659941419 /nfs/dbraw/zinc/94/14/19/659941419.db2.gz DPBUTFQRZUUMFO-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c(Cl)cc1Cl ZINC000809821084 659943109 /nfs/dbraw/zinc/94/31/09/659943109.db2.gz HQQBMWSBSSZZKE-IUCAKERBSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c(Cl)cc1Cl ZINC000809821816 659943408 /nfs/dbraw/zinc/94/34/08/659943408.db2.gz SDBRZCQOOBKBKU-QPUJVOFHSA-N -1 1 383.253 2.731 20 5 GFBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823211 659943659 /nfs/dbraw/zinc/94/36/59/659943659.db2.gz ZYIJIOFBEXKEJB-DTWKUNHWSA-N -1 1 385.269 2.977 20 5 GFBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823210 659943793 /nfs/dbraw/zinc/94/37/93/659943793.db2.gz ZYIJIOFBEXKEJB-BDAKNGLRSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(CO)CCCC2)c(Cl)cc1Cl ZINC000809833216 659946897 /nfs/dbraw/zinc/94/68/97/659946897.db2.gz XDOSKIJAFBRBPJ-UHFFFAOYSA-N -1 1 383.253 2.733 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000809840620 659947747 /nfs/dbraw/zinc/94/77/47/659947747.db2.gz XNMZLQMKOPRJQB-NSHDSACASA-N -1 1 391.852 2.683 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCc2nccs2)cc1Cl ZINC000810082521 659960197 /nfs/dbraw/zinc/96/01/97/659960197.db2.gz SDCCRQZUOAKHMM-UHFFFAOYSA-N -1 1 379.822 2.755 20 5 GFBDMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811831859 660016388 /nfs/dbraw/zinc/01/63/88/660016388.db2.gz ILJUNBZRUJOOIZ-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM Cc1cnc(Br)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000812327217 660024031 /nfs/dbraw/zinc/02/40/31/660024031.db2.gz GLMNQKOPUHOWGM-UHFFFAOYSA-N -1 1 378.229 2.923 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000815020030 660102569 /nfs/dbraw/zinc/10/25/69/660102569.db2.gz QLJQNOZZXJQTMR-CYBMUJFWSA-N -1 1 394.833 2.635 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000815044240 660106418 /nfs/dbraw/zinc/10/64/18/660106418.db2.gz ZTFNMCSHUJUCAX-UHFFFAOYSA-N -1 1 392.836 2.608 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000815043064 660106527 /nfs/dbraw/zinc/10/65/27/660106527.db2.gz RCDQTTYVNWABNF-CQSZACIVSA-N -1 1 396.824 2.599 20 5 GFBDMM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1(F)F ZINC000851820218 661834697 /nfs/dbraw/zinc/83/46/97/661834697.db2.gz UMDYWYBCWIIRGR-JTQLQIEISA-N -1 1 399.213 2.927 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)s1 ZINC000185121829 552354668 /nfs/dbraw/zinc/35/46/68/552354668.db2.gz JLRNDIJZERKAKW-UHFFFAOYSA-N -1 1 378.435 2.819 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000372726208 563315314 /nfs/dbraw/zinc/31/53/14/563315314.db2.gz MMGGZJIBRZFOII-IINYFYTJSA-N -1 1 382.825 2.747 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(O)(c3ccccc3)CC2)s1 ZINC000364246421 563747716 /nfs/dbraw/zinc/74/77/16/563747716.db2.gz INYZCDYFAPGQNF-UHFFFAOYSA-N -1 1 382.463 2.765 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)CCc1ccccc1 ZINC000542316767 564309693 /nfs/dbraw/zinc/30/96/93/564309693.db2.gz CBQGHVIVEUDSLN-CYBMUJFWSA-N -1 1 384.841 2.520 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)CCc1ccccc1 ZINC000542316768 564309754 /nfs/dbraw/zinc/30/97/54/564309754.db2.gz CBQGHVIVEUDSLN-ZDUSSCGKSA-N -1 1 384.841 2.520 20 5 GFBDMM COC(=O)c1cncc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486321915 564648661 /nfs/dbraw/zinc/64/86/61/564648661.db2.gz YHDJHCZJTXPIDH-UHFFFAOYSA-N -1 1 386.183 2.853 20 5 GFBDMM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490334993 564768180 /nfs/dbraw/zinc/76/81/80/564768180.db2.gz IYYIYIFOWXBPOM-UHFFFAOYSA-N -1 1 375.200 2.737 20 5 GFBDMM CC(C)c1nnc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000490441460 564771446 /nfs/dbraw/zinc/77/14/46/564771446.db2.gz XYUSKLDSBBCMGO-UHFFFAOYSA-N -1 1 390.874 2.744 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000490459110 564772317 /nfs/dbraw/zinc/77/23/17/564772317.db2.gz SVWABJGEYWABGZ-SECBINFHSA-N -1 1 390.874 2.882 20 5 GFBDMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000581095222 564788057 /nfs/dbraw/zinc/78/80/57/564788057.db2.gz UKUDKTJRKIUDTI-QHCPKHFHSA-N -1 1 388.854 2.928 20 5 GFBDMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462404231 564836929 /nfs/dbraw/zinc/83/69/29/564836929.db2.gz VHDZQOKIYVCVLT-SECBINFHSA-N -1 1 386.861 2.508 20 5 GFBDMM CSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000532364616 564935549 /nfs/dbraw/zinc/93/55/49/564935549.db2.gz LNRDGGNHLLCNRG-UHFFFAOYSA-N -1 1 382.419 2.957 20 5 GFBDMM O=C([O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000534049111 564977907 /nfs/dbraw/zinc/97/79/07/564977907.db2.gz ZIKCBGKFYXQOJH-UHFFFAOYSA-N -1 1 383.209 2.577 20 5 GFBDMM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000535499244 565014791 /nfs/dbraw/zinc/01/47/91/565014791.db2.gz OGVUIPBZVYOIFL-UHFFFAOYSA-N -1 1 385.225 2.823 20 5 GFBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000593274725 565322749 /nfs/dbraw/zinc/32/27/49/565322749.db2.gz BOABQQYLLSDWDZ-QMMMGPOBSA-N -1 1 397.236 2.681 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598621632 565630661 /nfs/dbraw/zinc/63/06/61/565630661.db2.gz JKHGDUHUNHJGGT-SSDOTTSWSA-N -1 1 385.186 2.681 20 5 GFBDMM CCC(CC)([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599226874 565662035 /nfs/dbraw/zinc/66/20/35/565662035.db2.gz LSNKYGCRHIXECY-UHFFFAOYSA-N -1 1 386.861 2.976 20 5 GFBDMM CC(C)COCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609030624 566028772 /nfs/dbraw/zinc/02/87/72/566028772.db2.gz ZMIKHEMSNQFQPN-UHFFFAOYSA-N -1 1 395.275 2.698 20 5 GFBDMM C[C@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820307352 607329255 /nfs/dbraw/zinc/32/92/55/607329255.db2.gz LTCIBGJNSANMEA-SECBINFHSA-N -1 1 382.409 2.823 20 5 GFBDMM C[C@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820307352 607329256 /nfs/dbraw/zinc/32/92/56/607329256.db2.gz LTCIBGJNSANMEA-SECBINFHSA-N -1 1 382.409 2.823 20 5 GFBDMM Cn1c(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000826355428 607452195 /nfs/dbraw/zinc/45/21/95/607452195.db2.gz YZOJIDBZWVWJAE-UHFFFAOYSA-N -1 1 378.396 2.706 20 5 GFBDMM Cn1c(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000826355428 607452196 /nfs/dbraw/zinc/45/21/96/607452196.db2.gz YZOJIDBZWVWJAE-UHFFFAOYSA-N -1 1 378.396 2.706 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826498292 607568089 /nfs/dbraw/zinc/56/80/89/607568089.db2.gz OPNVDOWKMNZPLS-OAHLLOKOSA-N -1 1 380.408 2.818 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826498292 607568091 /nfs/dbraw/zinc/56/80/91/607568091.db2.gz OPNVDOWKMNZPLS-OAHLLOKOSA-N -1 1 380.408 2.818 20 5 GFBDMM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nn[n-]n1 ZINC000826304524 607599473 /nfs/dbraw/zinc/59/94/73/607599473.db2.gz OIYIKDILZQWDQD-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000833419969 604863993 /nfs/dbraw/zinc/86/39/93/604863993.db2.gz LLGGZNISWPCZLI-CQSZACIVSA-N -1 1 390.440 2.617 20 5 GFBDMM CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H]1C ZINC000833658038 605174401 /nfs/dbraw/zinc/17/44/01/605174401.db2.gz QEIAHGBTPRCPET-STQMWFEESA-N -1 1 395.481 2.716 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000824453605 605373904 /nfs/dbraw/zinc/37/39/04/605373904.db2.gz PXOYUZXSLMACPD-NEPJUHHUSA-N -1 1 379.417 2.578 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1C ZINC000820767926 606417559 /nfs/dbraw/zinc/41/75/59/606417559.db2.gz KEQNBVPOQRQUNJ-SYQHCUMBSA-N -1 1 385.472 2.959 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000820767926 606417561 /nfs/dbraw/zinc/41/75/61/606417561.db2.gz KEQNBVPOQRQUNJ-SYQHCUMBSA-N -1 1 385.472 2.959 20 5 GFBDMM CC(C)(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000819959033 606649519 /nfs/dbraw/zinc/64/95/19/606649519.db2.gz VRLJJCHRTYOVMT-UHFFFAOYSA-N -1 1 382.380 2.824 20 5 GFBDMM CC(C)(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000819959033 606649520 /nfs/dbraw/zinc/64/95/20/606649520.db2.gz VRLJJCHRTYOVMT-UHFFFAOYSA-N -1 1 382.380 2.824 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1sccc1Br ZINC000823625158 606705995 /nfs/dbraw/zinc/70/59/95/606705995.db2.gz RKBHESIYWHYJDK-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1sccc1Br ZINC000823625158 606705997 /nfs/dbraw/zinc/70/59/97/606705997.db2.gz RKBHESIYWHYJDK-UHFFFAOYSA-N -1 1 382.203 2.606 20 5 GFBDMM Cc1ccc(-c2nc(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])co2)cc1 ZINC000822214135 606706891 /nfs/dbraw/zinc/70/68/91/606706891.db2.gz QPJGCRUIKOMEGV-UHFFFAOYSA-N -1 1 392.379 2.788 20 5 GFBDMM Cc1ccc(-c2nc(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])co2)cc1 ZINC000822214135 606706893 /nfs/dbraw/zinc/70/68/93/606706893.db2.gz QPJGCRUIKOMEGV-UHFFFAOYSA-N -1 1 392.379 2.788 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000820281596 606712722 /nfs/dbraw/zinc/71/27/22/606712722.db2.gz WRLLXLRMKPFEIQ-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000820281596 606712723 /nfs/dbraw/zinc/71/27/23/606712723.db2.gz WRLLXLRMKPFEIQ-VIFPVBQESA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000820281594 606712968 /nfs/dbraw/zinc/71/29/68/606712968.db2.gz WRLLXLRMKPFEIQ-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000820281594 606712969 /nfs/dbraw/zinc/71/29/69/606712969.db2.gz WRLLXLRMKPFEIQ-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823620521 606715840 /nfs/dbraw/zinc/71/58/40/606715840.db2.gz MPITZZVXYZEREK-UHFFFAOYSA-N -1 1 389.375 2.993 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823620521 606715843 /nfs/dbraw/zinc/71/58/43/606715843.db2.gz MPITZZVXYZEREK-UHFFFAOYSA-N -1 1 389.375 2.993 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1cc2ccccc2s1 ZINC000823620209 606720834 /nfs/dbraw/zinc/72/08/34/606720834.db2.gz IGVQIPCYONLCFZ-LLVKDONJSA-N -1 1 383.393 2.530 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1cc2ccccc2s1 ZINC000823620209 606720836 /nfs/dbraw/zinc/72/08/36/606720836.db2.gz IGVQIPCYONLCFZ-LLVKDONJSA-N -1 1 383.393 2.530 20 5 GFBDMM O=C(Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)c1ccco1 ZINC000823356524 607161406 /nfs/dbraw/zinc/16/14/06/607161406.db2.gz OCQCAJINNKUEHM-UHFFFAOYSA-N -1 1 393.319 2.808 20 5 GFBDMM O=C(Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)c1ccco1 ZINC000823356524 607161408 /nfs/dbraw/zinc/16/14/08/607161408.db2.gz OCQCAJINNKUEHM-UHFFFAOYSA-N -1 1 393.319 2.808 20 5 GFBDMM Cc1ccc(-c2nnc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])o2)cc1 ZINC000822215174 607162480 /nfs/dbraw/zinc/16/24/80/607162480.db2.gz OTHDEQLWDDGGOL-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM Cc1ccc(-c2nnc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])o2)cc1 ZINC000822215174 607162482 /nfs/dbraw/zinc/16/24/82/607162482.db2.gz OTHDEQLWDDGGOL-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM Cc1ccccc1-c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000822345797 607163287 /nfs/dbraw/zinc/16/32/87/607163287.db2.gz RUMRXYDLGGVZRV-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM Cc1ccccc1-c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000822345797 607163288 /nfs/dbraw/zinc/16/32/88/607163288.db2.gz RUMRXYDLGGVZRV-UHFFFAOYSA-N -1 1 382.365 2.680 20 5 GFBDMM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826467784 608029331 /nfs/dbraw/zinc/02/93/31/608029331.db2.gz LRSAYRYSZQXJEZ-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826467784 608029332 /nfs/dbraw/zinc/02/93/32/608029332.db2.gz LRSAYRYSZQXJEZ-UHFFFAOYSA-N -1 1 398.360 2.848 20 5 GFBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000828381214 660545772 /nfs/dbraw/zinc/54/57/72/660545772.db2.gz MBJIOCHVEGLWTG-RCOVLWMOSA-N -1 1 399.263 2.669 20 5 GFBDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000029336757 654576362 /nfs/dbraw/zinc/57/63/62/654576362.db2.gz FTXFJOGULGHZIZ-UHFFFAOYSA-N -1 1 384.797 2.765 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCS1 ZINC000126239071 654810983 /nfs/dbraw/zinc/81/09/83/654810983.db2.gz YTPOSNBUCHOVSB-LBPRGKRZSA-N -1 1 395.300 2.921 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000130460353 654888938 /nfs/dbraw/zinc/88/89/38/654888938.db2.gz WJRMNOWJQDKWRS-UHFFFAOYSA-N -1 1 386.773 2.848 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000134601484 654997389 /nfs/dbraw/zinc/99/73/89/654997389.db2.gz ODKWTSYGCUZRME-UHFFFAOYSA-N -1 1 395.300 2.779 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000115313035 655234394 /nfs/dbraw/zinc/23/43/94/655234394.db2.gz QPTYPFZRYUEEMD-DEOSSOPVSA-N -1 1 382.463 2.837 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000115437874 655237407 /nfs/dbraw/zinc/23/74/07/655237407.db2.gz USBJLFALYBXYCV-SNVBAGLBSA-N -1 1 378.834 2.647 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000194338875 655415321 /nfs/dbraw/zinc/41/53/21/655415321.db2.gz GCBRJCMPVXLJTK-UHFFFAOYSA-N -1 1 383.382 2.929 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c([N+](=O)[O-])c1 ZINC000577931148 655469563 /nfs/dbraw/zinc/46/95/63/655469563.db2.gz NQZFAYQIISWPOE-UHFFFAOYSA-N -1 1 376.799 2.897 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751439353 655827458 /nfs/dbraw/zinc/82/74/58/655827458.db2.gz ZWTDDHFSYPLLQG-SNVBAGLBSA-N -1 1 376.843 2.712 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751488852 655829825 /nfs/dbraw/zinc/82/98/25/655829825.db2.gz WUPZJHATVAESRG-OTYXRUKQSA-N -1 1 388.804 2.788 20 5 GFBDMM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000760731138 655990682 /nfs/dbraw/zinc/99/06/82/655990682.db2.gz LUOUVMDHNYVMOP-CYBMUJFWSA-N -1 1 386.191 2.856 20 5 GFBDMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000840912647 661205908 /nfs/dbraw/zinc/20/59/08/661205908.db2.gz LXLVMYGMNIDBAD-UHFFFAOYSA-N -1 1 376.818 2.784 20 5 GFBDMM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000773359219 656440502 /nfs/dbraw/zinc/44/05/02/656440502.db2.gz NNLLAEMLVVUUGU-UHFFFAOYSA-N -1 1 376.406 2.524 20 5 GFBDMM CN(C)c1cc(F)c(C(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000774094601 656491189 /nfs/dbraw/zinc/49/11/89/656491189.db2.gz FHUXWRABWPPYAQ-UHFFFAOYSA-N -1 1 399.176 2.915 20 5 GFBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774887735 656566092 /nfs/dbraw/zinc/56/60/92/656566092.db2.gz GTEPPDTVUQSXGL-SECBINFHSA-N -1 1 380.344 2.687 20 5 GFBDMM Cn1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000778094362 656861946 /nfs/dbraw/zinc/86/19/46/656861946.db2.gz DFMJZFWGQJFXJK-UHFFFAOYSA-N -1 1 386.842 2.675 20 5 GFBDMM CN(CC(=O)Nc1nc(Br)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000783905228 657270897 /nfs/dbraw/zinc/27/08/97/657270897.db2.gz QXPBZLWTFZPIII-UHFFFAOYSA-N -1 1 381.186 2.533 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)Cn1cccn1 ZINC000791422215 658094830 /nfs/dbraw/zinc/09/48/30/658094830.db2.gz AYSICDROPYSQFI-VIFPVBQESA-N -1 1 393.252 2.713 20 5 GFBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421789 658094983 /nfs/dbraw/zinc/09/49/83/658094983.db2.gz PRLJKTLLYMUENK-QMMMGPOBSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2CO)c(Cl)cc1Cl ZINC000809819850 659942570 /nfs/dbraw/zinc/94/25/70/659942570.db2.gz ZMZKODOWXSLVAZ-UHFFFAOYSA-N -1 1 391.232 2.872 20 5 GFBDMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821323 659943450 /nfs/dbraw/zinc/94/34/50/659943450.db2.gz QBCITGUGSQTFIR-MRVPVSSYSA-N -1 1 399.252 2.768 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCOC1 ZINC000809831530 659946378 /nfs/dbraw/zinc/94/63/78/659946378.db2.gz ALWTWWDKKHEOMN-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000813721298 660062185 /nfs/dbraw/zinc/06/21/85/660062185.db2.gz SBKKUAPYTCRTIR-AWEZNQCLSA-N -1 1 394.852 2.853 20 5 GFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815042502 660106353 /nfs/dbraw/zinc/10/63/53/660106353.db2.gz LRXXQVFPRXLOCJ-SECBINFHSA-N -1 1 396.824 2.645 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1 ZINC000815046496 660106711 /nfs/dbraw/zinc/10/67/11/660106711.db2.gz WKKONJNYABODBY-UHFFFAOYSA-N -1 1 396.734 2.593 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845978027 661516187 /nfs/dbraw/zinc/51/61/87/661516187.db2.gz INIASSSWMOJIDJ-BZNIZROVSA-N -1 1 384.841 2.823 20 5 GFBDMM Cc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)c1 ZINC000848476773 661652974 /nfs/dbraw/zinc/65/29/74/661652974.db2.gz GDSLGNZACFQYKV-UHFFFAOYSA-N -1 1 387.820 2.920 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCC3(COC3)CC2)cc1Cl ZINC000882823247 663043349 /nfs/dbraw/zinc/04/33/49/663043349.db2.gz SRVBXJUAHWCUQZ-UHFFFAOYSA-N -1 1 378.809 2.625 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000161992433 551601981 /nfs/dbraw/zinc/60/19/81/551601981.db2.gz HQCOQNAJEWXJPL-ZDUSSCGKSA-N -1 1 376.862 2.858 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416558565 563848717 /nfs/dbraw/zinc/84/87/17/563848717.db2.gz MDKLFILSOZTTOL-MIMYLULJSA-N -1 1 375.244 2.824 20 5 GFBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295244949 563238574 /nfs/dbraw/zinc/23/85/74/563238574.db2.gz YNKXTJNHNKOTJI-BDAKNGLRSA-N -1 1 383.253 2.995 20 5 GFBDMM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303152633 563433113 /nfs/dbraw/zinc/43/31/13/563433113.db2.gz GGAWJAVRBUFWJH-CYBMUJFWSA-N -1 1 378.182 2.875 20 5 GFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cc1[O-] ZINC000444630335 563834859 /nfs/dbraw/zinc/83/48/59/563834859.db2.gz GUTOHVBPNFQZGD-UHFFFAOYSA-N -1 1 391.181 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000505319804 564179996 /nfs/dbraw/zinc/17/99/96/564179996.db2.gz ZVYJITNEGLHRKI-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM COC(=O)c1cc([N-]C(=O)c2ncsc2Br)cc([N+](=O)[O-])c1 ZINC000563770498 564206107 /nfs/dbraw/zinc/20/61/07/564206107.db2.gz PTSHNKUTASSCGS-UHFFFAOYSA-N -1 1 386.183 2.853 20 5 GFBDMM CSc1ccc(-c2nsc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000539724406 564226236 /nfs/dbraw/zinc/22/62/36/564226236.db2.gz FXHGHRBGKAIXHA-UHFFFAOYSA-N -1 1 376.423 2.821 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000560018230 564945741 /nfs/dbraw/zinc/94/57/41/564945741.db2.gz GWOUYPMHUYBNFM-UHFFFAOYSA-N -1 1 393.755 2.723 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456498 565013882 /nfs/dbraw/zinc/01/38/82/565013882.db2.gz WHHUBNMKDXMNII-IAQYHMDHSA-N -1 1 390.845 2.648 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2ccccc2Br)C1 ZINC000600837903 565752645 /nfs/dbraw/zinc/75/26/45/565752645.db2.gz KFYLIVVGNFSLGC-UHFFFAOYSA-N -1 1 392.209 2.773 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2c1CCOC2 ZINC000601517316 565788975 /nfs/dbraw/zinc/78/89/75/565788975.db2.gz JRMXUYLIPKDFET-UHFFFAOYSA-N -1 1 382.825 2.799 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(CC2CC2)C1 ZINC000610263246 566073941 /nfs/dbraw/zinc/07/39/41/566073941.db2.gz HPICELZFPGOTJN-NSHDSACASA-N -1 1 394.280 2.664 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000612173302 566153492 /nfs/dbraw/zinc/15/34/92/566153492.db2.gz SWTZZUXGCMASAJ-JTQLQIEISA-N -1 1 390.751 2.938 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738374518 598774257 /nfs/dbraw/zinc/77/42/57/598774257.db2.gz PYEPFMZNZRCJIB-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738374518 598774258 /nfs/dbraw/zinc/77/42/58/598774258.db2.gz PYEPFMZNZRCJIB-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727408 600692375 /nfs/dbraw/zinc/69/23/75/600692375.db2.gz JKXFCMNBPMXOPX-YGRLFVJLSA-N -1 1 375.406 2.811 20 5 GFBDMM O=C([O-])N1CCC(N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)CC1 ZINC000740505117 601933130 /nfs/dbraw/zinc/93/31/30/601933130.db2.gz IJLDUGHRTLOAHY-UHFFFAOYSA-N -1 1 387.396 2.752 20 5 GFBDMM CCCC(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821009689 606697787 /nfs/dbraw/zinc/69/77/87/606697787.db2.gz YRDUKULJCYFBDM-UHFFFAOYSA-N -1 1 382.384 2.521 20 5 GFBDMM CCCC(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821009689 606697788 /nfs/dbraw/zinc/69/77/88/606697788.db2.gz YRDUKULJCYFBDM-UHFFFAOYSA-N -1 1 382.384 2.521 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000823620787 606700333 /nfs/dbraw/zinc/70/03/33/606700333.db2.gz QGLAMDPFZRXPEC-UHFFFAOYSA-N -1 1 396.798 2.867 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000823620787 606700335 /nfs/dbraw/zinc/70/03/35/606700335.db2.gz QGLAMDPFZRXPEC-UHFFFAOYSA-N -1 1 396.798 2.867 20 5 GFBDMM CC(C)(C)c1cccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000819958912 606710429 /nfs/dbraw/zinc/71/04/29/606710429.db2.gz STNJFIUBWOFHRC-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM CC(C)(C)c1cccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000819958912 606710431 /nfs/dbraw/zinc/71/04/31/606710431.db2.gz STNJFIUBWOFHRC-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM CC(C)(C)c1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819959104 607162013 /nfs/dbraw/zinc/16/20/13/607162013.db2.gz YKJOJVOMUPFZCP-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM CC(C)(C)c1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819959104 607162015 /nfs/dbraw/zinc/16/20/15/607162015.db2.gz YKJOJVOMUPFZCP-UHFFFAOYSA-N -1 1 383.412 2.958 20 5 GFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000820461468 607168625 /nfs/dbraw/zinc/16/86/25/607168625.db2.gz KOVGEWJLVFIWDJ-QMMMGPOBSA-N -1 1 377.311 2.944 20 5 GFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000820461468 607168626 /nfs/dbraw/zinc/16/86/26/607168626.db2.gz KOVGEWJLVFIWDJ-QMMMGPOBSA-N -1 1 377.311 2.944 20 5 GFBDMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830729016 660676293 /nfs/dbraw/zinc/67/62/93/660676293.db2.gz LGCRNTCDJAYXGQ-MRVPVSSYSA-N -1 1 399.252 2.768 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC000831063779 660692230 /nfs/dbraw/zinc/69/22/30/660692230.db2.gz XRKRWRUYCDBKPE-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000029971957 654581449 /nfs/dbraw/zinc/58/14/49/654581449.db2.gz DQXQWWSYRBFSGH-UHFFFAOYSA-N -1 1 386.813 2.744 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)s1 ZINC000064245322 654864976 /nfs/dbraw/zinc/86/49/76/654864976.db2.gz GXAXUVKUPDABGW-UHFFFAOYSA-N -1 1 383.270 2.959 20 5 GFBDMM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000181508581 655338505 /nfs/dbraw/zinc/33/85/05/655338505.db2.gz JXJQUQYXEVNJFM-UHFFFAOYSA-N -1 1 386.861 2.510 20 5 GFBDMM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000751246335 655823612 /nfs/dbraw/zinc/82/36/12/655823612.db2.gz DXFDTAGRXDGOGF-UHFFFAOYSA-N -1 1 378.472 2.835 20 5 GFBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000751986275 655837793 /nfs/dbraw/zinc/83/77/93/655837793.db2.gz AKTQBBIKFWZKSP-LLVKDONJSA-N -1 1 378.834 2.648 20 5 GFBDMM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000796105886 658892356 /nfs/dbraw/zinc/89/23/56/658892356.db2.gz DSKFZSHDALDUSY-RCOVLWMOSA-N -1 1 399.263 2.526 20 5 GFBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000796105884 658892490 /nfs/dbraw/zinc/89/24/90/658892490.db2.gz DSKFZSHDALDUSY-MUWHJKNJSA-N -1 1 399.263 2.526 20 5 GFBDMM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000800967670 659360118 /nfs/dbraw/zinc/36/01/18/659360118.db2.gz ZXSRNXFSGJLWKD-HNNXBMFYSA-N -1 1 384.841 2.877 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000809818794 659942279 /nfs/dbraw/zinc/94/22/79/659942279.db2.gz JLZOJNVEIYPKTR-ZDUSSCGKSA-N -1 1 392.767 2.538 20 5 GFBDMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809820961 659942877 /nfs/dbraw/zinc/94/28/77/659942877.db2.gz FUTKEANWDUTMLB-UHFFFAOYSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c(Cl)cc1Cl ZINC000809830507 659946085 /nfs/dbraw/zinc/94/60/85/659946085.db2.gz ZCVRQOZQNJPMEL-NSHDSACASA-N -1 1 397.261 2.975 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c(Cl)cc1Cl ZINC000809832451 659946749 /nfs/dbraw/zinc/94/67/49/659946749.db2.gz QLHGMAMUHAONHS-JTQLQIEISA-N -1 1 395.220 2.897 20 5 GFBDMM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023564 660103232 /nfs/dbraw/zinc/10/32/32/660103232.db2.gz BLZIZSYNWWVMJQ-UHFFFAOYSA-N -1 1 391.808 2.903 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000815030738 660104209 /nfs/dbraw/zinc/10/42/09/660104209.db2.gz FFJAZIUHHVEQDG-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815032822 660104709 /nfs/dbraw/zinc/10/47/09/660104709.db2.gz NDJQPUKSTKFVGW-NXEZZACHSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000815038469 660105715 /nfs/dbraw/zinc/10/57/15/660105715.db2.gz JLIKWNFPBAOQJC-LLVKDONJSA-N -1 1 391.852 2.683 20 5 GFBDMM CCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000841554507 661298225 /nfs/dbraw/zinc/29/82/25/661298225.db2.gz PYVVHNBMKBDCAG-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CS1 ZINC000841558711 661300632 /nfs/dbraw/zinc/30/06/32/661300632.db2.gz JXUDZYCDDLSQRO-BQBZGAKWSA-N -1 1 399.263 2.669 20 5 GFBDMM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000841563497 661302470 /nfs/dbraw/zinc/30/24/70/661302470.db2.gz OQFNHIYTDAHTLD-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM COC1CC(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000849412108 661718470 /nfs/dbraw/zinc/71/84/70/661718470.db2.gz FXVCIVISBDAZMI-UHFFFAOYSA-N -1 1 383.253 2.995 20 5 GFBDMM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849474468 661732977 /nfs/dbraw/zinc/73/29/77/661732977.db2.gz XSRMEYBUQRYZRQ-UHFFFAOYSA-N -1 1 384.845 2.728 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859341791 662154211 /nfs/dbraw/zinc/15/42/11/662154211.db2.gz SMJKUZKIJFRRCY-OUDXYJABSA-N -1 1 383.253 2.992 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c(Cl)cc1Cl ZINC000859367386 662156824 /nfs/dbraw/zinc/15/68/24/662156824.db2.gz FIFVLLVNEWANPN-PELKAZGASA-N -1 1 381.237 2.747 20 5 GFBDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCC2)no1 ZINC000056054885 551176228 /nfs/dbraw/zinc/17/62/28/551176228.db2.gz FTCOCULRUVMTQX-UHFFFAOYSA-N -1 1 386.817 2.687 20 5 GFBDMM C[C@H](Cc1ccccc1Br)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185843922 552372012 /nfs/dbraw/zinc/37/20/12/552372012.db2.gz NBWMBCLVWNPDPN-SECBINFHSA-N -1 1 380.198 2.819 20 5 GFBDMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186946652 552402429 /nfs/dbraw/zinc/40/24/29/552402429.db2.gz IDQBKXBATHMUQP-SECBINFHSA-N -1 1 380.198 2.819 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1[N+](=O)[O-] ZINC000328163373 563460603 /nfs/dbraw/zinc/46/06/03/563460603.db2.gz RDKPVAYCQOYCCW-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000328359949 563461048 /nfs/dbraw/zinc/46/10/48/563461048.db2.gz IMLXAKPXUOIWTL-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507162463 564219725 /nfs/dbraw/zinc/21/97/25/564219725.db2.gz NSXSRQYBIJLZQK-LBPRGKRZSA-N -1 1 394.181 2.712 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000479265342 564433964 /nfs/dbraw/zinc/43/39/64/564433964.db2.gz IJJZPDVSGFEXGM-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000569526176 564467989 /nfs/dbraw/zinc/46/79/89/564467989.db2.gz URUOPUSAGAOAFO-NSHDSACASA-N -1 1 386.788 2.669 20 5 GFBDMM COCCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000481258606 564508378 /nfs/dbraw/zinc/50/83/78/564508378.db2.gz MBBOXBSMPDBFQB-UHFFFAOYSA-N -1 1 393.259 2.595 20 5 GFBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000580795778 564773580 /nfs/dbraw/zinc/77/35/80/564773580.db2.gz AEAPPCDTROZSCW-NSHDSACASA-N -1 1 376.843 2.976 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CC ZINC000462573802 564849291 /nfs/dbraw/zinc/84/92/91/564849291.db2.gz BDAOUERSMORSEM-RNCFNFMXSA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1sccc1Br ZINC000462712974 564856340 /nfs/dbraw/zinc/85/63/40/564856340.db2.gz VWNAOCNNKZHNSR-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000504693669 565042844 /nfs/dbraw/zinc/04/28/44/565042844.db2.gz AERFVMRADCOSLC-SNVBAGLBSA-N -1 1 382.419 2.961 20 5 GFBDMM C[C@@H]1C[C@@H]1[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248571 565664468 /nfs/dbraw/zinc/66/44/68/565664468.db2.gz OHVWUXRYSWPZDS-LJWDBELGSA-N -1 1 384.845 2.657 20 5 GFBDMM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740143579 600104328 /nfs/dbraw/zinc/10/43/28/600104328.db2.gz GHGIIGKFPDHNQY-UHFFFAOYSA-N -1 1 391.405 2.694 20 5 GFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)cc1 ZINC000824654905 607449967 /nfs/dbraw/zinc/44/99/67/607449967.db2.gz AFPWDOBWRRKWOR-LLVKDONJSA-N -1 1 377.368 2.529 20 5 GFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824654905 607449969 /nfs/dbraw/zinc/44/99/69/607449969.db2.gz AFPWDOBWRRKWOR-LLVKDONJSA-N -1 1 377.368 2.529 20 5 GFBDMM COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)c1 ZINC000826216647 607452048 /nfs/dbraw/zinc/45/20/48/607452048.db2.gz IIHXXQNMULXQSG-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)c1 ZINC000826216647 607452050 /nfs/dbraw/zinc/45/20/50/607452050.db2.gz IIHXXQNMULXQSG-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1-c1nnn[n-]1 ZINC000826498697 607452550 /nfs/dbraw/zinc/45/25/50/607452550.db2.gz FRZCVYRRMKJVGO-MRXNPFEDSA-N -1 1 388.334 2.631 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1-c1nn[n-]n1 ZINC000826498697 607452552 /nfs/dbraw/zinc/45/25/52/607452552.db2.gz FRZCVYRRMKJVGO-MRXNPFEDSA-N -1 1 388.334 2.631 20 5 GFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826498659 607548082 /nfs/dbraw/zinc/54/80/82/607548082.db2.gz DPVFPKDECXOCEE-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826498659 607548084 /nfs/dbraw/zinc/54/80/84/607548084.db2.gz DPVFPKDECXOCEE-UHFFFAOYSA-N -1 1 377.158 2.511 20 5 GFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826500386 607572820 /nfs/dbraw/zinc/57/28/20/607572820.db2.gz WRLDZQBBHJYUKK-UHFFFAOYSA-N -1 1 397.372 2.696 20 5 GFBDMM COc1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)c([N+](=O)[O-])c1 ZINC000739934197 602652968 /nfs/dbraw/zinc/65/29/68/602652968.db2.gz YHXCVNWVEOMOAO-UHFFFAOYSA-N -1 1 385.329 2.633 20 5 GFBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826467126 607616126 /nfs/dbraw/zinc/61/61/26/607616126.db2.gz IIMJKULSSLMUSU-UHFFFAOYSA-N -1 1 394.269 2.546 20 5 GFBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826467126 607616128 /nfs/dbraw/zinc/61/61/28/607616128.db2.gz IIMJKULSSLMUSU-UHFFFAOYSA-N -1 1 394.269 2.546 20 5 GFBDMM COc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000831999917 604420369 /nfs/dbraw/zinc/42/03/69/604420369.db2.gz CRXSNNNKRSLNSD-UHFFFAOYSA-N -1 1 387.392 2.634 20 5 GFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)ccc1-c1nn[n-]n1 ZINC000823635029 606646139 /nfs/dbraw/zinc/64/61/39/606646139.db2.gz PXFXSJNEIXQZSF-GFCCVEGCSA-N -1 1 383.387 2.852 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(N2CCCCC2)cc1 ZINC000823625463 606698932 /nfs/dbraw/zinc/69/89/32/606698932.db2.gz WFXSZFFLZSJIKS-UHFFFAOYSA-N -1 1 394.439 2.815 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(N2CCCCC2)cc1 ZINC000823625463 606698933 /nfs/dbraw/zinc/69/89/33/606698933.db2.gz WFXSZFFLZSJIKS-UHFFFAOYSA-N -1 1 394.439 2.815 20 5 GFBDMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596608 606704998 /nfs/dbraw/zinc/70/49/98/606704998.db2.gz PNWUCBDXDAAPEO-YOEHRIQHSA-N -1 1 395.423 2.774 20 5 GFBDMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596608 606704999 /nfs/dbraw/zinc/70/49/99/606704999.db2.gz PNWUCBDXDAAPEO-YOEHRIQHSA-N -1 1 395.423 2.774 20 5 GFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000820462629 606709313 /nfs/dbraw/zinc/70/93/13/606709313.db2.gz ZBOZPKWCSSGYOX-ZETCQYMHSA-N -1 1 385.775 2.873 20 5 GFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820280412 606712894 /nfs/dbraw/zinc/71/28/94/606712894.db2.gz FKTBJJXLIDEPCJ-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820280412 606712896 /nfs/dbraw/zinc/71/28/96/606712896.db2.gz FKTBJJXLIDEPCJ-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830860055 660683359 /nfs/dbraw/zinc/68/33/59/660683359.db2.gz QZZLBEPLGDPGTE-DTWKUNHWSA-N -1 1 383.253 2.995 20 5 GFBDMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832463376 660781590 /nfs/dbraw/zinc/78/15/90/660781590.db2.gz YFQNMMSKUKNQKY-QMMMGPOBSA-N -1 1 393.252 2.545 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000130604782 654890078 /nfs/dbraw/zinc/89/00/78/654890078.db2.gz CXMLMMNLZOAFGZ-UHFFFAOYSA-N -1 1 381.797 2.601 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000130665453 654890862 /nfs/dbraw/zinc/89/08/62/654890862.db2.gz FWOYITOROXHTCC-UHFFFAOYSA-N -1 1 381.797 2.852 20 5 GFBDMM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000167639511 655142979 /nfs/dbraw/zinc/14/29/79/655142979.db2.gz JMPLALVJRKABDZ-UHFFFAOYSA-N -1 1 386.861 2.585 20 5 GFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000736344102 655662578 /nfs/dbraw/zinc/66/25/78/655662578.db2.gz AZGVOFDCCBLEKD-LLVKDONJSA-N -1 1 395.275 2.841 20 5 GFBDMM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000742282056 655713831 /nfs/dbraw/zinc/71/38/31/655713831.db2.gz XOWLVWFYAXBPAN-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM COC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000757935376 655919081 /nfs/dbraw/zinc/91/90/81/655919081.db2.gz NQMXRUNNSNYUOT-UHFFFAOYSA-N -1 1 384.797 2.513 20 5 GFBDMM Cn1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc2cccc(Cl)c21 ZINC000772989270 656396544 /nfs/dbraw/zinc/39/65/44/656396544.db2.gz NLLQRQDPXIWQJS-UHFFFAOYSA-N -1 1 386.842 2.675 20 5 GFBDMM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000774932177 656572205 /nfs/dbraw/zinc/57/22/05/656572205.db2.gz YKPPSBGZCJQUBM-OAHLLOKOSA-N -1 1 392.861 2.894 20 5 GFBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000783905949 657271284 /nfs/dbraw/zinc/27/12/84/657271284.db2.gz OXXLIJNSQNVFIY-UHFFFAOYSA-N -1 1 396.182 2.715 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)ccc1Br ZINC000805143315 659750555 /nfs/dbraw/zinc/75/05/55/659750555.db2.gz GXXQDSJGBRDMNT-SNVBAGLBSA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)cc1Cl ZINC000809818543 659942087 /nfs/dbraw/zinc/94/20/87/659942087.db2.gz FQRXVOWYQODZDS-CYBMUJFWSA-N -1 1 394.852 2.997 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)cc1Cl ZINC000809820491 659942732 /nfs/dbraw/zinc/94/27/32/659942732.db2.gz ZIIIBZRTRUKVCC-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000809820925 659943054 /nfs/dbraw/zinc/94/30/54/659943054.db2.gz FJMIWTDJFQWQSF-LLVKDONJSA-N -1 1 395.220 2.815 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c(Cl)cc1Cl ZINC000809821814 659943229 /nfs/dbraw/zinc/94/32/29/659943229.db2.gz SDBRZCQOOBKBKU-PELKAZGASA-N -1 1 383.253 2.731 20 5 GFBDMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828038 659945379 /nfs/dbraw/zinc/94/53/79/659945379.db2.gz GQWYNWYZFPOCQX-MRVPVSSYSA-N -1 1 399.252 2.912 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c(Cl)cc1Cl ZINC000809841677 659948111 /nfs/dbraw/zinc/94/81/11/659948111.db2.gz SATUAOCADCZUHS-SECBINFHSA-N -1 1 383.253 2.731 20 5 GFBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815025863 660103595 /nfs/dbraw/zinc/10/35/95/660103595.db2.gz MJIJAEGKEPZJAA-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841560626 661301314 /nfs/dbraw/zinc/30/13/14/661301314.db2.gz ORSIHLTWVKLOIY-RTHLEPHNSA-N -1 1 380.825 2.869 20 5 GFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848488253 661654999 /nfs/dbraw/zinc/65/49/99/661654999.db2.gz HPBIISFBPSEQBK-MRVPVSSYSA-N -1 1 396.824 2.643 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848488255 661655183 /nfs/dbraw/zinc/65/51/83/661655183.db2.gz HPBIISFBPSEQBK-QMMMGPOBSA-N -1 1 396.824 2.643 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1SCCS1 ZINC000851846113 661838689 /nfs/dbraw/zinc/83/86/89/661838689.db2.gz ZFJUPRMEXBBBOX-UHFFFAOYSA-N -1 1 386.879 2.862 20 5 GFBDMM CCn1nccc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000851897164 661844840 /nfs/dbraw/zinc/84/48/40/661844840.db2.gz NCBZNKZFKTUBTD-UHFFFAOYSA-N -1 1 379.225 2.597 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)cc1F ZINC000867366464 662545736 /nfs/dbraw/zinc/54/57/36/662545736.db2.gz DZEOIZJKUATLLI-UHFFFAOYSA-N -1 1 382.360 2.871 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000900715843 663720116 /nfs/dbraw/zinc/72/01/16/663720116.db2.gz BDSLJHOBBHROSL-UHFFFAOYSA-N -1 1 392.209 2.773 20 5 GFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000128198079 551347333 /nfs/dbraw/zinc/34/73/33/551347333.db2.gz GLIBZRBNLDGKHI-JSGCOSHPSA-N -1 1 381.479 2.598 20 5 GFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000155015263 551488932 /nfs/dbraw/zinc/48/89/32/551488932.db2.gz SOCIDPAHZVMPBR-UHFFFAOYSA-N -1 1 382.452 2.786 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(Br)cccc2C1 ZINC000156070142 551513780 /nfs/dbraw/zinc/51/37/80/551513780.db2.gz UEHASGLUFJOPGL-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000175021797 552114308 /nfs/dbraw/zinc/11/43/08/552114308.db2.gz BWPNEWNKIGEGBO-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000295371424 563244440 /nfs/dbraw/zinc/24/44/40/563244440.db2.gz PUTPOHXWDPTAJV-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM Cc1nnc(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000297248601 563321231 /nfs/dbraw/zinc/32/12/31/563321231.db2.gz XSCAUSZVXMPGNB-UHFFFAOYSA-N -1 1 397.265 2.583 20 5 GFBDMM O=C(c1ccc(Br)cc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373250310 563333457 /nfs/dbraw/zinc/33/34/57/563333457.db2.gz OXTYRPVBDKHHQK-UHFFFAOYSA-N -1 1 395.213 2.737 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330649035 563515198 /nfs/dbraw/zinc/51/51/98/563515198.db2.gz GWOGNXDJIFEOOR-BMIGLBTASA-N -1 1 390.845 2.648 20 5 GFBDMM COCc1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cs1 ZINC000290182086 563700880 /nfs/dbraw/zinc/70/08/80/563700880.db2.gz QYVXKHDLOBDOQH-UHFFFAOYSA-N -1 1 391.858 2.638 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443290864 563799153 /nfs/dbraw/zinc/79/91/53/563799153.db2.gz ZNFHCJFIJGTECM-NSHDSACASA-N -1 1 392.767 2.538 20 5 GFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH][n-]c(CC)c2Br)c1 ZINC000563977422 564215711 /nfs/dbraw/zinc/21/57/11/564215711.db2.gz GIINPUDBNDUEJM-UHFFFAOYSA-N -1 1 383.202 2.716 20 5 GFBDMM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479237507 564432853 /nfs/dbraw/zinc/43/28/53/564432853.db2.gz JHEAVPPALCFNEU-SECBINFHSA-N -1 1 378.834 2.647 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000545829873 564433255 /nfs/dbraw/zinc/43/32/55/564433255.db2.gz ONCOKTXVCPCBFE-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000519891970 564595415 /nfs/dbraw/zinc/59/54/15/564595415.db2.gz FQWOJQDAWOQLBJ-JTQLQIEISA-N -1 1 384.435 2.685 20 5 GFBDMM O=C(NCc1cc(F)c(F)cc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000520274798 564600849 /nfs/dbraw/zinc/60/08/49/564600849.db2.gz VAVIWEFLDRSUNF-UHFFFAOYSA-N -1 1 388.124 2.666 20 5 GFBDMM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000522423609 564651095 /nfs/dbraw/zinc/65/10/95/564651095.db2.gz VMNKESJVPSCBIC-UHFFFAOYSA-N -1 1 392.209 2.920 20 5 GFBDMM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487138117 564677573 /nfs/dbraw/zinc/67/75/73/564677573.db2.gz OGCMAJZKHCMAHO-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CCN(C2CC2)CC1 ZINC000462459651 564841557 /nfs/dbraw/zinc/84/15/57/564841557.db2.gz NOOPUGUETFLLOL-UHFFFAOYSA-N -1 1 394.280 2.807 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000462482311 564842571 /nfs/dbraw/zinc/84/25/71/564842571.db2.gz FUEGNXFTLAIKSV-UHFFFAOYSA-N -1 1 382.269 2.666 20 5 GFBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000533638616 564969300 /nfs/dbraw/zinc/96/93/00/564969300.db2.gz ZLMRWEIQBGPICB-LLVKDONJSA-N -1 1 384.483 2.963 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)c([N+](=O)[O-])n1 ZINC000537749154 565062417 /nfs/dbraw/zinc/06/24/17/565062417.db2.gz MEZDXPIUAVQAKS-UHFFFAOYSA-N -1 1 385.254 2.658 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(Br)c1 ZINC000588144918 565128499 /nfs/dbraw/zinc/12/84/99/565128499.db2.gz ZJJALMPPFJPHCR-JTQLQIEISA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)s1 ZINC000592069791 565253175 /nfs/dbraw/zinc/25/31/75/565253175.db2.gz ZXMQYQWHVSUKRK-JTQLQIEISA-N -1 1 386.476 2.878 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592109301 565257364 /nfs/dbraw/zinc/25/73/64/565257364.db2.gz YTSQOHVQGFLDPV-FXPVBKGRSA-N -1 1 375.244 2.824 20 5 GFBDMM O=C(NCCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609710885 566051056 /nfs/dbraw/zinc/05/10/56/566051056.db2.gz PGODKUTXAJAJAM-UHFFFAOYSA-N -1 1 398.188 2.960 20 5 GFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC)s1 ZINC000611207147 566120512 /nfs/dbraw/zinc/12/05/12/566120512.db2.gz HWLISIJRCPYIIP-UHFFFAOYSA-N -1 1 382.423 2.987 20 5 GFBDMM O=c1c(-c2nn[n-]n2)cn(Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc12 ZINC000738372408 598721853 /nfs/dbraw/zinc/72/18/53/598721853.db2.gz PRGREONGWRSQAD-UHFFFAOYSA-N -1 1 382.767 2.792 20 5 GFBDMM CCC(CC)N(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825107603 607660681 /nfs/dbraw/zinc/66/06/81/607660681.db2.gz RFEPMJBBDFIIPC-UHFFFAOYSA-N -1 1 396.473 2.610 20 5 GFBDMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000832777408 604600820 /nfs/dbraw/zinc/60/08/20/604600820.db2.gz LTZLBUDOYYVBRO-HNNXBMFYSA-N -1 1 376.390 2.968 20 5 GFBDMM COc1ccccc1N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000821899513 606645688 /nfs/dbraw/zinc/64/56/88/606645688.db2.gz ZWCFEUHMELWOEO-ZDUSSCGKSA-N -1 1 395.423 2.722 20 5 GFBDMM Cc1ccc(C(=O)C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822224990 606701518 /nfs/dbraw/zinc/70/15/18/606701518.db2.gz ISOHQZNXDBQROZ-UHFFFAOYSA-N -1 1 393.407 2.578 20 5 GFBDMM Cc1ccc(C(=O)C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822224990 606701521 /nfs/dbraw/zinc/70/15/21/606701521.db2.gz ISOHQZNXDBQROZ-UHFFFAOYSA-N -1 1 393.407 2.578 20 5 GFBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 ZINC000817927234 660211913 /nfs/dbraw/zinc/21/19/13/660211913.db2.gz HPRCYFWKFLNHBL-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831597980 660714341 /nfs/dbraw/zinc/71/43/41/660714341.db2.gz UOJRHGXXUWYONK-ZDUSSCGKSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c1Cl ZINC000832581043 660787870 /nfs/dbraw/zinc/78/78/70/660787870.db2.gz ZEKMLKIUCYKQNF-VIFPVBQESA-N -1 1 383.253 2.997 20 5 GFBDMM COc1cc(OC)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000021363450 654527133 /nfs/dbraw/zinc/52/71/33/654527133.db2.gz RUFGJTHOONUQQO-UHFFFAOYSA-N -1 1 388.785 2.772 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000048444879 654707101 /nfs/dbraw/zinc/70/71/01/654707101.db2.gz VJLXIJSLXZVVIU-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C(N)=O ZINC000130637681 654890518 /nfs/dbraw/zinc/89/05/18/654890518.db2.gz UMAVQZXFSLLVQL-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM CCn1c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2ccccc21 ZINC000065974951 654891861 /nfs/dbraw/zinc/89/18/61/654891861.db2.gz MMPKCUILQKORFB-UHFFFAOYSA-N -1 1 380.451 2.547 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000269155893 654999987 /nfs/dbraw/zinc/99/99/87/654999987.db2.gz UVLJLWSJVJJMNW-YGRLFVJLSA-N -1 1 392.886 2.581 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000727113084 655542189 /nfs/dbraw/zinc/54/21/89/655542189.db2.gz JZWQXZXCPSZZMD-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751390813 655826245 /nfs/dbraw/zinc/82/62/45/655826245.db2.gz HBOMXNRFQRWKGC-LKFCYVNXSA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751390816 655826297 /nfs/dbraw/zinc/82/62/97/655826297.db2.gz HBOMXNRFQRWKGC-OTYXRUKQSA-N -1 1 388.804 2.788 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000751990535 655838144 /nfs/dbraw/zinc/83/81/44/655838144.db2.gz IHZLHFJWOGKIGJ-UHFFFAOYSA-N -1 1 382.266 2.769 20 5 GFBDMM CSc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1 ZINC000782515503 657154164 /nfs/dbraw/zinc/15/41/64/657154164.db2.gz DACQANRQFYVDGS-UHFFFAOYSA-N -1 1 394.887 2.609 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000795881411 658866598 /nfs/dbraw/zinc/86/65/98/658866598.db2.gz MJKXCDUMKTVHHG-SSDOTTSWSA-N -1 1 399.263 2.670 20 5 GFBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1 ZINC000795902942 658869549 /nfs/dbraw/zinc/86/95/49/658869549.db2.gz TVZCGLTUDGXYIY-SSDOTTSWSA-N -1 1 391.812 2.668 20 5 GFBDMM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000800966572 659359848 /nfs/dbraw/zinc/35/98/48/659359848.db2.gz LTIUQAONEBTIBK-HNNXBMFYSA-N -1 1 384.841 2.877 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000805136713 659748469 /nfs/dbraw/zinc/74/84/69/659748469.db2.gz OJWUVVRJMJKGKL-CYBMUJFWSA-N -1 1 388.804 2.789 20 5 GFBDMM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC ZINC000809812178 659940942 /nfs/dbraw/zinc/94/09/42/659940942.db2.gz BAXIAJRENRIULU-GFCCVEGCSA-N -1 1 385.225 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000809818793 659941921 /nfs/dbraw/zinc/94/19/21/659941921.db2.gz JLZOJNVEIYPKTR-CYBMUJFWSA-N -1 1 392.767 2.538 20 5 GFBDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828188 659945320 /nfs/dbraw/zinc/94/53/20/659945320.db2.gz HRBNGJNCVGOCBR-UHFFFAOYSA-N -1 1 385.269 2.979 20 5 GFBDMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845703 659948740 /nfs/dbraw/zinc/94/87/40/659948740.db2.gz SSMCHJMLIVYUIV-BDAKNGLRSA-N -1 1 383.253 2.853 20 5 GFBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000815016090 660101726 /nfs/dbraw/zinc/10/17/26/660101726.db2.gz YDNLJKSRFUXPIY-SECBINFHSA-N -1 1 388.804 2.919 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000815025679 660103606 /nfs/dbraw/zinc/10/36/06/660103606.db2.gz XMCSJSFILNSZOA-KDDOJWQBSA-N -1 1 378.809 2.623 20 5 GFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OCC1CC1 ZINC000841561267 661301798 /nfs/dbraw/zinc/30/17/98/661301798.db2.gz SXOGQRHBRZTDHW-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000845988937 661519189 /nfs/dbraw/zinc/51/91/89/661519189.db2.gz CKORCRPSYQRDGS-ZYHUDNBSSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412169 661718536 /nfs/dbraw/zinc/71/85/36/661718536.db2.gz HFUQTMYGSCZMDY-SECBINFHSA-N -1 1 379.841 2.538 20 5 GFBDMM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849412567 661719035 /nfs/dbraw/zinc/71/90/35/661719035.db2.gz RTMVXZCPOXYWNC-SECBINFHSA-N -1 1 379.841 2.538 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)s1 ZINC000066327771 551186202 /nfs/dbraw/zinc/18/62/02/551186202.db2.gz WWDGKCFZSFUXSF-UHFFFAOYSA-N -1 1 382.463 2.683 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000066333808 551186470 /nfs/dbraw/zinc/18/64/70/551186470.db2.gz UOJRRNNKZLRHFC-SWLSCSKDSA-N -1 1 386.426 2.994 20 5 GFBDMM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000156556198 551525201 /nfs/dbraw/zinc/52/52/01/551525201.db2.gz LCKKSZCDUWPQRL-CQSZACIVSA-N -1 1 384.841 2.823 20 5 GFBDMM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181506738 552258776 /nfs/dbraw/zinc/25/87/76/552258776.db2.gz RBBPYAGCJQPDJQ-UHFFFAOYSA-N -1 1 386.861 2.510 20 5 GFBDMM O=C(NCCCc1ccc(Br)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185676079 552368693 /nfs/dbraw/zinc/36/86/93/552368693.db2.gz UWHMTIQDKQOYGV-UHFFFAOYSA-N -1 1 398.188 2.960 20 5 GFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc2C1 ZINC000191598250 552532474 /nfs/dbraw/zinc/53/24/74/552532474.db2.gz KADFYRSHRGCSQP-UHFFFAOYSA-N -1 1 378.182 2.656 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(Cl)cc1Cl ZINC000377883761 563489991 /nfs/dbraw/zinc/48/99/91/563489991.db2.gz LABPNKVXRIXFJB-NYRNMGCKSA-N -1 1 381.237 2.747 20 5 GFBDMM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512780280 564410534 /nfs/dbraw/zinc/41/05/34/564410534.db2.gz YXKPVNLXNUMVJR-TZMCWYRMSA-N -1 1 381.479 2.770 20 5 GFBDMM C[NH+](C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976628 564582125 /nfs/dbraw/zinc/58/21/25/564582125.db2.gz DCOFCHIMAITHPY-AWEZNQCLSA-N -1 1 383.857 2.829 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525688071 564705367 /nfs/dbraw/zinc/70/53/67/564705367.db2.gz NMOVVMPUIXBZAU-VXGBXAGGSA-N -1 1 398.238 2.587 20 5 GFBDMM O=C(NCc1cc(F)c(F)cc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553247544 564713470 /nfs/dbraw/zinc/71/34/70/564713470.db2.gz FHVSKTZIPDYSLZ-UHFFFAOYSA-N -1 1 388.124 2.666 20 5 GFBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(I)ccc1[O-] ZINC000557721347 564873233 /nfs/dbraw/zinc/87/32/33/564873233.db2.gz XUVJMOGZRKYNJR-UHFFFAOYSA-N -1 1 398.156 2.835 20 5 GFBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592109370 565257018 /nfs/dbraw/zinc/25/70/18/565257018.db2.gz AJGSQCMILVSDGH-IONNQARKSA-N -1 1 381.273 2.530 20 5 GFBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000594850815 565429388 /nfs/dbraw/zinc/42/93/88/565429388.db2.gz FWUZBCXPEJYMIZ-KOLCDFICSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)Sc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229540 565662520 /nfs/dbraw/zinc/66/25/20/565662520.db2.gz FHCIYHDUQTYTTO-LLVKDONJSA-N -1 1 384.483 2.868 20 5 GFBDMM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021685 566111392 /nfs/dbraw/zinc/11/13/92/566111392.db2.gz AZEKZUYKGNUGPH-SMDDNHRTSA-N -1 1 384.841 2.691 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611469395 566131272 /nfs/dbraw/zinc/13/12/72/566131272.db2.gz WDVWOIRLKNEJTF-BXKDBHETSA-N -1 1 393.259 2.593 20 5 GFBDMM COc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)c2c1 ZINC000821849805 607346557 /nfs/dbraw/zinc/34/65/57/607346557.db2.gz RAKXHKPVAHUTKA-UHFFFAOYSA-N -1 1 379.380 2.919 20 5 GFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000519201748 600006338 /nfs/dbraw/zinc/00/63/38/600006338.db2.gz CMKYYVOTJQLZBK-UHFFFAOYSA-N -1 1 380.378 2.665 20 5 GFBDMM CCCc1[nH]nc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[N+](=O)[O-] ZINC000737039349 600104764 /nfs/dbraw/zinc/10/47/64/600104764.db2.gz ZALZVVJIYJBJMG-UHFFFAOYSA-N -1 1 397.391 2.648 20 5 GFBDMM O=C([O-])c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000739260245 600116977 /nfs/dbraw/zinc/11/69/77/600116977.db2.gz NVWSHNXPGWQHJV-UHFFFAOYSA-N -1 1 381.348 2.649 20 5 GFBDMM CCC[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000829203140 600703379 /nfs/dbraw/zinc/70/33/79/600703379.db2.gz UXGJFXILPQFPDG-LBPRGKRZSA-N -1 1 385.225 2.823 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000832097963 602308695 /nfs/dbraw/zinc/30/86/95/602308695.db2.gz QKIRXZMOGYIIGI-UHFFFAOYSA-N -1 1 381.366 2.518 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826292164 607580593 /nfs/dbraw/zinc/58/05/93/607580593.db2.gz KNUKFIDQKSHNKO-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000823624922 606704066 /nfs/dbraw/zinc/70/40/66/606704066.db2.gz KYKJTYNMJLYLHY-UHFFFAOYSA-N -1 1 384.787 2.959 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000823624922 606704068 /nfs/dbraw/zinc/70/40/68/606704068.db2.gz KYKJTYNMJLYLHY-UHFFFAOYSA-N -1 1 384.787 2.959 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OCC(F)(F)F)c1 ZINC000823624574 607168130 /nfs/dbraw/zinc/16/81/30/607168130.db2.gz DBBRJUNWQSUCFG-UHFFFAOYSA-N -1 1 381.274 2.855 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OCC(F)(F)F)c1 ZINC000823624574 607168132 /nfs/dbraw/zinc/16/81/32/607168132.db2.gz DBBRJUNWQSUCFG-UHFFFAOYSA-N -1 1 381.274 2.855 20 5 GFBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825673749 608204591 /nfs/dbraw/zinc/20/45/91/608204591.db2.gz ADYXNBQPVWKXJV-UHFFFAOYSA-N -1 1 386.393 2.845 20 5 GFBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000129254338 654861377 /nfs/dbraw/zinc/86/13/77/654861377.db2.gz ZNLHGAFHGQBUQS-MRVPVSSYSA-N -1 1 383.289 2.777 20 5 GFBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000268458761 654972818 /nfs/dbraw/zinc/97/28/18/654972818.db2.gz DIEPJISWXUQSKU-UHFFFAOYSA-N -1 1 387.215 2.759 20 5 GFBDMM COc1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1[N+](=O)[O-] ZINC000135235368 655012018 /nfs/dbraw/zinc/01/20/18/655012018.db2.gz TVQUQXPGBATYPE-UHFFFAOYSA-N -1 1 388.199 2.562 20 5 GFBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000273547375 655147658 /nfs/dbraw/zinc/14/76/58/655147658.db2.gz CGDIHZBMJQRXRS-ZETCQYMHSA-N -1 1 376.847 2.756 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000115584430 655239201 /nfs/dbraw/zinc/23/92/01/655239201.db2.gz HGHFPFYOCSNJRU-NSHDSACASA-N -1 1 391.421 2.516 20 5 GFBDMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000178197568 655299634 /nfs/dbraw/zinc/29/96/34/655299634.db2.gz WGDMZKZFFPTVEK-UHFFFAOYSA-N -1 1 383.813 2.878 20 5 GFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000728297214 655554470 /nfs/dbraw/zinc/55/44/70/655554470.db2.gz DOZQPHTXZFRBIR-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000760919436 655994793 /nfs/dbraw/zinc/99/47/93/655994793.db2.gz DEUJWFXSKNSYDD-CYBMUJFWSA-N -1 1 386.191 2.856 20 5 GFBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768806221 656252025 /nfs/dbraw/zinc/25/20/25/656252025.db2.gz UGNWZFAAGSGAMX-UHFFFAOYSA-N -1 1 386.451 2.932 20 5 GFBDMM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768835044 656254331 /nfs/dbraw/zinc/25/43/31/656254331.db2.gz MEDFNKYZSCPYBD-CYBMUJFWSA-N -1 1 384.435 2.629 20 5 GFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccccc1Br ZINC000769045698 656263790 /nfs/dbraw/zinc/26/37/90/656263790.db2.gz CUQRFNXVAJAEOM-UHFFFAOYSA-N -1 1 395.165 2.858 20 5 GFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1nccn2c(Br)cnc12 ZINC000770263654 656313034 /nfs/dbraw/zinc/31/30/34/656313034.db2.gz NAYAKMSTJPRSID-UHFFFAOYSA-N -1 1 398.123 2.931 20 5 GFBDMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784372283 657303836 /nfs/dbraw/zinc/30/38/36/657303836.db2.gz DKAXOLIBVJGNRC-LBPRGKRZSA-N -1 1 388.829 2.767 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000784477328 657312079 /nfs/dbraw/zinc/31/20/79/657312079.db2.gz ZIYLZSRUXFHALP-JTQLQIEISA-N -1 1 390.751 2.938 20 5 GFBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000790909733 658043674 /nfs/dbraw/zinc/04/36/74/658043674.db2.gz SXAQGKUGSAAMMB-OAHLLOKOSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000809830463 659946138 /nfs/dbraw/zinc/94/61/38/659946138.db2.gz YCJYVNLFPMQNRO-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)cc1Cl ZINC000809846686 659948709 /nfs/dbraw/zinc/94/87/09/659948709.db2.gz LTBUBCHEXKUNLF-SECBINFHSA-N -1 1 386.788 2.842 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000815020716 660102486 /nfs/dbraw/zinc/10/24/86/660102486.db2.gz DHYNXLLGOSCPTG-KGLIPLIRSA-N -1 1 380.825 2.607 20 5 GFBDMM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000815034049 660104831 /nfs/dbraw/zinc/10/48/31/660104831.db2.gz BQWXLBKSADYVRJ-MZBZXASESA-N -1 1 394.808 2.564 20 5 GFBDMM CC(C)(C)OC(=O)NCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000817147990 660183719 /nfs/dbraw/zinc/18/37/19/660183719.db2.gz ZMFUYNNWJANWBN-UHFFFAOYSA-N -1 1 393.487 2.628 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSCCC(F)(F)F ZINC000867786126 662575034 /nfs/dbraw/zinc/57/50/34/662575034.db2.gz KLXRETGOWBVBBF-UHFFFAOYSA-N -1 1 376.353 2.698 20 5 GFBDMM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000872655725 662783468 /nfs/dbraw/zinc/78/34/68/662783468.db2.gz GNHVTSSHGLVAMY-FEUBCLPYSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000171424154 551654989 /nfs/dbraw/zinc/65/49/89/551654989.db2.gz QKAGXWHHBCPFOH-LLVKDONJSA-N -1 1 399.222 2.769 20 5 GFBDMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443159218 563793676 /nfs/dbraw/zinc/79/36/76/563793676.db2.gz SPUAYBJDBJUHEB-JQWIXIFHSA-N -1 1 393.259 2.593 20 5 GFBDMM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330649054 563515544 /nfs/dbraw/zinc/51/55/44/563515544.db2.gz GWOGNXDJIFEOOR-MEBBXXQBSA-N -1 1 390.845 2.648 20 5 GFBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)no1 ZINC000432298937 563580038 /nfs/dbraw/zinc/58/00/38/563580038.db2.gz OEVIYMPXVRKCLF-AWEZNQCLSA-N -1 1 386.817 2.543 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000289875267 563689246 /nfs/dbraw/zinc/68/92/46/563689246.db2.gz OATMTSQSQOHWFZ-NOZJJQNGSA-N -1 1 378.809 2.623 20 5 GFBDMM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1Br ZINC000414470179 563742689 /nfs/dbraw/zinc/74/26/89/563742689.db2.gz LCGQTXCQYFRDFR-UHFFFAOYSA-N -1 1 389.231 2.806 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H](CO)c2ccccc21 ZINC000364893639 563767814 /nfs/dbraw/zinc/76/78/14/563767814.db2.gz IMXZSMAUBPUZNS-HZMBPMFUSA-N -1 1 382.825 2.747 20 5 GFBDMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000510410133 564332788 /nfs/dbraw/zinc/33/27/88/564332788.db2.gz GQYNGJXMDNYBTA-UHFFFAOYSA-N -1 1 390.845 2.648 20 5 GFBDMM COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000544640139 564391853 /nfs/dbraw/zinc/39/18/53/564391853.db2.gz QAGAHYCMXBCBRL-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)s1 ZINC000480966728 564498366 /nfs/dbraw/zinc/49/83/66/564498366.db2.gz UPLXSDODPODPLQ-UHFFFAOYSA-N -1 1 382.341 2.875 20 5 GFBDMM CCSCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499710730 564934652 /nfs/dbraw/zinc/93/46/52/564934652.db2.gz UVGILAOAGWJMCK-UHFFFAOYSA-N -1 1 383.289 2.779 20 5 GFBDMM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000468959165 565000914 /nfs/dbraw/zinc/00/09/14/565000914.db2.gz LNTDBMNNKUUFSB-UHFFFAOYSA-N -1 1 383.432 2.505 20 5 GFBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000591260906 565219838 /nfs/dbraw/zinc/21/98/38/565219838.db2.gz POHPQTYMPRUNGB-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594851257 565429101 /nfs/dbraw/zinc/42/91/01/565429101.db2.gz ILJLSPSPGJUVEJ-JTQLQIEISA-N -1 1 385.186 2.681 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c(Br)c1 ZINC000601523516 565789546 /nfs/dbraw/zinc/78/95/46/565789546.db2.gz WGLLVARVLZISTM-HTRCEHHLSA-N -1 1 389.149 2.586 20 5 GFBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl)OCCO2 ZINC000609117542 566030784 /nfs/dbraw/zinc/03/07/84/566030784.db2.gz USDSVOBRUQDRSP-UHFFFAOYSA-N -1 1 388.760 2.959 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)s1 ZINC000609766891 566052141 /nfs/dbraw/zinc/05/21/41/566052141.db2.gz DQEVUWMUVJFTIZ-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000610266460 566074561 /nfs/dbraw/zinc/07/45/61/566074561.db2.gz WWMINJQCKCDPHU-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000610728822 566094828 /nfs/dbraw/zinc/09/48/28/566094828.db2.gz WRKJFJFQFNKFHN-UHFFFAOYSA-N -1 1 396.172 2.796 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611469397 566131349 /nfs/dbraw/zinc/13/13/49/566131349.db2.gz WDVWOIRLKNEJTF-JOYOIKCWSA-N -1 1 393.259 2.593 20 5 GFBDMM CN(Cc1ccc(Br)o1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821609780 607346252 /nfs/dbraw/zinc/34/62/52/607346252.db2.gz LMMATAVLVPJPQO-UHFFFAOYSA-N -1 1 379.174 2.767 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000776458324 602317460 /nfs/dbraw/zinc/31/74/60/602317460.db2.gz JSIDIIZUJILHOK-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826292896 607580518 /nfs/dbraw/zinc/58/05/18/607580518.db2.gz RCURNXJXWBJUEM-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826292896 607580519 /nfs/dbraw/zinc/58/05/19/607580519.db2.gz RCURNXJXWBJUEM-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000833423753 605298545 /nfs/dbraw/zinc/29/85/45/605298545.db2.gz JMZOYFBMBLEZQU-LLVKDONJSA-N -1 1 398.359 2.938 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000834187094 605448978 /nfs/dbraw/zinc/44/89/78/605448978.db2.gz YHDWAHDKHICUEU-AEGPPILISA-N -1 1 387.396 2.513 20 5 GFBDMM O=C([O-])N1CCC2(CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000834091592 605903531 /nfs/dbraw/zinc/90/35/31/605903531.db2.gz FMMBLONDVFFLOX-UHFFFAOYSA-N -1 1 387.396 2.611 20 5 GFBDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000819972031 606127430 /nfs/dbraw/zinc/12/74/30/606127430.db2.gz XSXQKYVVWQJAAO-UHFFFAOYSA-N -1 1 390.791 2.632 20 5 GFBDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000819972031 606127432 /nfs/dbraw/zinc/12/74/32/606127432.db2.gz XSXQKYVVWQJAAO-UHFFFAOYSA-N -1 1 390.791 2.632 20 5 GFBDMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000822221340 606331621 /nfs/dbraw/zinc/33/16/21/606331621.db2.gz KXTLCIWUGCKGII-UHFFFAOYSA-N -1 1 388.409 2.501 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(C(F)(F)F)cc1 ZINC000823624773 606699934 /nfs/dbraw/zinc/69/99/34/606699934.db2.gz JABATPBVIZUFAD-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(C(F)(F)F)cc1 ZINC000823624773 606699936 /nfs/dbraw/zinc/69/99/36/606699936.db2.gz JABATPBVIZUFAD-UHFFFAOYSA-N -1 1 395.301 2.680 20 5 GFBDMM COc1ccc(CC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000821790816 606704992 /nfs/dbraw/zinc/70/49/92/606704992.db2.gz VJLKNNUCAQACIF-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM COc1ccc(CC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821790816 606704993 /nfs/dbraw/zinc/70/49/93/606704993.db2.gz VJLKNNUCAQACIF-UHFFFAOYSA-N -1 1 395.423 2.638 20 5 GFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826472978 607837869 /nfs/dbraw/zinc/83/78/69/607837869.db2.gz FOZKRVRLWDSVJQ-UHFFFAOYSA-N -1 1 394.391 2.580 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC(C)(C)C ZINC000830872430 660684005 /nfs/dbraw/zinc/68/40/05/660684005.db2.gz HGYXBPNOGKSBJF-SSDOTTSWSA-N -1 1 399.252 2.910 20 5 GFBDMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832463375 660781374 /nfs/dbraw/zinc/78/13/74/660781374.db2.gz YFQNMMSKUKNQKY-MRVPVSSYSA-N -1 1 393.252 2.545 20 5 GFBDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832621480 660790197 /nfs/dbraw/zinc/79/01/97/660790197.db2.gz WOSDEXMYVDTSGU-UHFFFAOYSA-N -1 1 385.269 2.977 20 5 GFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000030015016 654582042 /nfs/dbraw/zinc/58/20/42/654582042.db2.gz QQQQGFHGCAQWDA-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000031669430 654598025 /nfs/dbraw/zinc/59/80/25/654598025.db2.gz PMPMAXZGBXDJHS-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000044572803 654659888 /nfs/dbraw/zinc/65/98/88/654659888.db2.gz PCFVKRDFFSEXJN-JTQLQIEISA-N -1 1 375.244 2.992 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127788897 654834077 /nfs/dbraw/zinc/83/40/77/654834077.db2.gz WPRCTSPJXYJBMD-FZMZJTMJSA-N -1 1 376.862 2.858 20 5 GFBDMM CCc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000102413170 655054798 /nfs/dbraw/zinc/05/47/98/655054798.db2.gz BOHOFLUJWUAQNE-UHFFFAOYSA-N -1 1 375.859 2.788 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)s1 ZINC000102775693 655060576 /nfs/dbraw/zinc/06/05/76/655060576.db2.gz PQKZCJFQGBYOGA-LLVKDONJSA-N -1 1 387.508 2.833 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153931919 655072001 /nfs/dbraw/zinc/07/20/01/655072001.db2.gz AFQBTXZFXNGFDP-HNNXBMFYSA-N -1 1 388.804 2.573 20 5 GFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000163824793 655136380 /nfs/dbraw/zinc/13/63/80/655136380.db2.gz BWNZJIUAPCCUJR-VIFPVBQESA-N -1 1 383.289 2.777 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000168608373 655143048 /nfs/dbraw/zinc/14/30/48/655143048.db2.gz WXVMDEHNVPRZQP-UHFFFAOYSA-N -1 1 376.163 2.692 20 5 GFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000171074551 655148321 /nfs/dbraw/zinc/14/83/21/655148321.db2.gz AJQGTNKQCXVEPO-UHFFFAOYSA-N -1 1 385.785 2.677 20 5 GFBDMM CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119593739 655308262 /nfs/dbraw/zinc/30/82/62/655308262.db2.gz QZZFOCNHRLVQNL-UHFFFAOYSA-N -1 1 383.451 2.873 20 5 GFBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1F ZINC000740700946 655698300 /nfs/dbraw/zinc/69/83/00/655698300.db2.gz MUCCCSZIPTZNKT-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1c(F)cccc1Cl ZINC000751474716 655829240 /nfs/dbraw/zinc/82/92/40/655829240.db2.gz KYSLTUHGAAHLFU-UHLUBPPHSA-N -1 1 394.833 2.849 20 5 GFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778383725 656879702 /nfs/dbraw/zinc/87/97/02/656879702.db2.gz YBLTUKNLEPINGP-UHFFFAOYSA-N -1 1 390.328 2.808 20 5 GFBDMM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000792783826 658322086 /nfs/dbraw/zinc/32/20/86/658322086.db2.gz OSDSFLAQMCTIJE-DTWKUNHWSA-N -1 1 387.849 2.919 20 5 GFBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000792783826 658322096 /nfs/dbraw/zinc/32/20/96/658322096.db2.gz OSDSFLAQMCTIJE-DTWKUNHWSA-N -1 1 387.849 2.919 20 5 GFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)C[C@@H]2CCCOC2)ccc1Br ZINC000795344536 658808789 /nfs/dbraw/zinc/80/87/89/658808789.db2.gz CIWPJVDTOKSLIX-SECBINFHSA-N -1 1 379.232 2.526 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)cc1Cl ZINC000809807782 659940159 /nfs/dbraw/zinc/94/01/59/659940159.db2.gz SKNYXGDZTQUELR-SNVBAGLBSA-N -1 1 386.788 2.669 20 5 GFBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809818454 659942053 /nfs/dbraw/zinc/94/20/53/659942053.db2.gz DFXHUXNKFQGOQV-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819163 659942380 /nfs/dbraw/zinc/94/23/80/659942380.db2.gz NZBXMKXWMJQDBV-SDBXPKJASA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ncccc2F)c(Cl)cc1Cl ZINC000809827748 659945015 /nfs/dbraw/zinc/94/50/15/659945015.db2.gz CKXQWHLJXVIPBL-UHFFFAOYSA-N -1 1 380.184 2.914 20 5 GFBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809832267 659946656 /nfs/dbraw/zinc/94/66/56/659946656.db2.gz ORFQMFZQMOFMBP-VHSXEESVSA-N -1 1 380.825 2.871 20 5 GFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000810105729 659962180 /nfs/dbraw/zinc/96/21/80/659962180.db2.gz FEJKLFLHLZAJAK-CYBMUJFWSA-N -1 1 397.280 2.977 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cs1 ZINC000814982969 660099873 /nfs/dbraw/zinc/09/98/73/660099873.db2.gz WMCUAYMECLYJQQ-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000814991035 660100281 /nfs/dbraw/zinc/10/02/81/660100281.db2.gz PFYMLWVICKMHDV-UHFFFAOYSA-N -1 1 388.804 2.917 20 5 GFBDMM C[C@](CO)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000815014756 660101372 /nfs/dbraw/zinc/10/13/72/660101372.db2.gz AHCIBRUHPWNVPT-OAHLLOKOSA-N -1 1 388.804 2.573 20 5 GFBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017427 660101884 /nfs/dbraw/zinc/10/18/84/660101884.db2.gz LAOWPXNASKTYRB-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000815018193 660102159 /nfs/dbraw/zinc/10/21/59/660102159.db2.gz IYBOMOPEMPKZEP-WZYXQFPFSA-N -1 1 392.836 2.869 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000815027837 660103939 /nfs/dbraw/zinc/10/39/39/660103939.db2.gz LIFUHXDLMSYTBM-YGRLFVJLSA-N -1 1 394.852 2.997 20 5 GFBDMM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036101 660105442 /nfs/dbraw/zinc/10/54/42/660105442.db2.gz OIUKKNRCGALNQM-UHFFFAOYSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c1Cl ZINC000849444139 661725945 /nfs/dbraw/zinc/72/59/45/661725945.db2.gz RDEWHRMXSJZESA-MRVPVSSYSA-N -1 1 391.179 2.604 20 5 GFBDMM CC1(C(=O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000859356271 662156090 /nfs/dbraw/zinc/15/60/90/662156090.db2.gz XEDWCOAKIUVXKO-UHFFFAOYSA-N -1 1 378.809 2.815 20 5 GFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173522447 552087050 /nfs/dbraw/zinc/08/70/50/552087050.db2.gz UFFJMKSPKPOYBU-SECBINFHSA-N -1 1 395.275 2.839 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350824857 563677509 /nfs/dbraw/zinc/67/75/09/563677509.db2.gz QYPPSFHBPYMPEM-SSDOTTSWSA-N -1 1 386.436 2.807 20 5 GFBDMM COc1cc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)cc(Br)c1[O-] ZINC000436875680 563684250 /nfs/dbraw/zinc/68/42/50/563684250.db2.gz WAMDHCRMZPJBHV-UHFFFAOYSA-N -1 1 396.157 2.522 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c(Cl)cc1Cl ZINC000289736999 563684698 /nfs/dbraw/zinc/68/46/98/563684698.db2.gz FOURQKXKXRRIGY-LDYMZIIASA-N -1 1 383.253 2.731 20 5 GFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000566228993 564318513 /nfs/dbraw/zinc/31/85/13/564318513.db2.gz DQIWWWZAIPVUTM-XMMPIXPASA-N -1 1 382.463 2.837 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000543635814 564357224 /nfs/dbraw/zinc/35/72/24/564357224.db2.gz RCWYCFBCLLPFAM-UHFFFAOYSA-N -1 1 383.813 2.765 20 5 GFBDMM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451858615 564359687 /nfs/dbraw/zinc/35/96/87/564359687.db2.gz RXNXDDMBRVQFAZ-RISCZKNCSA-N -1 1 378.878 2.816 20 5 GFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000513819348 564440107 /nfs/dbraw/zinc/44/01/07/564440107.db2.gz VEBKGOXCHHNNCF-UHFFFAOYSA-N -1 1 386.769 2.761 20 5 GFBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cccc(F)c1Cl)OCCO2 ZINC000577141029 564726164 /nfs/dbraw/zinc/72/61/64/564726164.db2.gz WEQPSDGAFIYBBI-UHFFFAOYSA-N -1 1 388.760 2.959 20 5 GFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nc2cc(Cl)ccc2s1 ZINC000532044672 564927817 /nfs/dbraw/zinc/92/78/17/564927817.db2.gz PBVNYUBFTADUNR-UHFFFAOYSA-N -1 1 398.853 2.774 20 5 GFBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000616005768 565183494 /nfs/dbraw/zinc/18/34/94/565183494.db2.gz URHHIIWJONUKQK-SNVBAGLBSA-N -1 1 381.273 2.530 20 5 GFBDMM Cn1cnc([N+](=O)[O-])c1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737618309 598854751 /nfs/dbraw/zinc/85/47/51/598854751.db2.gz FLBFFNOIOAQGND-UHFFFAOYSA-N -1 1 382.409 2.849 20 5 GFBDMM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000485224011 600690390 /nfs/dbraw/zinc/69/03/90/600690390.db2.gz BXHQGQPGVBDLNI-UHFFFAOYSA-N -1 1 392.389 2.933 20 5 GFBDMM O=C([O-])N1CC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000833278357 604420990 /nfs/dbraw/zinc/42/09/90/604420990.db2.gz LWWVBOIBUDKAEH-UHFFFAOYSA-N -1 1 393.403 2.899 20 5 GFBDMM O=C([O-])N1CCC2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)CC1 ZINC000834091723 605396361 /nfs/dbraw/zinc/39/63/61/605396361.db2.gz HKOOBLSHERUQGA-UHFFFAOYSA-N -1 1 385.424 2.882 20 5 GFBDMM COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000833887340 605547071 /nfs/dbraw/zinc/54/70/71/605547071.db2.gz PLJBHYCKCPKJNG-PBWFPOADSA-N -1 1 379.413 2.717 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OCc2cccnc2)c1 ZINC000823630483 606700859 /nfs/dbraw/zinc/70/08/59/606700859.db2.gz XVGNRELOFQAPGM-UHFFFAOYSA-N -1 1 390.363 2.888 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OCc2cccnc2)c1 ZINC000823630483 606700861 /nfs/dbraw/zinc/70/08/61/606700861.db2.gz XVGNRELOFQAPGM-UHFFFAOYSA-N -1 1 390.363 2.888 20 5 GFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000820281949 606712731 /nfs/dbraw/zinc/71/27/31/606712731.db2.gz ZRATVNIMYWSPAT-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000820281949 606712732 /nfs/dbraw/zinc/71/27/32/606712732.db2.gz ZRATVNIMYWSPAT-SECBINFHSA-N -1 1 375.776 2.703 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSCc1ccccc1F ZINC000823624759 607165358 /nfs/dbraw/zinc/16/53/58/607165358.db2.gz IOBLYDROEFUPSG-UHFFFAOYSA-N -1 1 375.389 2.654 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCSCc1ccccc1F ZINC000823624759 607165359 /nfs/dbraw/zinc/16/53/59/607165359.db2.gz IOBLYDROEFUPSG-UHFFFAOYSA-N -1 1 375.389 2.654 20 5 GFBDMM COC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000841541546 661294528 /nfs/dbraw/zinc/29/45/28/661294528.db2.gz UINJOBJOELIRJT-UHFFFAOYSA-N -1 1 393.259 2.593 20 5 GFBDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830754957 660678203 /nfs/dbraw/zinc/67/82/03/660678203.db2.gz RTUOXBOJDITOLT-DTWKUNHWSA-N -1 1 385.269 2.977 20 5 GFBDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830860059 660683779 /nfs/dbraw/zinc/68/37/79/660683779.db2.gz QZZLBEPLGDPGTE-RKDXNWHRSA-N -1 1 383.253 2.995 20 5 GFBDMM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832410173 660778315 /nfs/dbraw/zinc/77/83/15/660778315.db2.gz HQUYSCQEIJNQNN-QMMMGPOBSA-N -1 1 376.797 2.643 20 5 GFBDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524444 660784243 /nfs/dbraw/zinc/78/42/43/660784243.db2.gz OJBRJOKPMLHKKX-MADCSZMMSA-N -1 1 383.253 2.993 20 5 GFBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC000836778745 660944172 /nfs/dbraw/zinc/94/41/72/660944172.db2.gz JVNHKFHMSNELAA-UHFFFAOYSA-N -1 1 384.801 2.766 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2Br)s1 ZINC000060922367 654834397 /nfs/dbraw/zinc/83/43/97/654834397.db2.gz UVAPPYOYRZBJHI-UHFFFAOYSA-N -1 1 391.268 2.940 20 5 GFBDMM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000103157194 655067817 /nfs/dbraw/zinc/06/78/17/655067817.db2.gz CODFSRXQHXGWSK-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000273631953 655151714 /nfs/dbraw/zinc/15/17/14/655151714.db2.gz SMVCPAFBTTZGCQ-ZCFIWIBFSA-N -1 1 396.372 2.813 20 5 GFBDMM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000172998389 655161836 /nfs/dbraw/zinc/16/18/36/655161836.db2.gz HFFYTXXWMUPFJR-UHFFFAOYSA-N -1 1 392.256 2.601 20 5 GFBDMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000115313281 655234765 /nfs/dbraw/zinc/23/47/65/655234765.db2.gz AAVJVPKGCCJVLI-HSZRJFAPSA-N -1 1 388.854 2.928 20 5 GFBDMM Cc1sc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000118980316 655285633 /nfs/dbraw/zinc/28/56/33/655285633.db2.gz GJPWEOKBYUPPIL-UHFFFAOYSA-N -1 1 375.815 2.518 20 5 GFBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000728294292 655554344 /nfs/dbraw/zinc/55/43/44/655554344.db2.gz INTVPHNGWBDMQP-SNVBAGLBSA-N -1 1 384.435 2.775 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000751372353 655825802 /nfs/dbraw/zinc/82/58/02/655825802.db2.gz NPCAXGMPPFHTJU-CYBMUJFWSA-N -1 1 376.862 2.858 20 5 GFBDMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751401434 655826409 /nfs/dbraw/zinc/82/64/09/655826409.db2.gz AGEORPPNHWOHAK-RISCZKNCSA-N -1 1 384.841 2.691 20 5 GFBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000753374802 655853272 /nfs/dbraw/zinc/85/32/72/655853272.db2.gz XLZRZARRHDHHRS-GFCCVEGCSA-N -1 1 378.834 2.504 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccco1 ZINC000757725282 655915692 /nfs/dbraw/zinc/91/56/92/655915692.db2.gz JEKHYJBCTMJFSB-UHFFFAOYSA-N -1 1 379.163 2.568 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762529102 656046565 /nfs/dbraw/zinc/04/65/65/656046565.db2.gz ZXBFWUUFGLHYAC-XWIASGKRSA-N -1 1 394.927 2.906 20 5 GFBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000768812241 656252286 /nfs/dbraw/zinc/25/22/86/656252286.db2.gz JFMXGBONTCAEDY-LBPRGKRZSA-N -1 1 384.435 2.857 20 5 GFBDMM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768853452 656256341 /nfs/dbraw/zinc/25/63/41/656256341.db2.gz MYXPNWCUOHKWJL-UHFFFAOYSA-N -1 1 394.377 2.745 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000805123581 659745187 /nfs/dbraw/zinc/74/51/87/659745187.db2.gz PZLCZJQXOLZQCZ-UHFFFAOYSA-N -1 1 381.223 2.918 20 5 GFBDMM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809812163 659940978 /nfs/dbraw/zinc/94/09/78/659940978.db2.gz ZFCXVMYLHWAZSH-ZCFIWIBFSA-N -1 1 394.730 2.633 20 5 GFBDMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809814679 659941414 /nfs/dbraw/zinc/94/14/14/659941414.db2.gz XILUJCKLZKTMES-UHFFFAOYSA-N -1 1 399.643 2.767 20 5 GFBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809819546 659942286 /nfs/dbraw/zinc/94/22/86/659942286.db2.gz WUIDWMJQJXFAKG-SECBINFHSA-N -1 1 388.804 2.919 20 5 GFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H]2CCO[C@@H]21 ZINC000809820929 659942906 /nfs/dbraw/zinc/94/29/06/659942906.db2.gz FMVNBRAXDCDAQA-BLBGDKDGSA-N -1 1 395.264 2.993 20 5 GFBDMM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826042 659944669 /nfs/dbraw/zinc/94/46/69/659944669.db2.gz XIGJEAQHNJOXJN-UHFFFAOYSA-N -1 1 391.808 2.903 20 5 GFBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830196 659946109 /nfs/dbraw/zinc/94/61/09/659946109.db2.gz OSQJOVMTQKSBID-QMMMGPOBSA-N -1 1 399.252 2.768 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000815047135 660106955 /nfs/dbraw/zinc/10/69/55/660106955.db2.gz KKXVRLLXHMUSRM-RFAUZJTJSA-N -1 1 388.804 2.788 20 5 GFBDMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000846010547 661521717 /nfs/dbraw/zinc/52/17/17/661521717.db2.gz QPHBHMNBTLXTOM-MRVPVSSYSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c(Cl)cc1Cl ZINC000849443623 661726033 /nfs/dbraw/zinc/72/60/33/661726033.db2.gz HHVDOCKNJCGQHD-SNVBAGLBSA-N -1 1 391.179 2.604 20 5 GFBDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859341122 662154009 /nfs/dbraw/zinc/15/40/09/662154009.db2.gz MBDLBBPPUQVGAL-ZYPMPIKKSA-N -1 1 383.253 2.992 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c(Cl)cc1Cl ZINC000859367389 662156855 /nfs/dbraw/zinc/15/68/55/662156855.db2.gz FIFVLLVNEWANPN-UFBFGSQYSA-N -1 1 381.237 2.747 20 5 GFBDMM COC[C@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901867129 663748575 /nfs/dbraw/zinc/74/85/75/663748575.db2.gz ZZXDSLHRAISZFZ-HNNXBMFYSA-N -1 1 387.230 2.671 20 5 GFBDMM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333987 551186224 /nfs/dbraw/zinc/18/62/24/551186224.db2.gz GCGJDVPWVULGQU-MRVPVSSYSA-N -1 1 378.378 2.680 20 5 GFBDMM COc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000193361257 552991175 /nfs/dbraw/zinc/99/11/75/552991175.db2.gz VFUFEMLRKUAYPG-MRVPVSSYSA-N -1 1 396.197 2.958 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3scnc3c2)c1 ZINC000432178339 563576354 /nfs/dbraw/zinc/57/63/54/563576354.db2.gz QGPNZUSGPUGDQX-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC000439126893 563717608 /nfs/dbraw/zinc/71/76/08/563717608.db2.gz GGNRCYHHHNWVKX-UHFFFAOYSA-N -1 1 375.309 2.755 20 5 GFBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000292793817 563795860 /nfs/dbraw/zinc/79/58/60/563795860.db2.gz LUHOMKPZSUEKCB-SNVBAGLBSA-N -1 1 381.357 2.942 20 5 GFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938004 563815467 /nfs/dbraw/zinc/81/54/67/563815467.db2.gz VGPNPHUXSYSTQD-JMCQJSRRSA-N -1 1 388.339 2.998 20 5 GFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1[N+](=O)[O-] ZINC000508085806 564252761 /nfs/dbraw/zinc/25/27/61/564252761.db2.gz BAAVNZLORMCCCD-NSHDSACASA-N -1 1 388.751 2.556 20 5 GFBDMM COC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479138411 564426777 /nfs/dbraw/zinc/42/67/77/564426777.db2.gz PURNJCLXYXPBGR-NSHDSACASA-N -1 1 390.767 2.802 20 5 GFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000521038458 564617845 /nfs/dbraw/zinc/61/78/45/564617845.db2.gz NUSGDLJTHNJHSB-UHFFFAOYSA-N -1 1 381.182 2.872 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1 ZINC000533631678 564968684 /nfs/dbraw/zinc/96/86/84/564968684.db2.gz AOSYAKDQSVUPRI-SECBINFHSA-N -1 1 387.487 2.605 20 5 GFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594476408 565393405 /nfs/dbraw/zinc/39/34/05/565393405.db2.gz AKLBHJYDFUOWIQ-VIFPVBQESA-N -1 1 378.834 2.504 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594851258 565429620 /nfs/dbraw/zinc/42/96/20/565429620.db2.gz ILJLSPSPGJUVEJ-SNVBAGLBSA-N -1 1 385.186 2.681 20 5 GFBDMM CCCN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352715 565467299 /nfs/dbraw/zinc/46/72/99/565467299.db2.gz BZFSWTNZKCOPMN-JTQLQIEISA-N -1 1 382.269 2.664 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598621635 565629741 /nfs/dbraw/zinc/62/97/41/565629741.db2.gz JKHGDUHUNHJGGT-ZETCQYMHSA-N -1 1 385.186 2.681 20 5 GFBDMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603901695 565918922 /nfs/dbraw/zinc/91/89/22/565918922.db2.gz GFNCIGMHOBHFSZ-SECBINFHSA-N -1 1 380.198 2.819 20 5 GFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000609134241 566031050 /nfs/dbraw/zinc/03/10/50/566031050.db2.gz OXFNUAVGFWOFHG-UHFFFAOYSA-N -1 1 389.227 2.780 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000609598152 566046375 /nfs/dbraw/zinc/04/63/75/566046375.db2.gz GODFCDUMYFSDQV-OAHLLOKOSA-N -1 1 382.825 2.841 20 5 GFBDMM Cc1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000738262058 599703622 /nfs/dbraw/zinc/70/36/22/599703622.db2.gz SQWKQEGOHHZMNG-INIZCTEOSA-N -1 1 387.392 2.761 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000826498863 607452679 /nfs/dbraw/zinc/45/26/79/607452679.db2.gz MMJFNAMYXPVBBS-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nn[n-]n1 ZINC000826498863 607452681 /nfs/dbraw/zinc/45/26/81/607452681.db2.gz MMJFNAMYXPVBBS-OAHLLOKOSA-N -1 1 394.391 2.888 20 5 GFBDMM Cc1ccc(Cl)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826289359 607576329 /nfs/dbraw/zinc/57/63/29/607576329.db2.gz XBUHHJYYIPZSEG-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1Cl ZINC000833733132 605327875 /nfs/dbraw/zinc/32/78/75/605327875.db2.gz IBGHYZIQSNSIJH-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1C ZINC000820767924 606418045 /nfs/dbraw/zinc/41/80/45/606418045.db2.gz KEQNBVPOQRQUNJ-MQYQWHSLSA-N -1 1 385.472 2.959 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000820767924 606418046 /nfs/dbraw/zinc/41/80/46/606418046.db2.gz KEQNBVPOQRQUNJ-MQYQWHSLSA-N -1 1 385.472 2.959 20 5 GFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000823635450 606645955 /nfs/dbraw/zinc/64/59/55/606645955.db2.gz WQKPYZRHPKGJKP-AWEZNQCLSA-N -1 1 380.364 2.845 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822201106 606710974 /nfs/dbraw/zinc/71/09/74/606710974.db2.gz QXDNANSSKVWFEJ-UHFFFAOYSA-N -1 1 377.704 2.832 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822201106 606710975 /nfs/dbraw/zinc/71/09/75/606710975.db2.gz QXDNANSSKVWFEJ-UHFFFAOYSA-N -1 1 377.704 2.832 20 5 GFBDMM Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1Cl ZINC000822328971 607155933 /nfs/dbraw/zinc/15/59/33/607155933.db2.gz WIKDPQRLIBPKSB-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM CN(Cc1ccc(Br)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609669 607162527 /nfs/dbraw/zinc/16/25/27/607162527.db2.gz HBGIIOHEOONVKD-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM CN(Cc1ccc(Br)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821609669 607162529 /nfs/dbraw/zinc/16/25/29/607162529.db2.gz HBGIIOHEOONVKD-UHFFFAOYSA-N -1 1 390.201 2.569 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(C)C ZINC000841562408 661302014 /nfs/dbraw/zinc/30/20/14/661302014.db2.gz YWCJQCGBECNWER-MFKMUULPSA-N -1 1 385.269 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOCC2CCC2)c1Cl ZINC000831111168 660696122 /nfs/dbraw/zinc/69/61/22/660696122.db2.gz YVCHEFSXBROGJZ-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1Br ZINC000268472916 654973604 /nfs/dbraw/zinc/97/36/04/654973604.db2.gz IPKAKGZOINAHFU-UHFFFAOYSA-N -1 1 387.215 2.759 20 5 GFBDMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173477243 655173515 /nfs/dbraw/zinc/17/35/15/655173515.db2.gz QVENYYLCGPHJLN-VIFPVBQESA-N -1 1 386.861 2.508 20 5 GFBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000725823623 655527041 /nfs/dbraw/zinc/52/70/41/655527041.db2.gz ZHATXBOLIQABOG-ZDUSSCGKSA-N -1 1 389.886 2.891 20 5 GFBDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1[O-] ZINC000748674085 655793748 /nfs/dbraw/zinc/79/37/48/655793748.db2.gz KORUPKAWAIXNGR-UHFFFAOYSA-N -1 1 385.785 2.713 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2C(F)(F)F)s1 ZINC000751262120 655824214 /nfs/dbraw/zinc/82/42/14/655824214.db2.gz NYUTTZMGGKIRDZ-SNVBAGLBSA-N -1 1 396.368 2.687 20 5 GFBDMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751401432 655826369 /nfs/dbraw/zinc/82/63/69/655826369.db2.gz AGEORPPNHWOHAK-BXUZGUMPSA-N -1 1 384.841 2.691 20 5 GFBDMM CCCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000751990273 655838056 /nfs/dbraw/zinc/83/80/56/655838056.db2.gz VQXIGFPJSHHOSE-NSHDSACASA-N -1 1 378.834 2.648 20 5 GFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000763086109 656070953 /nfs/dbraw/zinc/07/09/53/656070953.db2.gz KFTUMUXALTVODJ-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000774934941 656572043 /nfs/dbraw/zinc/57/20/43/656572043.db2.gz UYFCUEIZZNTBBV-UHFFFAOYSA-N -1 1 393.755 2.723 20 5 GFBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(N3CCOC3=O)c2)s1 ZINC000775484429 656642233 /nfs/dbraw/zinc/64/22/33/656642233.db2.gz VIRFFRIGLVJRMW-UHFFFAOYSA-N -1 1 383.407 2.760 20 5 GFBDMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775725217 656674336 /nfs/dbraw/zinc/67/43/36/656674336.db2.gz QRVWFXDWMBFYBB-NHYWBVRUSA-N -1 1 390.845 2.648 20 5 GFBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)[n-]1 ZINC000786901800 657486580 /nfs/dbraw/zinc/48/65/80/657486580.db2.gz DABGGXIVWHXBMW-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM CC(C)c1nc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)c[n-]1 ZINC000786901800 657486588 /nfs/dbraw/zinc/48/65/88/657486588.db2.gz DABGGXIVWHXBMW-UHFFFAOYSA-N -1 1 390.215 2.972 20 5 GFBDMM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000792783819 658322360 /nfs/dbraw/zinc/32/23/60/658322360.db2.gz OSDSFLAQMCTIJE-BDAKNGLRSA-N -1 1 387.849 2.919 20 5 GFBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000792783819 658322366 /nfs/dbraw/zinc/32/23/66/658322366.db2.gz OSDSFLAQMCTIJE-BDAKNGLRSA-N -1 1 387.849 2.919 20 5 GFBDMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822977 659943726 /nfs/dbraw/zinc/94/37/26/659943726.db2.gz FYNGFTWJGTVBKW-UHFFFAOYSA-N -1 1 399.252 2.912 20 5 GFBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809825210 659944260 /nfs/dbraw/zinc/94/42/60/659944260.db2.gz BOSWWWPVGGZEPJ-UHFFFAOYSA-N -1 1 380.825 2.872 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)cc1Cl ZINC000809830252 659945977 /nfs/dbraw/zinc/94/59/77/659945977.db2.gz QAABATVTFHNBJS-UHFFFAOYSA-N -1 1 390.805 2.575 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(Cl)cc1Cl ZINC000809832848 659946976 /nfs/dbraw/zinc/94/69/76/659946976.db2.gz USNGWGGUMDMGSK-JTQLQIEISA-N -1 1 397.261 2.975 20 5 GFBDMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000810115159 659963005 /nfs/dbraw/zinc/96/30/05/659963005.db2.gz UBCRQKCQHVFQLY-CYBMUJFWSA-N -1 1 382.825 2.839 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c(Cl)cc1Cl ZINC000810116088 659963015 /nfs/dbraw/zinc/96/30/15/659963015.db2.gz SSEGGHFWPXYWDH-LLVKDONJSA-N -1 1 383.253 2.731 20 5 GFBDMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025135 660103340 /nfs/dbraw/zinc/10/33/40/660103340.db2.gz BQJNAMOHLDRZCT-ZDUSSCGKSA-N -1 1 382.841 2.709 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000815027835 660103820 /nfs/dbraw/zinc/10/38/20/660103820.db2.gz LIFUHXDLMSYTBM-IINYFYTJSA-N -1 1 394.852 2.997 20 5 GFBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)O1 ZINC000841558477 661300490 /nfs/dbraw/zinc/30/04/90/661300490.db2.gz AXVSEYCRLFKXTG-IWSPIJDZSA-N -1 1 383.253 2.993 20 5 GFBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000845968485 661512432 /nfs/dbraw/zinc/51/24/32/661512432.db2.gz MQMDXOXONAQJNI-SCZZXKLOSA-N -1 1 385.269 2.977 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000856746901 662040764 /nfs/dbraw/zinc/04/07/64/662040764.db2.gz DUTJGANHUJTASI-ZETCQYMHSA-N -1 1 385.186 2.681 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000867692030 662567748 /nfs/dbraw/zinc/56/77/48/662567748.db2.gz ADDJKHIMXDTCCW-HTRCEHHLSA-N -1 1 389.149 2.586 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920936254 664534439 /nfs/dbraw/zinc/53/44/39/664534439.db2.gz GNNVBCJIQQNCRE-XVKPBYJWSA-N -1 1 388.751 2.636 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000116367649 551213364 /nfs/dbraw/zinc/21/33/64/551213364.db2.gz VQNCFBLMGYMURI-GFCCVEGCSA-N -1 1 385.442 2.743 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000173542666 552087860 /nfs/dbraw/zinc/08/78/60/552087860.db2.gz DCHMQVUXDDQUOG-STQMWFEESA-N -1 1 384.845 2.907 20 5 GFBDMM O=C(c1ccc(Br)c([O-])c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427818153 563476977 /nfs/dbraw/zinc/47/69/77/563476977.db2.gz OFKNSICUTAXFHH-UHFFFAOYSA-N -1 1 395.213 2.737 20 5 GFBDMM COc1ccc(Br)c(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000430707669 563548284 /nfs/dbraw/zinc/54/82/84/563548284.db2.gz QHFARBADJAGTJB-UHFFFAOYSA-N -1 1 396.197 2.739 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c(Cl)cc1Cl ZINC000289736993 563685257 /nfs/dbraw/zinc/68/52/57/563685257.db2.gz FOURQKXKXRRIGY-KCJUWKMLSA-N -1 1 383.253 2.731 20 5 GFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000444631744 563834416 /nfs/dbraw/zinc/83/44/16/563834416.db2.gz AULMPDPHKSFQPT-UHFFFAOYSA-N -1 1 391.181 2.869 20 5 GFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000445013367 563840877 /nfs/dbraw/zinc/84/08/77/563840877.db2.gz QDMOCQUQQFEOMX-VIFPVBQESA-N -1 1 396.197 2.655 20 5 GFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602349 563852119 /nfs/dbraw/zinc/85/21/19/563852119.db2.gz WZRZOYUUUZGYGS-APPZFPTMSA-N -1 1 381.273 2.530 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000510964352 564352088 /nfs/dbraw/zinc/35/20/88/564352088.db2.gz CRNKOEQGYCVUBL-ZETCQYMHSA-N -1 1 377.756 2.961 20 5 GFBDMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000515617780 564483654 /nfs/dbraw/zinc/48/36/54/564483654.db2.gz PRRHOZICITTWNS-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480917255 564495758 /nfs/dbraw/zinc/49/57/58/564495758.db2.gz XBVNOBSPHUBOLN-SNVBAGLBSA-N -1 1 383.813 2.554 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000535353552 565011671 /nfs/dbraw/zinc/01/16/71/565011671.db2.gz FYCSFEZQBLBBTB-SNVBAGLBSA-N -1 1 396.368 2.687 20 5 GFBDMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000504693668 565042945 /nfs/dbraw/zinc/04/29/45/565042945.db2.gz AERFVMRADCOSLC-JTQLQIEISA-N -1 1 382.419 2.961 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)ccc1[O-] ZINC000470440355 565046436 /nfs/dbraw/zinc/04/64/36/565046436.db2.gz GJRWBQHQZVSSLY-UHFFFAOYSA-N -1 1 378.284 2.842 20 5 GFBDMM O=C(NC1(c2ccc(Br)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000616021194 565185392 /nfs/dbraw/zinc/18/53/92/565185392.db2.gz XZPKJKVUVFUBKB-UHFFFAOYSA-N -1 1 378.182 2.877 20 5 GFBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000594850816 565429518 /nfs/dbraw/zinc/42/95/18/565429518.db2.gz FWUZBCXPEJYMIZ-MWLCHTKSSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1sc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000595413909 565475995 /nfs/dbraw/zinc/47/59/95/565475995.db2.gz BLWNANXPUHKUJY-UHFFFAOYSA-N -1 1 381.357 2.857 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000599371675 565672742 /nfs/dbraw/zinc/67/27/42/565672742.db2.gz DZLRIYMNDVBRCI-NSHDSACASA-N -1 1 398.750 2.527 20 5 GFBDMM O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000604431831 565929390 /nfs/dbraw/zinc/92/93/90/565929390.db2.gz YRPVJPFQCMUMPU-SECBINFHSA-N -1 1 390.826 2.804 20 5 GFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000735914671 598787408 /nfs/dbraw/zinc/78/74/08/598787408.db2.gz YBBZSHBKEJWGHA-UHFFFAOYSA-N -1 1 389.393 2.981 20 5 GFBDMM CCc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000737247381 599851195 /nfs/dbraw/zinc/85/11/95/599851195.db2.gz HEIZMJYRPCZUEY-UHFFFAOYSA-N -1 1 381.348 2.893 20 5 GFBDMM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000740240301 600228733 /nfs/dbraw/zinc/22/87/33/600228733.db2.gz TXVVYKRXHCIKQJ-HNNXBMFYSA-N -1 1 395.415 2.808 20 5 GFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)cc1 ZINC000824654907 607449607 /nfs/dbraw/zinc/44/96/07/607449607.db2.gz AFPWDOBWRRKWOR-NSHDSACASA-N -1 1 377.368 2.529 20 5 GFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824654907 607449608 /nfs/dbraw/zinc/44/96/08/607449608.db2.gz AFPWDOBWRRKWOR-NSHDSACASA-N -1 1 377.368 2.529 20 5 GFBDMM Cc1ccc2ncccc2c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832959723 601475203 /nfs/dbraw/zinc/47/52/03/601475203.db2.gz HTWAPORMTFQWHC-UHFFFAOYSA-N -1 1 387.373 2.950 20 5 GFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000832958280 602195937 /nfs/dbraw/zinc/19/59/37/602195937.db2.gz RSEXQZOTGGUYCX-UHFFFAOYSA-N -1 1 386.332 2.989 20 5 GFBDMM Cc1cccc(Cl)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826298166 607618744 /nfs/dbraw/zinc/61/87/44/607618744.db2.gz GVXWLFQASTXJNE-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])ccc1[N+](=O)[O-] ZINC000740092722 603420717 /nfs/dbraw/zinc/42/07/17/603420717.db2.gz BGGWKCMPJYVELA-UHFFFAOYSA-N -1 1 377.378 2.745 20 5 GFBDMM CCOCCN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000830011787 604263198 /nfs/dbraw/zinc/26/31/98/604263198.db2.gz NZAAUECGYSHHED-LBPRGKRZSA-N -1 1 385.848 2.884 20 5 GFBDMM CC[C@H](C)C(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820864244 606699507 /nfs/dbraw/zinc/69/95/07/606699507.db2.gz XTNYOSWGVGPVNX-NSHDSACASA-N -1 1 396.411 2.767 20 5 GFBDMM CC[C@H](C)C(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820864244 606699509 /nfs/dbraw/zinc/69/95/09/606699509.db2.gz XTNYOSWGVGPVNX-NSHDSACASA-N -1 1 396.411 2.767 20 5 GFBDMM CCc1cccc2c(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c[nH]c21 ZINC000821492853 606710072 /nfs/dbraw/zinc/71/00/72/606710072.db2.gz XJSUWOUGMLOQLX-UHFFFAOYSA-N -1 1 378.396 2.868 20 5 GFBDMM CCc1cccc2c(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c[nH]c21 ZINC000821492853 606710073 /nfs/dbraw/zinc/71/00/73/606710073.db2.gz XJSUWOUGMLOQLX-UHFFFAOYSA-N -1 1 378.396 2.868 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Br)cc1F ZINC000823630277 607164434 /nfs/dbraw/zinc/16/44/34/607164434.db2.gz VJKPRJLBINYGMN-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Br)cc1F ZINC000823630277 607164436 /nfs/dbraw/zinc/16/44/36/607164436.db2.gz VJKPRJLBINYGMN-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000069646949 654984676 /nfs/dbraw/zinc/98/46/76/654984676.db2.gz NYTIVEJKELDGCM-UHFFFAOYSA-N -1 1 385.785 2.713 20 5 GFBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000101572363 655044610 /nfs/dbraw/zinc/04/46/10/655044610.db2.gz LXRLEXDLWMCRAL-UHFFFAOYSA-N -1 1 385.829 2.909 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000172664370 655159357 /nfs/dbraw/zinc/15/93/57/655159357.db2.gz URLCHSMQQLQGAK-UHFFFAOYSA-N -1 1 385.423 2.866 20 5 GFBDMM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175651341 655225314 /nfs/dbraw/zinc/22/53/14/655225314.db2.gz BIPJUTGMAKHDDR-XMWNIVNYSA-N -1 1 394.902 2.606 20 5 GFBDMM Cc1ccn(-c2ccccc2C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120030487 655325305 /nfs/dbraw/zinc/32/53/05/655325305.db2.gz GAJUFNISXBHROO-UHFFFAOYSA-N -1 1 378.435 2.629 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000725829062 655527408 /nfs/dbraw/zinc/52/74/08/655527408.db2.gz QCKPZXYUNOUDQC-UHFFFAOYSA-N -1 1 381.841 2.542 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000768047587 656231249 /nfs/dbraw/zinc/23/12/49/656231249.db2.gz DZRGCTRBLJKPBV-UHFFFAOYSA-N -1 1 398.203 2.563 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000768804783 656252065 /nfs/dbraw/zinc/25/20/65/656252065.db2.gz ATKGFGOBWWNWFG-UHFFFAOYSA-N -1 1 386.451 2.931 20 5 GFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000770703736 656327509 /nfs/dbraw/zinc/32/75/09/656327509.db2.gz DIBXZXQLNYYZLF-UHLUBPPHSA-N -1 1 386.191 2.854 20 5 GFBDMM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC000773058055 656397856 /nfs/dbraw/zinc/39/78/56/656397856.db2.gz QQCJCXJJQBVWOD-ZDUSSCGKSA-N -1 1 384.435 2.857 20 5 GFBDMM CS[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795894750 658869121 /nfs/dbraw/zinc/86/91/21/658869121.db2.gz CSINDFDHHCKGRR-ZCFIWIBFSA-N -1 1 387.252 2.526 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000797456372 659024871 /nfs/dbraw/zinc/02/48/71/659024871.db2.gz BCKFVSBVGXWWHT-UHFFFAOYSA-N -1 1 382.266 2.769 20 5 GFBDMM Cc1cc(OCC(=O)Nc2nc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000797758644 659047448 /nfs/dbraw/zinc/04/74/48/659047448.db2.gz PLPXDRBQGLYUOI-UHFFFAOYSA-N -1 1 382.170 2.784 20 5 GFBDMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808106 659940120 /nfs/dbraw/zinc/94/01/20/659940120.db2.gz ZUDVEJADVXZTFU-UHFFFAOYSA-N -1 1 396.824 2.789 20 5 GFBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829475 659945586 /nfs/dbraw/zinc/94/55/86/659945586.db2.gz HELBWYFKPHRJPS-PRHODGIISA-N -1 1 383.253 2.995 20 5 GFBDMM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809829519 659945600 /nfs/dbraw/zinc/94/56/00/659945600.db2.gz HZBCQZGZEGFBDK-UHFFFAOYSA-N -1 1 380.825 2.749 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)cc1Cl ZINC000809831310 659946444 /nfs/dbraw/zinc/94/64/44/659946444.db2.gz CRXLHLVDJNZYGY-UHFFFAOYSA-N -1 1 385.804 2.792 20 5 GFBDMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809839014 659947784 /nfs/dbraw/zinc/94/77/84/659947784.db2.gz DWVMDZXQSLWNNP-VIFPVBQESA-N -1 1 396.824 2.786 20 5 GFBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815028068 660103992 /nfs/dbraw/zinc/10/39/92/660103992.db2.gz POVTVXLOIMLYHJ-AWEZNQCLSA-N -1 1 388.804 2.708 20 5 GFBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000841536442 661293447 /nfs/dbraw/zinc/29/34/47/661293447.db2.gz ANSLKSPWIYJLOZ-PHIMTYICSA-N -1 1 393.259 2.592 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H](O)C(C)C ZINC000841561762 661301782 /nfs/dbraw/zinc/30/17/82/661301782.db2.gz QQFDLUKHAQZEBY-BXKDBHETSA-N -1 1 385.269 2.975 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845978024 661516316 /nfs/dbraw/zinc/51/63/16/661516316.db2.gz INIASSSWMOJIDJ-BDJLRTHQSA-N -1 1 384.841 2.823 20 5 GFBDMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856919 661839458 /nfs/dbraw/zinc/83/94/58/661839458.db2.gz IRBHDRPZDVCZHA-XHDPSFHLSA-N -1 1 384.841 2.691 20 5 GFBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)CO1 ZINC000907732185 664056627 /nfs/dbraw/zinc/05/66/27/664056627.db2.gz ONEDQOALHXMRRG-JUXJKVCFSA-N -1 1 378.809 2.623 20 5 GFBDMM CCOC(=O)CSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000031908661 551130960 /nfs/dbraw/zinc/13/09/60/551130960.db2.gz GMTMMDJXGPQTFJ-UHFFFAOYSA-N -1 1 388.452 2.724 20 5 GFBDMM CN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121771917 551242377 /nfs/dbraw/zinc/24/23/77/551242377.db2.gz WRFOGUOHUYQWJR-UHFFFAOYSA-N -1 1 384.161 2.869 20 5 GFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000327482963 563458640 /nfs/dbraw/zinc/45/86/40/563458640.db2.gz FEGGAIAVEKZGOW-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC000433443842 563613016 /nfs/dbraw/zinc/61/30/16/563613016.db2.gz ODJFDIJOTSICCD-SNVBAGLBSA-N -1 1 378.834 2.506 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c(Cl)cc1Cl ZINC000289736995 563684861 /nfs/dbraw/zinc/68/48/61/563684861.db2.gz FOURQKXKXRRIGY-KWQFWETISA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Cl)c1 ZINC000362672052 563708557 /nfs/dbraw/zinc/70/85/57/563708557.db2.gz XQKZPFFFIBTUGS-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290692278 563718599 /nfs/dbraw/zinc/71/85/99/563718599.db2.gz HXEDWRGXBQDNKX-UHFFFAOYSA-N -1 1 377.781 2.513 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c(Cl)cc1Cl ZINC000290800723 563722100 /nfs/dbraw/zinc/72/21/00/563722100.db2.gz RHGRNPOFOZWRHD-KYZUINATSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H](CO)c2ccccc21 ZINC000364893643 563768046 /nfs/dbraw/zinc/76/80/46/563768046.db2.gz IMXZSMAUBPUZNS-QMTHXVAHSA-N -1 1 382.825 2.747 20 5 GFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1Br ZINC000448316529 563896174 /nfs/dbraw/zinc/89/61/74/563896174.db2.gz WFSFAWPOYVATBI-UHFFFAOYSA-N -1 1 390.197 2.865 20 5 GFBDMM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479486240 564441500 /nfs/dbraw/zinc/44/15/00/564441500.db2.gz MJBQITGFLGFFBZ-LLVKDONJSA-N -1 1 386.451 2.658 20 5 GFBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1F ZINC000547941489 564524528 /nfs/dbraw/zinc/52/45/28/564524528.db2.gz ROPNBQMZCLXLMK-UHFFFAOYSA-N -1 1 376.268 2.511 20 5 GFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481867821 564527164 /nfs/dbraw/zinc/52/71/64/564527164.db2.gz PJRSDIBMTQWORD-UHFFFAOYSA-N -1 1 384.797 2.993 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000518051764 564544913 /nfs/dbraw/zinc/54/49/13/564544913.db2.gz GKSWYCKLMMINJG-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000482671898 564548380 /nfs/dbraw/zinc/54/83/80/564548380.db2.gz KDHCPFBKWHJIKC-UHFFFAOYSA-N -1 1 383.202 2.942 20 5 GFBDMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525703120 564706672 /nfs/dbraw/zinc/70/66/72/564706672.db2.gz NQVPCCMXZSTHAA-YGRLFVJLSA-N -1 1 385.829 2.698 20 5 GFBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CC ZINC000462573801 564849590 /nfs/dbraw/zinc/84/95/90/564849590.db2.gz BDAOUERSMORSEM-NOZJJQNGSA-N -1 1 378.834 2.504 20 5 GFBDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000562262221 565022168 /nfs/dbraw/zinc/02/21/68/565022168.db2.gz DTMHZZFZDCKNFU-UHFFFAOYSA-N -1 1 385.785 2.539 20 5 GFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000536541384 565040031 /nfs/dbraw/zinc/04/00/31/565040031.db2.gz YCSKOWUBUQXLAO-UHFFFAOYSA-N -1 1 381.182 2.872 20 5 GFBDMM COC(=O)c1sc(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594697051 565408687 /nfs/dbraw/zinc/40/86/87/565408687.db2.gz NDMJTEIIYOFRAO-UHFFFAOYSA-N -1 1 384.435 2.736 20 5 GFBDMM CCSC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000595348136 565465871 /nfs/dbraw/zinc/46/58/71/565465871.db2.gz ADOPFADUNGFQGE-UHFFFAOYSA-N -1 1 395.300 2.921 20 5 GFBDMM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609199243 566033648 /nfs/dbraw/zinc/03/36/48/566033648.db2.gz OUKKSJAIQNURPF-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2sc(Br)cc2C1 ZINC000610938052 566106490 /nfs/dbraw/zinc/10/64/90/566106490.db2.gz GMPLXVFORKESLV-UHFFFAOYSA-N -1 1 384.211 2.718 20 5 GFBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cc(N[C@H]2CCSC2)cc1-c1nnn[n-]1 ZINC000823630263 599078195 /nfs/dbraw/zinc/07/81/95/599078195.db2.gz USGDMQUMGCLCPS-VHSXEESVSA-N -1 1 393.498 2.610 20 5 GFBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cc(N[C@H]2CCSC2)cc1-c1nn[n-]n1 ZINC000823630263 599078198 /nfs/dbraw/zinc/07/81/98/599078198.db2.gz USGDMQUMGCLCPS-VHSXEESVSA-N -1 1 393.498 2.610 20 5 GFBDMM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)o2)c(-c2nn[n-]n2)c1 ZINC000823650882 599142718 /nfs/dbraw/zinc/14/27/18/599142718.db2.gz CNGKNJGJNRCLNI-UHFFFAOYSA-N -1 1 386.328 2.510 20 5 GFBDMM COc1cc(CN2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000820763992 598119785 /nfs/dbraw/zinc/11/97/85/598119785.db2.gz QROHPGXXXFPSHF-UHFFFAOYSA-N -1 1 392.330 2.841 20 5 GFBDMM CCC(CC)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828849305 600790601 /nfs/dbraw/zinc/79/06/01/600790601.db2.gz XPFFQPUNUYGZJM-UHFFFAOYSA-N -1 1 385.225 2.823 20 5 GFBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC(CCN3CCOCC3)CC2)cc1Cl ZINC000833307697 602254145 /nfs/dbraw/zinc/25/41/45/602254145.db2.gz QNEQKZYWPXCRLN-UHFFFAOYSA-N -1 1 397.859 2.885 20 5 GFBDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000739924965 602652631 /nfs/dbraw/zinc/65/26/31/602652631.db2.gz XFZVIMVEOXZDOX-UHFFFAOYSA-N -1 1 381.366 2.803 20 5 GFBDMM Cc1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000740093020 602869207 /nfs/dbraw/zinc/86/92/07/602869207.db2.gz GDSGBMILTKUTMQ-UHFFFAOYSA-N -1 1 379.394 2.814 20 5 GFBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711041 603627798 /nfs/dbraw/zinc/62/77/98/603627798.db2.gz ABGBTYSIRNPROD-JTQLQIEISA-N -1 1 386.836 2.801 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@H](C)[C@H](C)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1C ZINC000820767916 606418030 /nfs/dbraw/zinc/41/80/30/606418030.db2.gz KEQNBVPOQRQUNJ-CRWXNKLISA-N -1 1 385.472 2.959 20 5 GFBDMM C[C@H]1CN(c2cc(N3C[C@H](C)[C@H](C)C3)cc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000820767916 606418032 /nfs/dbraw/zinc/41/80/32/606418032.db2.gz KEQNBVPOQRQUNJ-CRWXNKLISA-N -1 1 385.472 2.959 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccc2ccccc21 ZINC000823624982 606699973 /nfs/dbraw/zinc/69/99/73/606699973.db2.gz NKBPPSQMCNBBFP-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccc2ccccc21 ZINC000823624982 606699975 /nfs/dbraw/zinc/69/99/75/606699975.db2.gz NKBPPSQMCNBBFP-UHFFFAOYSA-N -1 1 377.364 2.814 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(=Cc2ccccc2F)CC1 ZINC000823615070 606720077 /nfs/dbraw/zinc/72/00/77/606720077.db2.gz ZNARPFQKHHJFMB-UHFFFAOYSA-N -1 1 381.371 2.993 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(=Cc2ccccc2F)CC1 ZINC000823615070 606720078 /nfs/dbraw/zinc/72/00/78/606720078.db2.gz ZNARPFQKHHJFMB-UHFFFAOYSA-N -1 1 381.371 2.993 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000823629751 607165578 /nfs/dbraw/zinc/16/55/78/607165578.db2.gz GNIBJLHSTCPXEA-UHFFFAOYSA-N -1 1 384.356 2.850 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000823629751 607165580 /nfs/dbraw/zinc/16/55/80/607165580.db2.gz GNIBJLHSTCPXEA-UHFFFAOYSA-N -1 1 384.356 2.850 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC3 ZINC000822275591 607167693 /nfs/dbraw/zinc/16/76/93/607167693.db2.gz WIMHNAUCLBGBGP-UHFFFAOYSA-N -1 1 376.380 2.522 20 5 GFBDMM Cc1ccc2[nH]c3c(c2c1)CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC3 ZINC000822275591 607167694 /nfs/dbraw/zinc/16/76/94/607167694.db2.gz WIMHNAUCLBGBGP-UHFFFAOYSA-N -1 1 376.380 2.522 20 5 GFBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826472475 608244565 /nfs/dbraw/zinc/24/45/65/608244565.db2.gz LKFOBUMNAVBGLB-OAHLLOKOSA-N -1 1 388.434 2.724 20 5 GFBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826472475 608244567 /nfs/dbraw/zinc/24/45/67/608244567.db2.gz LKFOBUMNAVBGLB-OAHLLOKOSA-N -1 1 388.434 2.724 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)c(Br)c2)c(-c2nnn[n-]2)c1 ZINC000826501066 608588328 /nfs/dbraw/zinc/58/83/28/608588328.db2.gz YARCMYVSZLNIDY-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)c(Br)c2)c(-c2nn[n-]n2)c1 ZINC000826501066 608588330 /nfs/dbraw/zinc/58/83/30/608588330.db2.gz YARCMYVSZLNIDY-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CS1 ZINC000841558737 661300893 /nfs/dbraw/zinc/30/08/93/661300893.db2.gz JXUDZYCDDLSQRO-RNFRBKRXSA-N -1 1 399.263 2.669 20 5 GFBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1 ZINC000832559529 660786261 /nfs/dbraw/zinc/78/62/61/660786261.db2.gz HUCMXLHYOXVUFX-MRVPVSSYSA-N -1 1 376.797 2.643 20 5 GFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000044244069 654655495 /nfs/dbraw/zinc/65/54/95/654655495.db2.gz OGXJLJSCJNJQLP-UHFFFAOYSA-N -1 1 376.163 2.692 20 5 GFBDMM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n[nH]1 ZINC000126458571 654814258 /nfs/dbraw/zinc/81/42/58/654814258.db2.gz VBTQQEGBKJBLRK-UHFFFAOYSA-N -1 1 389.231 2.834 20 5 GFBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000129254090 654861387 /nfs/dbraw/zinc/86/13/87/654861387.db2.gz ZNLHGAFHGQBUQS-QMMMGPOBSA-N -1 1 383.289 2.777 20 5 GFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc1C ZINC000152197473 655057432 /nfs/dbraw/zinc/05/74/32/655057432.db2.gz NLPPMFQDQTZRSC-UHFFFAOYSA-N -1 1 375.859 2.843 20 5 GFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)[nH]n2)c1 ZINC000153192607 655065230 /nfs/dbraw/zinc/06/52/30/655065230.db2.gz VHVUKWWBZIELPQ-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000120074704 655326882 /nfs/dbraw/zinc/32/68/82/655326882.db2.gz SBPUKINRXLTFSK-JTQLQIEISA-N -1 1 397.261 2.975 20 5 GFBDMM Cn1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000120313263 655334838 /nfs/dbraw/zinc/33/48/38/655334838.db2.gz GHEFJYIPCSVNQT-UHFFFAOYSA-N -1 1 378.435 2.535 20 5 GFBDMM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000742323762 655715642 /nfs/dbraw/zinc/71/56/42/655715642.db2.gz KYORYSWDVLHMIG-CYBMUJFWSA-N -1 1 381.479 2.912 20 5 GFBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(Br)ccc1[O-] ZINC000771575640 656354148 /nfs/dbraw/zinc/35/41/48/656354148.db2.gz LPHRJJLYLJYDIB-UHFFFAOYSA-N -1 1 381.186 2.899 20 5 GFBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3Br)no2)n1 ZINC000772918062 656393325 /nfs/dbraw/zinc/39/33/25/656393325.db2.gz OQIMOBGTKWROMZ-UHFFFAOYSA-N -1 1 392.169 2.998 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1 ZINC000783831803 657264502 /nfs/dbraw/zinc/26/45/02/657264502.db2.gz AOPYPSAPRRRCIQ-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000784418524 657307997 /nfs/dbraw/zinc/30/79/97/657307997.db2.gz QAIJZGGQATVVBQ-UHFFFAOYSA-N -1 1 375.244 2.968 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2cscn2)c(Cl)cc1Cl ZINC000791423113 658096150 /nfs/dbraw/zinc/09/61/50/658096150.db2.gz RBXZQYJXLSLLJP-UHFFFAOYSA-N -1 1 382.250 2.879 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1Cl ZINC000795376623 658812650 /nfs/dbraw/zinc/81/26/50/658812650.db2.gz DEZRXLJWPCUQMV-UHFFFAOYSA-N -1 1 386.813 2.810 20 5 GFBDMM Cc1c(Br)cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000801702168 659416867 /nfs/dbraw/zinc/41/68/67/659416867.db2.gz UAJUSEKEESWSAR-UHFFFAOYSA-N -1 1 390.197 2.573 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c1Cl ZINC000809393896 659926424 /nfs/dbraw/zinc/92/64/24/659926424.db2.gz ZCYIRQANCUUSNW-NSHDSACASA-N -1 1 391.232 2.914 20 5 GFBDMM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc(Br)ccc1[O-] ZINC000813533004 660056622 /nfs/dbraw/zinc/05/66/22/660056622.db2.gz HQFNLOFNCNXOIJ-UHFFFAOYSA-N -1 1 388.124 2.917 20 5 GFBDMM COc1ccncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000814278884 660076127 /nfs/dbraw/zinc/07/61/27/660076127.db2.gz ZERRTVYUWJRIIM-UHFFFAOYSA-N -1 1 392.220 2.784 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000814986414 660100036 /nfs/dbraw/zinc/10/00/36/660100036.db2.gz OUDALPJXEPKWCX-SNVBAGLBSA-N -1 1 386.788 2.669 20 5 GFBDMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815004142 660100767 /nfs/dbraw/zinc/10/07/67/660100767.db2.gz ZLFFTAWQPHCMSF-LURJTMIESA-N -1 1 394.730 2.633 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000815030528 660104228 /nfs/dbraw/zinc/10/42/28/660104228.db2.gz APILJOVRYUGKBT-UHFFFAOYSA-N -1 1 394.852 2.999 20 5 GFBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H](C)O1 ZINC000841561866 661301698 /nfs/dbraw/zinc/30/16/98/661301698.db2.gz ZPDMLZVBDCOTLR-HLTSFMKQSA-N -1 1 383.253 2.993 20 5 GFBDMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000841564495 661303218 /nfs/dbraw/zinc/30/32/18/661303218.db2.gz DXAGHLMMUWVQKN-VIFPVBQESA-N -1 1 393.259 2.593 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1Cl ZINC000841574461 661305972 /nfs/dbraw/zinc/30/59/72/661305972.db2.gz TXBXKLKIMDEIIT-IUCAKERBSA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c(Cl)cc1Cl ZINC000849448490 661727370 /nfs/dbraw/zinc/72/73/70/661727370.db2.gz ZJYRXQVUDKQKGA-QMMMGPOBSA-N -1 1 381.237 2.892 20 5 GFBDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1(F)F ZINC000851820219 661834768 /nfs/dbraw/zinc/83/47/68/661834768.db2.gz UMDYWYBCWIIRGR-SNVBAGLBSA-N -1 1 399.213 2.927 20 5 GFBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000872655582 662783385 /nfs/dbraw/zinc/78/33/85/662783385.db2.gz GCBLRVVMEWNPLF-KQZUMFKRSA-N -1 1 378.809 2.623 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@]12C[C@H]1COC21CCC1 ZINC000908118434 664084568 /nfs/dbraw/zinc/08/45/68/664084568.db2.gz BZNCKRYHJRKOEA-LKFCYVNXSA-N -1 1 390.820 2.625 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Cl)cc1Cl ZINC000921607690 664557446 /nfs/dbraw/zinc/55/74/46/664557446.db2.gz INDIIENZPVSOOP-AEJSXWLSSA-N -1 1 393.248 2.771 20 5 GFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000030530198 551128076 /nfs/dbraw/zinc/12/80/76/551128076.db2.gz JOXMKOOZIMXCNA-UHFFFAOYSA-N -1 1 379.419 2.748 20 5 GFBDMM O=C(N[C@H]1CCc2c1cccc2Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188387774 552444099 /nfs/dbraw/zinc/44/40/99/552444099.db2.gz GIRLUHCIXQQCOW-LBPRGKRZSA-N -1 1 378.182 2.875 20 5 GFBDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000188749671 552453725 /nfs/dbraw/zinc/45/37/25/552453725.db2.gz VLESLNRQTVCMKN-SNVBAGLBSA-N -1 1 393.259 2.593 20 5 GFBDMM COc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000193361242 552991003 /nfs/dbraw/zinc/99/10/03/552991003.db2.gz VFUFEMLRKUAYPG-QMMMGPOBSA-N -1 1 396.197 2.958 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246047309 553101528 /nfs/dbraw/zinc/10/15/28/553101528.db2.gz ASIMZUXKMHNEDQ-VCTAVGKDSA-N -1 1 386.857 2.874 20 5 GFBDMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000437346684 563693863 /nfs/dbraw/zinc/69/38/63/563693863.db2.gz YHJFELRTGRWMHC-QMMMGPOBSA-N -1 1 391.858 2.891 20 5 GFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602350 563852128 /nfs/dbraw/zinc/85/21/28/563852128.db2.gz WZRZOYUUUZGYGS-CBAPKCEASA-N -1 1 381.273 2.530 20 5 GFBDMM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000474161657 564267538 /nfs/dbraw/zinc/26/75/38/564267538.db2.gz YFWVPGJIUTZSOV-CYBMUJFWSA-N -1 1 384.841 2.784 20 5 GFBDMM CC[C@H](C)N[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434311 564332767 /nfs/dbraw/zinc/33/27/67/564332767.db2.gz CWKHBYAQMMXQPB-CMPLNLGQSA-N -1 1 387.483 2.965 20 5 GFBDMM CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434316 564333034 /nfs/dbraw/zinc/33/30/34/564333034.db2.gz CWKHBYAQMMXQPB-PWSUYJOCSA-N -1 1 387.483 2.965 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480917054 564495739 /nfs/dbraw/zinc/49/57/39/564495739.db2.gz XBVNOBSPHUBOLN-JTQLQIEISA-N -1 1 383.813 2.554 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)c([N+](=O)[O-])n1 ZINC000593616969 565347052 /nfs/dbraw/zinc/34/70/52/565347052.db2.gz GNARYVHPCFLXBR-UHFFFAOYSA-N -1 1 384.845 2.822 20 5 GFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000599370868 565672574 /nfs/dbraw/zinc/67/25/74/565672574.db2.gz AAMOMYCHUYJWMO-NSHDSACASA-N -1 1 398.750 2.527 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000610785448 566099455 /nfs/dbraw/zinc/09/94/55/566099455.db2.gz UPYLQRWXOSNQNQ-MRVPVSSYSA-N -1 1 385.186 2.823 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2F)c(-c2nnn[n-]2)c1 ZINC000823651113 599149917 /nfs/dbraw/zinc/14/99/17/599149917.db2.gz GHLXLMKHQGYVQZ-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2F)c(-c2nn[n-]n2)c1 ZINC000823651113 599149922 /nfs/dbraw/zinc/14/99/22/599149922.db2.gz GHLXLMKHQGYVQZ-UHFFFAOYSA-N -1 1 381.121 2.864 20 5 GFBDMM C[C@H](CN(Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736584072 601089141 /nfs/dbraw/zinc/08/91/41/601089141.db2.gz OXGLGXXKDOLGNT-CYBMUJFWSA-N -1 1 385.376 2.683 20 5 GFBDMM Cc1cc(N[C@H](C)CN2CCN(c3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978132 602318595 /nfs/dbraw/zinc/31/85/95/602318595.db2.gz YJJKJKLDBHDAHM-OAHLLOKOSA-N -1 1 399.451 2.619 20 5 GFBDMM COc1cc(CN(C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000829116257 603992641 /nfs/dbraw/zinc/99/26/41/603992641.db2.gz UVPQCLSWYDCPFM-UHFFFAOYSA-N -1 1 389.355 2.779 20 5 GFBDMM COCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000821693924 606701157 /nfs/dbraw/zinc/70/11/57/606701157.db2.gz UVSAWCZNBNYTLF-UHFFFAOYSA-N -1 1 391.775 2.592 20 5 GFBDMM COCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000821693924 606701158 /nfs/dbraw/zinc/70/11/58/606701158.db2.gz UVSAWCZNBNYTLF-UHFFFAOYSA-N -1 1 391.775 2.592 20 5 GFBDMM Cc1ccc(C)c(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822231629 606701253 /nfs/dbraw/zinc/70/12/53/606701253.db2.gz BDJNCZXEEVZRJP-UHFFFAOYSA-N -1 1 395.423 2.835 20 5 GFBDMM Cc1ccc(C)c(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822231629 606701254 /nfs/dbraw/zinc/70/12/54/606701254.db2.gz BDJNCZXEEVZRJP-UHFFFAOYSA-N -1 1 395.423 2.835 20 5 GFBDMM CCc1csc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000821499653 606704530 /nfs/dbraw/zinc/70/45/30/606704530.db2.gz OBMUVRIMZFEZKR-SNVBAGLBSA-N -1 1 386.441 2.573 20 5 GFBDMM CCc1csc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000821499653 606704531 /nfs/dbraw/zinc/70/45/31/606704531.db2.gz OBMUVRIMZFEZKR-SNVBAGLBSA-N -1 1 386.441 2.573 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Br)c(F)c1 ZINC000823624561 606706442 /nfs/dbraw/zinc/70/64/42/606706442.db2.gz COYPHCMSAJEUKU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Br)c(F)c1 ZINC000823624561 606706443 /nfs/dbraw/zinc/70/64/43/606706443.db2.gz COYPHCMSAJEUKU-UHFFFAOYSA-N -1 1 394.164 2.684 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823620252 606711102 /nfs/dbraw/zinc/71/11/02/606711102.db2.gz JCABDIJEVHSFAO-LLVKDONJSA-N -1 1 396.194 2.622 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823620252 606711104 /nfs/dbraw/zinc/71/11/04/606711104.db2.gz JCABDIJEVHSFAO-LLVKDONJSA-N -1 1 396.194 2.622 20 5 GFBDMM Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291972 607866908 /nfs/dbraw/zinc/86/69/08/607866908.db2.gz CRFJUCGQNXATED-UHFFFAOYSA-N -1 1 395.784 2.504 20 5 GFBDMM CCc1noc(C)c1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000825771290 608161322 /nfs/dbraw/zinc/16/13/22/608161322.db2.gz JLMPYGJVZTVLRS-UHFFFAOYSA-N -1 1 377.748 2.539 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1Cl ZINC000830667781 660671131 /nfs/dbraw/zinc/67/11/31/660671131.db2.gz IEHPKGYMSSIGQO-IUCAKERBSA-N -1 1 383.253 2.731 20 5 GFBDMM Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000097001175 655033266 /nfs/dbraw/zinc/03/32/66/655033266.db2.gz TVGUYRGEQGVQOI-UHFFFAOYSA-N -1 1 386.227 2.539 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1Cl ZINC000120900348 655346504 /nfs/dbraw/zinc/34/65/04/655346504.db2.gz LHPWWFFYDGVKRQ-ZDUSSCGKSA-N -1 1 391.232 2.914 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000121555451 655350087 /nfs/dbraw/zinc/35/00/87/655350087.db2.gz KMQVTDJHBVLIGD-UHFFFAOYSA-N -1 1 385.320 2.688 20 5 GFBDMM Cc1c(Br)c(N2CCC(c3n[n-]c(=O)o3)CC2)ncc1[N+](=O)[O-] ZINC000574248084 655427222 /nfs/dbraw/zinc/42/72/22/655427222.db2.gz QWNCOWXGJJUGDC-UHFFFAOYSA-N -1 1 384.190 2.533 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000730266603 655573014 /nfs/dbraw/zinc/57/30/14/655573014.db2.gz OSKZTBBNALRKSE-UHFFFAOYSA-N -1 1 392.767 2.884 20 5 GFBDMM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734849126 655635423 /nfs/dbraw/zinc/63/54/23/655635423.db2.gz XZBCPQQIKHQYTQ-ZDUSSCGKSA-N -1 1 382.829 2.703 20 5 GFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000755980701 655892338 /nfs/dbraw/zinc/89/23/38/655892338.db2.gz FOWVXYGGAPOZMV-CABZTGNLSA-N -1 1 378.472 2.691 20 5 GFBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000756216410 655897034 /nfs/dbraw/zinc/89/70/34/655897034.db2.gz NUPIRTTUPCTMEC-CQSZACIVSA-N -1 1 390.845 2.648 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000795881412 658866652 /nfs/dbraw/zinc/86/66/52/658866652.db2.gz MJKXCDUMKTVHHG-ZETCQYMHSA-N -1 1 399.263 2.670 20 5 GFBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795976186 658878304 /nfs/dbraw/zinc/87/83/04/658878304.db2.gz BNBIBTBLGFNSKH-JTQLQIEISA-N -1 1 399.263 2.669 20 5 GFBDMM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000796104712 658892499 /nfs/dbraw/zinc/89/24/99/658892499.db2.gz QHSHSRHVVBSTIF-IAQYHMDHSA-N -1 1 384.841 2.957 20 5 GFBDMM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OC ZINC000801697070 659414317 /nfs/dbraw/zinc/41/43/17/659414317.db2.gz OSKIARISTIQJLM-UHFFFAOYSA-N -1 1 380.488 2.750 20 5 GFBDMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000805109682 659741421 /nfs/dbraw/zinc/74/14/21/659741421.db2.gz HTGNVWSBISUQGU-NSHDSACASA-N -1 1 381.223 2.963 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2cccs2)cc1Cl ZINC000809819951 659942662 /nfs/dbraw/zinc/94/26/62/659942662.db2.gz IQUWPWRPWSWURO-SNVBAGLBSA-N -1 1 394.833 2.851 20 5 GFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000809831329 659946309 /nfs/dbraw/zinc/94/63/09/659946309.db2.gz CNADWJNTRQOUIV-HUUCEWRRSA-N -1 1 392.836 2.871 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCC2CCC2)c(Cl)cc1Cl ZINC000809832794 659946888 /nfs/dbraw/zinc/94/68/88/659946888.db2.gz TZNCIROCRWGJMO-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000809837558 659947567 /nfs/dbraw/zinc/94/75/67/659947567.db2.gz YUPJCVXTKJJEHT-HNNXBMFYSA-N -1 1 394.852 2.997 20 5 GFBDMM O=c1cc(C(F)F)nc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000809985407 659955115 /nfs/dbraw/zinc/95/51/15/659955115.db2.gz MOTKSTLWWBIHPC-UHFFFAOYSA-N -1 1 391.377 2.594 20 5 GFBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000815014969 660101513 /nfs/dbraw/zinc/10/15/13/660101513.db2.gz DJLGGRAVPSKIRO-CQSZACIVSA-N -1 1 388.804 2.708 20 5 GFBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017711 660102004 /nfs/dbraw/zinc/10/20/04/660102004.db2.gz UCLAGPPYCIIUFQ-UHFFFAOYSA-N -1 1 382.841 2.997 20 5 GFBDMM Cc1ncc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000815027830 660103798 /nfs/dbraw/zinc/10/37/98/660103798.db2.gz LERUIYPJUZOHTK-UHFFFAOYSA-N -1 1 379.822 2.673 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c1Cl ZINC000849444140 661725857 /nfs/dbraw/zinc/72/58/57/661725857.db2.gz RDEWHRMXSJZESA-QMMMGPOBSA-N -1 1 391.179 2.604 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000918191978 664496650 /nfs/dbraw/zinc/49/66/50/664496650.db2.gz MRGPQTLMWOTEGH-UHFFFAOYSA-N -1 1 384.776 2.514 20 5 GFBDMM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000919727092 664517316 /nfs/dbraw/zinc/51/73/16/664517316.db2.gz DQDYGHXBKXUQAE-UHFFFAOYSA-N -1 1 375.200 2.737 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000920936251 664534329 /nfs/dbraw/zinc/53/43/29/664534329.db2.gz GNNVBCJIQQNCRE-GMSGAONNSA-N -1 1 388.751 2.636 20 5 GFBDMM CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000055648445 551173818 /nfs/dbraw/zinc/17/38/18/551173818.db2.gz UGPAMQOBJIXFQC-UHFFFAOYSA-N -1 1 383.813 2.717 20 5 GFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccncc1F ZINC000180167067 552216238 /nfs/dbraw/zinc/21/62/38/552216238.db2.gz NAJOTLVGNYSVQD-UHFFFAOYSA-N -1 1 376.163 2.692 20 5 GFBDMM COC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479138410 564426867 /nfs/dbraw/zinc/42/68/67/564426867.db2.gz PURNJCLXYXPBGR-LLVKDONJSA-N -1 1 390.767 2.802 20 5 GFBDMM COc1ccc(Br)c(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000430212082 563539006 /nfs/dbraw/zinc/53/90/06/563539006.db2.gz ZFNXWYAPQFAZKI-UHFFFAOYSA-N -1 1 396.197 2.739 20 5 GFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000436740204 563678459 /nfs/dbraw/zinc/67/84/59/563678459.db2.gz RGRVSERWFUGDOR-UHFFFAOYSA-N -1 1 380.198 2.905 20 5 GFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000289761749 563686026 /nfs/dbraw/zinc/68/60/26/563686026.db2.gz HCMLWZCXVPVGOT-CQSZACIVSA-N -1 1 388.442 2.834 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cncs1 ZINC000439209233 563719986 /nfs/dbraw/zinc/71/99/86/563719986.db2.gz ZYSICQUDGQTZQQ-ZETCQYMHSA-N -1 1 392.256 2.853 20 5 GFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602352 563851865 /nfs/dbraw/zinc/85/18/65/563851865.db2.gz WZRZOYUUUZGYGS-VXNVDRBHSA-N -1 1 381.273 2.530 20 5 GFBDMM COc1ccc(I)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000509970269 564319863 /nfs/dbraw/zinc/31/98/63/564319863.db2.gz PQFDPNPQIGNHPR-UHFFFAOYSA-N -1 1 387.133 2.788 20 5 GFBDMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815916 564354969 /nfs/dbraw/zinc/35/49/69/564354969.db2.gz INFGVWROPLLPSS-BXUZGUMPSA-N -1 1 376.862 2.978 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000481503328 564514845 /nfs/dbraw/zinc/51/48/45/564514845.db2.gz CJZBCWBYHVJGJA-AULYBMBSSA-N -1 1 384.845 2.689 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nn(C)cc2Br)c1 ZINC000519155723 564571566 /nfs/dbraw/zinc/57/15/66/564571566.db2.gz ONXVZIVOFFKDHM-UHFFFAOYSA-N -1 1 389.231 2.508 20 5 GFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cnc3ccsc3c2)cc([N+](=O)[O-])c1 ZINC000485205684 564609786 /nfs/dbraw/zinc/60/97/86/564609786.db2.gz KCGCJXDOQPWQTM-UHFFFAOYSA-N -1 1 379.375 2.704 20 5 GFBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000486650337 564661485 /nfs/dbraw/zinc/66/14/85/564661485.db2.gz XZKNNSUPNJRJBT-BDAKNGLRSA-N -1 1 387.849 2.919 20 5 GFBDMM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766735 564720118 /nfs/dbraw/zinc/72/01/18/564720118.db2.gz XRWLZKSFBJKPPB-GXSJLCMTSA-N -1 1 393.259 2.593 20 5 GFBDMM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466930286 564950029 /nfs/dbraw/zinc/95/00/29/564950029.db2.gz XPNWLRXTVLUGHE-UHFFFAOYSA-N -1 1 378.834 2.648 20 5 GFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000468548679 564985943 /nfs/dbraw/zinc/98/59/43/564985943.db2.gz PVEJHJNDZTVORF-UHFFFAOYSA-N -1 1 388.760 2.975 20 5 GFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cncc(Cl)c3)[nH]n2)c1 ZINC000534332494 564986270 /nfs/dbraw/zinc/98/62/70/564986270.db2.gz RNXFDHGYOJGUDB-UHFFFAOYSA-N -1 1 379.785 2.834 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505040650 565047769 /nfs/dbraw/zinc/04/77/69/565047769.db2.gz WFECOKIRFFZRLY-SECBINFHSA-N -1 1 380.407 2.746 20 5 GFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000590165623 565179793 /nfs/dbraw/zinc/17/97/93/565179793.db2.gz ADLQMBCZXZGBDH-SNVBAGLBSA-N -1 1 397.356 2.642 20 5 GFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccnn1C ZINC000615946527 565180504 /nfs/dbraw/zinc/18/05/04/565180504.db2.gz ADIKDUQEHMDSRZ-NSHDSACASA-N -1 1 386.861 2.700 20 5 GFBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000594850814 565429456 /nfs/dbraw/zinc/42/94/56/565429456.db2.gz FWUZBCXPEJYMIZ-GXSJLCMTSA-N -1 1 393.259 2.593 20 5 GFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c(C)c1[N+](=O)[O-] ZINC000598711899 565636894 /nfs/dbraw/zinc/63/68/94/565636894.db2.gz HKHCYWQGSDFQOE-XMMPIXPASA-N -1 1 382.463 2.891 20 5 GFBDMM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000608838895 566025941 /nfs/dbraw/zinc/02/59/41/566025941.db2.gz COKLGDBDUJULQD-AAEUAGOBSA-N -1 1 378.182 2.744 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000611019644 566110944 /nfs/dbraw/zinc/11/09/44/566110944.db2.gz UTRGTHFJKRQNRI-LBPRGKRZSA-N -1 1 392.767 2.538 20 5 GFBDMM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)s2)c(-c2nn[n-]n2)c1 ZINC000738373353 598503310 /nfs/dbraw/zinc/50/33/10/598503310.db2.gz AWPDQWIGQVNHFO-UHFFFAOYSA-N -1 1 384.406 2.840 20 5 GFBDMM COc1ccc(-n2ccc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826186585 607451542 /nfs/dbraw/zinc/45/15/42/607451542.db2.gz AOXOTFDCHHKHIM-UHFFFAOYSA-N -1 1 392.379 2.581 20 5 GFBDMM COc1ccc(-n2ccc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826186585 607451543 /nfs/dbraw/zinc/45/15/43/607451543.db2.gz AOXOTFDCHHKHIM-UHFFFAOYSA-N -1 1 392.379 2.581 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cccc(Cn3cccn3)c2)cc1-c1nnn[n-]1 ZINC000826499056 607453252 /nfs/dbraw/zinc/45/32/52/607453252.db2.gz UDLXLXQUJPDUKB-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM O=[N+]([O-])c1ccc(NCc2cccc(Cn3cccn3)c2)cc1-c1nn[n-]n1 ZINC000826499056 607453254 /nfs/dbraw/zinc/45/32/54/607453254.db2.gz UDLXLXQUJPDUKB-UHFFFAOYSA-N -1 1 376.380 2.632 20 5 GFBDMM CCOCCN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000830011786 604263185 /nfs/dbraw/zinc/26/31/85/604263185.db2.gz NZAAUECGYSHHED-GFCCVEGCSA-N -1 1 385.848 2.884 20 5 GFBDMM Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833746470 604702860 /nfs/dbraw/zinc/70/28/60/604702860.db2.gz AECIPAJDKUKCHY-UHFFFAOYSA-N -1 1 387.373 2.950 20 5 GFBDMM CC(C)c1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1[N+](=O)[O-] ZINC000827097122 604930693 /nfs/dbraw/zinc/93/06/93/604930693.db2.gz CQUMRRWOQAMJOA-UHFFFAOYSA-N -1 1 396.350 2.837 20 5 GFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000834177081 605440065 /nfs/dbraw/zinc/44/00/65/605440065.db2.gz APLXFWHZOJYLTI-VHDGCEQUSA-N -1 1 387.396 2.513 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCC2CCOCC2)cc1 ZINC000823624766 606711651 /nfs/dbraw/zinc/71/16/51/606711651.db2.gz IUBHIQCDVZGPIH-UHFFFAOYSA-N -1 1 397.395 2.719 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCC2CCOCC2)cc1 ZINC000823624766 606711653 /nfs/dbraw/zinc/71/16/53/606711653.db2.gz IUBHIQCDVZGPIH-UHFFFAOYSA-N -1 1 397.395 2.719 20 5 GFBDMM COc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Br ZINC000821723485 606715377 /nfs/dbraw/zinc/71/53/77/606715377.db2.gz AYPKFVVPWJMQSJ-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM COc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Br ZINC000821723485 606715378 /nfs/dbraw/zinc/71/53/78/606715378.db2.gz AYPKFVVPWJMQSJ-UHFFFAOYSA-N -1 1 392.173 2.685 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc2sc3ccccc3n12 ZINC000823629897 607166569 /nfs/dbraw/zinc/16/65/69/607166569.db2.gz LEJPPOHFWRSTPN-UHFFFAOYSA-N -1 1 397.405 2.579 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc2sc3ccccc3n12 ZINC000823629897 607166570 /nfs/dbraw/zinc/16/65/70/607166570.db2.gz LEJPPOHFWRSTPN-UHFFFAOYSA-N -1 1 397.405 2.579 20 5 GFBDMM CC1(O)CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000830791005 660679755 /nfs/dbraw/zinc/67/97/55/660679755.db2.gz MHEAHKGMCNEOBL-UHFFFAOYSA-N -1 1 383.253 2.874 20 5 GFBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831038477 660692009 /nfs/dbraw/zinc/69/20/09/660692009.db2.gz NAKUPNSEHMTLFZ-CYBMUJFWSA-N -1 1 397.280 2.977 20 5 GFBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637123 660716588 /nfs/dbraw/zinc/71/65/88/660716588.db2.gz GDKCQOXOFMYAOH-OQPBUACISA-N -1 1 383.253 2.731 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1Cl ZINC000054829297 654764261 /nfs/dbraw/zinc/76/42/61/654764261.db2.gz SCIRUMCZTNPRQC-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(Cl)nc1 ZINC000125168740 654789054 /nfs/dbraw/zinc/78/90/54/654789054.db2.gz AWXDRJYGXOQKCD-UHFFFAOYSA-N -1 1 376.221 2.818 20 5 GFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1F ZINC000126186692 654810042 /nfs/dbraw/zinc/81/00/42/654810042.db2.gz VSFWXHVUQWRHEW-UHFFFAOYSA-N -1 1 387.776 2.595 20 5 GFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000130518234 654889809 /nfs/dbraw/zinc/88/98/09/654889809.db2.gz XFQJPUZDQBQWCP-UHFFFAOYSA-N -1 1 383.769 2.792 20 5 GFBDMM COC(=O)CCCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000267435896 654928622 /nfs/dbraw/zinc/92/86/22/654928622.db2.gz XTHWRNLJZOMGJZ-UHFFFAOYSA-N -1 1 384.801 2.848 20 5 GFBDMM CN(c1nc([O-])c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1)C1CC1 ZINC000273344447 655139708 /nfs/dbraw/zinc/13/97/08/655139708.db2.gz OGSOHZQPIPSMIJ-GFCCVEGCSA-N -1 1 382.829 2.669 20 5 GFBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000273547373 655147581 /nfs/dbraw/zinc/14/75/81/655147581.db2.gz CGDIHZBMJQRXRS-SSDOTTSWSA-N -1 1 376.847 2.756 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000120074859 655326796 /nfs/dbraw/zinc/32/67/96/655326796.db2.gz SBPUKINRXLTFSK-SNVBAGLBSA-N -1 1 397.261 2.975 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(Cl)cccc2Cl)s1 ZINC000121249999 655348908 /nfs/dbraw/zinc/34/89/08/655348908.db2.gz CLOLSSOLYMQFTJ-VIFPVBQESA-N -1 1 397.261 2.975 20 5 GFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1OC ZINC000725824132 655527033 /nfs/dbraw/zinc/52/70/33/655527033.db2.gz OMIYIPOBCUPGJH-UHFFFAOYSA-N -1 1 386.813 2.744 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)ccc1Cl ZINC000727114205 655542250 /nfs/dbraw/zinc/54/22/50/655542250.db2.gz VARILPPFJUNLEH-UHFFFAOYSA-N -1 1 379.785 2.630 20 5 GFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751489058 655829792 /nfs/dbraw/zinc/82/97/92/655829792.db2.gz YVKIIJWBPMHCRQ-VFZGTOFNSA-N -1 1 388.804 2.788 20 5 GFBDMM CCCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000751986278 655837804 /nfs/dbraw/zinc/83/78/04/655837804.db2.gz AKTQBBIKFWZKSP-NSHDSACASA-N -1 1 378.834 2.648 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762529098 656046500 /nfs/dbraw/zinc/04/65/00/656046500.db2.gz ZXBFWUUFGLHYAC-IRUJWGPZSA-N -1 1 394.927 2.906 20 5 GFBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000775470393 656640889 /nfs/dbraw/zinc/64/08/89/656640889.db2.gz IPYGKPCOPIYXPE-UHFFFAOYSA-N -1 1 384.797 2.985 20 5 GFBDMM CCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])co1 ZINC000841526782 661289927 /nfs/dbraw/zinc/28/99/27/661289927.db2.gz QRERQROBKNZGFZ-UHFFFAOYSA-N -1 1 379.316 2.643 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000784386383 657305014 /nfs/dbraw/zinc/30/50/14/657305014.db2.gz SAEZMMMEAIKLTR-UHFFFAOYSA-N -1 1 378.303 2.672 20 5 GFBDMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000786880706 657479844 /nfs/dbraw/zinc/47/98/44/657479844.db2.gz MYVWWYOIJSQMKJ-UHFFFAOYSA-N -1 1 385.785 2.524 20 5 GFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788218223 657673860 /nfs/dbraw/zinc/67/38/60/657673860.db2.gz YTMDAUXITRLJGU-UHFFFAOYSA-N -1 1 387.757 2.966 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c(Cl)cc1Cl ZINC000791422400 658096389 /nfs/dbraw/zinc/09/63/89/658096389.db2.gz ZSXLIGCNMABRRD-UHFFFAOYSA-N -1 1 391.232 2.872 20 5 GFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC000795896177 658869068 /nfs/dbraw/zinc/86/90/68/658869068.db2.gz AGNPVTOLVXHACV-SSDOTTSWSA-N -1 1 381.223 2.963 20 5 GFBDMM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000799127136 659166845 /nfs/dbraw/zinc/16/68/45/659166845.db2.gz PTHLHOBEVDEWBD-UHFFFAOYSA-N -1 1 381.797 2.786 20 5 GFBDMM COc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cnc1Cl ZINC000800052203 659262899 /nfs/dbraw/zinc/26/28/99/659262899.db2.gz KQRQQVBWSABGAM-UHFFFAOYSA-N -1 1 375.765 2.900 20 5 GFBDMM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000808319833 659888095 /nfs/dbraw/zinc/88/80/95/659888095.db2.gz AYXMTWBGNMMIFP-LURJTMIESA-N -1 1 391.165 2.895 20 5 GFBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809809301 659940597 /nfs/dbraw/zinc/94/05/97/659940597.db2.gz KXZVIDCTOPEKBD-UHFFFAOYSA-N -1 1 389.748 2.774 20 5 GFBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)ccc1O ZINC000809818200 659942070 /nfs/dbraw/zinc/94/20/70/659942070.db2.gz DLTKMERYWCLODS-UHFFFAOYSA-N -1 1 390.776 2.580 20 5 GFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)cc1Cl ZINC000809840617 659947798 /nfs/dbraw/zinc/94/77/98/659947798.db2.gz XNMZLQMKOPRJQB-LLVKDONJSA-N -1 1 391.852 2.683 20 5 GFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000815022280 660102922 /nfs/dbraw/zinc/10/29/22/660102922.db2.gz NIRGKONIDCRRRY-GFCCVEGCSA-N -1 1 380.825 2.871 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1Cl ZINC000841574458 661305852 /nfs/dbraw/zinc/30/58/52/661305852.db2.gz TXBXKLKIMDEIIT-DTWKUNHWSA-N -1 1 383.253 2.731 20 5 GFBDMM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849412170 661718554 /nfs/dbraw/zinc/71/85/54/661718554.db2.gz HFUQTMYGSCZMDY-VIFPVBQESA-N -1 1 379.841 2.538 20 5 GFBDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000851852890 661839092 /nfs/dbraw/zinc/83/90/92/661839092.db2.gz CXJCJFFJFYUDKL-QMMMGPOBSA-N -1 1 383.253 2.995 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000921580921 664555351 /nfs/dbraw/zinc/55/53/51/664555351.db2.gz XVXOBPINZUJLQH-KCJUWKMLSA-N -1 1 386.323 2.512 20 5 GFBDMM COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016496539 551111541 /nfs/dbraw/zinc/11/15/41/551111541.db2.gz MBFHBRNIDVQGFZ-UHFFFAOYSA-N -1 1 396.197 2.739 20 5 GFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)ccc1Cl ZINC000126897647 551334233 /nfs/dbraw/zinc/33/42/33/551334233.db2.gz RFKMBKSLSPXKFO-UHFFFAOYSA-N -1 1 386.817 2.666 20 5 GFBDMM O=C(NCCc1ccc(F)c(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186989048 552403747 /nfs/dbraw/zinc/40/37/47/552403747.db2.gz PRRNNYNYYLCPMN-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM O=C(NCCc1cc(Br)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193467861 552994076 /nfs/dbraw/zinc/99/40/76/552994076.db2.gz VYZFSVRMVAKNNF-UHFFFAOYSA-N -1 1 384.161 2.570 20 5 GFBDMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000296194008 563277918 /nfs/dbraw/zinc/27/79/18/563277918.db2.gz IZYYQRMAXZDEAR-UHFFFAOYSA-N -1 1 383.253 2.997 20 5 GFBDMM COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC000432649660 563590533 /nfs/dbraw/zinc/59/05/33/563590533.db2.gz TUBFIQWXMJGQBU-UHFFFAOYSA-N -1 1 386.769 2.756 20 5 GFBDMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364325534 563749905 /nfs/dbraw/zinc/74/99/05/563749905.db2.gz QNAFAHDJEXGQGR-LLVKDONJSA-N -1 1 395.213 2.737 20 5 GFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Br)ccc1[O-] ZINC000444636954 563834780 /nfs/dbraw/zinc/83/47/80/563834780.db2.gz OUAFMFLIWPMLAV-UHFFFAOYSA-N -1 1 391.181 2.869 20 5 GFBDMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000541311082 564273909 /nfs/dbraw/zinc/27/39/09/564273909.db2.gz HLAOEGPQWMBXCI-JTQLQIEISA-N -1 1 378.472 2.693 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)s1 ZINC000509641528 564306941 /nfs/dbraw/zinc/30/69/41/564306941.db2.gz IBSYXQUPUHKIJF-UHFFFAOYSA-N -1 1 385.442 2.874 20 5 GFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000477994369 564392404 /nfs/dbraw/zinc/39/24/04/564392404.db2.gz CWUIAKRLZDJYLU-HTQZYQBOSA-N -1 1 384.211 2.805 20 5 GFBDMM C[C@H]([C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000569506327 564466480 /nfs/dbraw/zinc/46/64/80/564466480.db2.gz JZBUOQOPGBEUAS-KGFZYKRKSA-N -1 1 397.236 2.679 20 5 GFBDMM Cc1sc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1[N+](=O)[O-] ZINC000547937142 564523910 /nfs/dbraw/zinc/52/39/10/564523910.db2.gz VMDXVPONOKJXRG-UHFFFAOYSA-N -1 1 378.334 2.742 20 5 GFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490139796 564764906 /nfs/dbraw/zinc/76/49/06/564764906.db2.gz OIJQOKRFYSZOKH-CQSZACIVSA-N -1 1 376.862 2.714 20 5 GFBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c([O-])cc(Br)cc1Cl ZINC000580672676 564768649 /nfs/dbraw/zinc/76/86/49/564768649.db2.gz QXKZYCJKMSHWQL-UHFFFAOYSA-N -1 1 375.566 2.552 20 5 GFBDMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000554709808 564770773 /nfs/dbraw/zinc/77/07/73/564770773.db2.gz NDCNVQKHYXHZNA-UHFFFAOYSA-N -1 1 380.451 2.670 20 5 GFBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000462401114 564837270 /nfs/dbraw/zinc/83/72/70/564837270.db2.gz OVJUJYINYGORBE-NSHDSACASA-N -1 1 376.843 2.976 20 5 GFBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000499675929 564933712 /nfs/dbraw/zinc/93/37/12/564933712.db2.gz LMYCSOYKBOCIKN-BONVTDFDSA-N -1 1 384.845 2.678 20 5 GFBDMM O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000504333383 565038222 /nfs/dbraw/zinc/03/82/22/565038222.db2.gz ZUNRGUMLIYDTRH-NSHDSACASA-N -1 1 394.181 2.712 20 5 GFBDMM C[C@@H]1C[C@@H]1[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248572 565665113 /nfs/dbraw/zinc/66/51/13/565665113.db2.gz OHVWUXRYSWPZDS-LQJRIPTKSA-N -1 1 384.845 2.657 20 5 GFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)s1 ZINC000610769235 566098433 /nfs/dbraw/zinc/09/84/33/566098433.db2.gz VDWHMYRQLJWPIY-UHFFFAOYSA-N -1 1 378.435 2.965 20 5 GFBDMM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727404 600692576 /nfs/dbraw/zinc/69/25/76/600692576.db2.gz JKXFCMNBPMXOPX-HZMBPMFUSA-N -1 1 375.406 2.811 20 5 GFBDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000739922844 602652329 /nfs/dbraw/zinc/65/23/29/602652329.db2.gz DYGOMKGXGRGUSK-UHFFFAOYSA-N -1 1 381.366 2.803 20 5 GFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825649975 603627731 /nfs/dbraw/zinc/62/77/31/603627731.db2.gz ASVOPCQMGGFLBA-LLVKDONJSA-N -1 1 377.401 2.931 20 5 GFBDMM CCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])ccc1C ZINC000833660733 605327524 /nfs/dbraw/zinc/32/75/24/605327524.db2.gz RWQXFLFIPACBAB-UHFFFAOYSA-N -1 1 380.378 2.801 20 5 GFBDMM O=C([O-])NC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000834205697 605666344 /nfs/dbraw/zinc/66/63/44/605666344.db2.gz GKBNNVHSZDWDBB-HNNXBMFYSA-N -1 1 389.412 2.951 20 5 GFBDMM Cc1nc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)sc1C ZINC000822436268 606705182 /nfs/dbraw/zinc/70/51/82/606705182.db2.gz KFJOMBGMYOONBJ-UHFFFAOYSA-N -1 1 386.441 2.627 20 5 GFBDMM Cc1nc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)sc1C ZINC000822436268 606705184 /nfs/dbraw/zinc/70/51/84/606705184.db2.gz KFJOMBGMYOONBJ-UHFFFAOYSA-N -1 1 386.441 2.627 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823620053 606705519 /nfs/dbraw/zinc/70/55/19/606705519.db2.gz HKARFLLJYWYENR-UHFFFAOYSA-N -1 1 383.387 2.768 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823620053 606705521 /nfs/dbraw/zinc/70/55/21/606705521.db2.gz HKARFLLJYWYENR-UHFFFAOYSA-N -1 1 383.387 2.768 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC2CCCCC2)nc1 ZINC000823624537 606706155 /nfs/dbraw/zinc/70/61/55/606706155.db2.gz BYHQJNXKAFKZTL-UHFFFAOYSA-N -1 1 396.411 2.889 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OC2CCCCC2)nc1 ZINC000823624537 606706158 /nfs/dbraw/zinc/70/61/58/606706158.db2.gz BYHQJNXKAFKZTL-UHFFFAOYSA-N -1 1 396.411 2.889 20 5 GFBDMM CC(C)(C)OC(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819945863 606713065 /nfs/dbraw/zinc/71/30/65/606713065.db2.gz HAYRMFYEDHVFIZ-UHFFFAOYSA-N -1 1 397.395 2.737 20 5 GFBDMM CC(C)(C)OC(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819945863 606713067 /nfs/dbraw/zinc/71/30/67/606713067.db2.gz HAYRMFYEDHVFIZ-UHFFFAOYSA-N -1 1 397.395 2.737 20 5 GFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCC(F)(F)F)cc1 ZINC000823624749 607166879 /nfs/dbraw/zinc/16/68/79/607166879.db2.gz ICONCDJLNSQOEI-UHFFFAOYSA-N -1 1 381.274 2.855 20 5 GFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCC(F)(F)F)cc1 ZINC000823624749 607166881 /nfs/dbraw/zinc/16/68/81/607166881.db2.gz ICONCDJLNSQOEI-UHFFFAOYSA-N -1 1 381.274 2.855 20 5 GFBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000826243135 608101276 /nfs/dbraw/zinc/10/12/76/608101276.db2.gz WAFJFXRXJCJXTM-UHFFFAOYSA-N -1 1 394.800 2.538 20 5 GFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000828203236 660539122 /nfs/dbraw/zinc/53/91/22/660539122.db2.gz BGRVPSBFTAVCDH-DVVUODLYSA-N -1 1 375.244 2.824 20 5 GFBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633680 660668130 /nfs/dbraw/zinc/66/81/30/660668130.db2.gz VUCHNUJYIFJUMU-LLVKDONJSA-N -1 1 385.269 2.977 20 5 GFBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033471 660691866 /nfs/dbraw/zinc/69/18/66/660691866.db2.gz VXCIQVKWLUAOQM-LDYMZIIASA-N -1 1 383.253 2.995 20 5 GFBDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033470 660691885 /nfs/dbraw/zinc/69/18/85/660691885.db2.gz VXCIQVKWLUAOQM-KWQFWETISA-N -1 1 383.253 2.995 20 5 GFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)O ZINC000831247701 660705708 /nfs/dbraw/zinc/70/57/08/660705708.db2.gz BHUCKTCFHJPRBW-LBPRGKRZSA-N -1 1 385.269 2.975 20 5 GFBDMM C[C@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000831713603 660721547 /nfs/dbraw/zinc/72/15/47/660721547.db2.gz UUHOWDRHZGOLQB-SNVBAGLBSA-N -1 1 393.487 2.628 20 5 GFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000832500981 660783116 /nfs/dbraw/zinc/78/31/16/660783116.db2.gz SYQJMYPGOYFDPQ-ZYHUDNBSSA-N -1 1 386.426 2.994 20 5 GFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1 ZINC000159307733 655113145 /nfs/dbraw/zinc/11/31/45/655113145.db2.gz RMRJBTZIEYFTHJ-ZDUSSCGKSA-N -1 1 391.232 2.914 20 5 GFBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 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