smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000001162341 551619846 /nfs/dbraw/zinc/61/98/46/551619846.db2.gz NJPRMFBSSBQXGE-UHFFFAOYSA-N -1 3 504.362 4.131 50 5 KIBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000001314384 551639952 /nfs/dbraw/zinc/63/99/52/551639952.db2.gz XXNYYPINKCEHAO-BDTNDASRSA-N -1 3 524.327 4.417 50 5 KIBAHM Cc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(c2cccc([N+](=O)[O-])c2)=NC3(C(F)(F)F)C(F)(F)F)cc1C ZINC000001314464 551639958 /nfs/dbraw/zinc/63/99/58/551639958.db2.gz DNRJMEBGIBBAMM-UHFFFAOYSA-N -1 3 527.381 4.052 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000001315855 551640784 /nfs/dbraw/zinc/64/07/84/551640784.db2.gz KDQRKIRJGGNYDL-XPNTWCBSSA-N -1 3 554.353 4.118 50 5 KIBAHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1[O-] ZINC000001416681 551666759 /nfs/dbraw/zinc/66/67/59/551666759.db2.gz AJMSGPFBXDCGHD-OVCLIPMQSA-N -1 3 512.281 4.150 50 5 KIBAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C ZINC000002083591 551753303 /nfs/dbraw/zinc/75/33/03/551753303.db2.gz KLYFTCSRIWFNJT-UHFFFAOYSA-N -1 3 506.537 4.481 50 5 KIBAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002932372 552226412 /nfs/dbraw/zinc/22/64/12/552226412.db2.gz SBBQCGVFRKQTSG-UHFFFAOYSA-N -1 3 575.422 4.253 50 5 KIBAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000003044944 552275583 /nfs/dbraw/zinc/27/55/83/552275583.db2.gz ZJYKGQXTXPLLIW-UHFFFAOYSA-N -1 3 548.489 4.266 50 5 KIBAHM COCCn1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000003165391 552298005 /nfs/dbraw/zinc/29/80/05/552298005.db2.gz RWOLXRDHFVRUFZ-UHFFFAOYSA-N -1 3 590.574 4.441 50 5 KIBAHM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)OCCOCCOCCOCCO3)c(C(F)(F)F)c1 ZINC000004329316 552457476 /nfs/dbraw/zinc/45/74/76/552457476.db2.gz UKVAAIIDTQAOHN-UHFFFAOYSA-N -1 3 517.413 4.086 50 5 KIBAHM CCOc1ccc([N-]C(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c([N+](=O)[O-])c1 ZINC000008721301 553129514 /nfs/dbraw/zinc/12/95/14/553129514.db2.gz XIBHDRVPGVWKBG-UHFFFAOYSA-N -1 3 504.366 4.128 50 5 KIBAHM COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1[O-] ZINC000009233159 553224185 /nfs/dbraw/zinc/22/41/85/553224185.db2.gz URSJZLFWYYHNRE-OVCLIPMQSA-N -1 3 512.281 4.150 50 5 KIBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc5c(cc4[N+](=O)[O-])OCCO5)cc3n2)cc1 ZINC000011667405 553340172 /nfs/dbraw/zinc/34/01/72/553340172.db2.gz JDGRJOJQNQINCT-UHFFFAOYSA-N -1 3 515.404 4.355 50 5 KIBAHM CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000011757990 553341493 /nfs/dbraw/zinc/34/14/93/553341493.db2.gz YCJPTNSHVFEFTQ-UHFFFAOYSA-N -1 3 528.930 4.446 50 5 KIBAHM CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011757991 553341511 /nfs/dbraw/zinc/34/15/11/553341511.db2.gz SJBHSHFANNUARY-UHFFFAOYSA-N -1 3 528.930 4.446 50 5 KIBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 ZINC000012549918 553392658 /nfs/dbraw/zinc/39/26/58/553392658.db2.gz FMWXXMHYONYYDM-UHFFFAOYSA-N -1 3 510.572 4.079 50 5 KIBAHM CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015277502 553530703 /nfs/dbraw/zinc/53/07/03/553530703.db2.gz CVMYVATYIRSOKR-UHFFFAOYSA-N -1 3 504.521 4.364 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000017750479 553599678 /nfs/dbraw/zinc/59/96/78/553599678.db2.gz LAWHJOWCNVZMAM-ZRBLBEILSA-N -1 3 509.902 4.317 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000017837254 553599995 /nfs/dbraw/zinc/59/99/95/553599995.db2.gz RJBSDGADCGPIIN-SDHSZQHLSA-N -1 3 503.511 4.280 50 5 KIBAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018083881 553603790 /nfs/dbraw/zinc/60/37/90/553603790.db2.gz FEIXJYOIIGFHJV-GVAUOCQISA-N -1 3 503.511 4.443 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018125925 553605462 /nfs/dbraw/zinc/60/54/62/553605462.db2.gz LJQNYGCQFZJHGA-ZRBLBEILSA-N -1 3 509.902 4.317 50 5 KIBAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020646175 553685250 /nfs/dbraw/zinc/68/52/50/553685250.db2.gz IBCOWQCOZRUDAI-UHFFFAOYSA-N -1 3 507.601 4.292 50 5 KIBAHM COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C=C([O-])C(=O)Nc1c(C)cccc1C ZINC000025574364 553810437 /nfs/dbraw/zinc/81/04/37/553810437.db2.gz CLKGBFCZWZTXKV-UHFFFAOYSA-N -1 3 513.510 4.166 50 5 KIBAHM COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000027527537 553830422 /nfs/dbraw/zinc/83/04/22/553830422.db2.gz NFZKFZLEXBAKAF-UHFFFAOYSA-N -1 3 510.890 4.035 50 5 KIBAHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000033353513 553925684 /nfs/dbraw/zinc/92/56/84/553925684.db2.gz UEFRLPVVUDGEGO-UHFFFAOYSA-N -1 3 548.467 4.129 50 5 KIBAHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000033354109 553928470 /nfs/dbraw/zinc/92/84/70/553928470.db2.gz ZWOXGPHYVVZOTH-UHFFFAOYSA-N -1 3 564.535 4.488 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1CC ZINC000096203556 553727784 /nfs/dbraw/zinc/72/77/84/553727784.db2.gz AMGUZDMNVLYCSM-CQSZACIVSA-N -1 3 519.555 4.380 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1CC ZINC000096203557 553727746 /nfs/dbraw/zinc/72/77/46/553727746.db2.gz AMGUZDMNVLYCSM-AWEZNQCLSA-N -1 3 519.555 4.380 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)C ZINC000096203585 553727788 /nfs/dbraw/zinc/72/77/88/553727788.db2.gz VNUJVTXFGQFDOJ-OAHLLOKOSA-N -1 3 519.580 4.073 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)C ZINC000096203586 553727791 /nfs/dbraw/zinc/72/77/91/553727791.db2.gz VNUJVTXFGQFDOJ-HNNXBMFYSA-N -1 3 519.580 4.073 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000096203613 553727824 /nfs/dbraw/zinc/72/78/24/553727824.db2.gz WIGVTNRQLIDHIW-UHFFFAOYSA-N -1 3 527.603 4.016 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000096203614 553727757 /nfs/dbraw/zinc/72/77/57/553727757.db2.gz RXSCYYLPUMVLTH-UHFFFAOYSA-N -1 3 527.603 4.112 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000096203615 553727822 /nfs/dbraw/zinc/72/78/22/553727822.db2.gz NZFBKYFKUHGPGM-QGZVFWFLSA-N -1 3 529.619 4.405 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000096203616 553728017 /nfs/dbraw/zinc/72/80/17/553728017.db2.gz NZFBKYFKUHGPGM-KRWDZBQOSA-N -1 3 529.619 4.405 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000096203619 553728063 /nfs/dbraw/zinc/72/80/63/553728063.db2.gz VMXBAKSVHJHCAW-UHFFFAOYSA-N -1 3 527.603 4.016 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000096203621 553728134 /nfs/dbraw/zinc/72/81/34/553728134.db2.gz IJODHFAVGZGEFL-MRXNPFEDSA-N -1 3 527.603 4.159 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000096203622 553728097 /nfs/dbraw/zinc/72/80/97/553728097.db2.gz IJODHFAVGZGEFL-INIZCTEOSA-N -1 3 527.603 4.159 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)(C)C ZINC000096203632 553728113 /nfs/dbraw/zinc/72/81/13/553728113.db2.gz PSKPIGYPQMRSHK-OAHLLOKOSA-N -1 3 509.629 4.110 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)(C)C ZINC000096203633 553728024 /nfs/dbraw/zinc/72/80/24/553728024.db2.gz PSKPIGYPQMRSHK-HNNXBMFYSA-N -1 3 509.629 4.110 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000096203640 553728102 /nfs/dbraw/zinc/72/81/02/553728102.db2.gz LWMYYHJYUBFBLE-CABCVRRESA-N -1 3 509.629 4.252 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1C(C)(C)C ZINC000096203641 553728047 /nfs/dbraw/zinc/72/80/47/553728047.db2.gz LWMYYHJYUBFBLE-GJZGRUSLSA-N -1 3 509.629 4.252 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1C(C)(C)C ZINC000096203642 553728032 /nfs/dbraw/zinc/72/80/32/553728032.db2.gz LWMYYHJYUBFBLE-HUUCEWRRSA-N -1 3 509.629 4.252 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1C(C)(C)C ZINC000096203643 553728007 /nfs/dbraw/zinc/72/80/07/553728007.db2.gz LWMYYHJYUBFBLE-LSDHHAIUSA-N -1 3 509.629 4.252 50 5 KIBAHM CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000096203646 553728128 /nfs/dbraw/zinc/72/81/28/553728128.db2.gz KJRSADZSLFZNMO-HNNXBMFYSA-N -1 3 509.629 4.206 50 5 KIBAHM CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000096203647 553727987 /nfs/dbraw/zinc/72/79/87/553727987.db2.gz KJRSADZSLFZNMO-OAHLLOKOSA-N -1 3 509.629 4.206 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000096203657 553728357 /nfs/dbraw/zinc/72/83/57/553728357.db2.gz QZBZCIYFDOAVHZ-UHFFFAOYSA-N -1 3 509.629 4.110 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203662 553728371 /nfs/dbraw/zinc/72/83/71/553728371.db2.gz OIQMWRBBZNOPMV-CQSZACIVSA-N -1 3 509.629 4.252 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203663 553728330 /nfs/dbraw/zinc/72/83/30/553728330.db2.gz OIQMWRBBZNOPMV-AWEZNQCLSA-N -1 3 509.629 4.252 50 5 KIBAHM CCCN(C)C(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203665 553728302 /nfs/dbraw/zinc/72/83/02/553728302.db2.gz ABKFIJBDRSNRHI-UHFFFAOYSA-N -1 3 509.629 4.206 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000096203679 553728360 /nfs/dbraw/zinc/72/83/60/553728360.db2.gz JGJAPHLKICLUCD-UHFFFAOYSA-N -1 3 529.619 4.201 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000096203686 553728294 /nfs/dbraw/zinc/72/82/94/553728294.db2.gz GUEZCXADJSEANK-KRWDZBQOSA-N -1 3 529.619 4.440 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000096203687 553728333 /nfs/dbraw/zinc/72/83/33/553728333.db2.gz GUEZCXADJSEANK-QGZVFWFLSA-N -1 3 529.619 4.440 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000096203695 553728313 /nfs/dbraw/zinc/72/83/13/553728313.db2.gz IBBCDXWCRYWDCP-UHFFFAOYSA-N -1 3 527.603 4.194 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203697 553728363 /nfs/dbraw/zinc/72/83/63/553728363.db2.gz AUPAYIYTPCQNQU-MRXNPFEDSA-N -1 3 529.619 4.486 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203698 553728350 /nfs/dbraw/zinc/72/83/50/553728350.db2.gz AUPAYIYTPCQNQU-INIZCTEOSA-N -1 3 529.619 4.486 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000096203832 553728659 /nfs/dbraw/zinc/72/86/59/553728659.db2.gz JQHHBJRLZXTTDJ-UHFFFAOYSA-N -1 3 515.592 4.098 50 5 KIBAHM Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000096203833 553728639 /nfs/dbraw/zinc/72/86/39/553728639.db2.gz JHRLMTKTXIPYCB-UHFFFAOYSA-N -1 3 527.603 4.077 50 5 KIBAHM Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000096203835 553728626 /nfs/dbraw/zinc/72/86/26/553728626.db2.gz XPZNMFLBEMHIPT-UHFFFAOYSA-N -1 3 529.619 4.323 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000096203836 553728697 /nfs/dbraw/zinc/72/86/97/553728697.db2.gz FYAOAZQSSFPRJP-UHFFFAOYSA-N -1 3 527.603 4.077 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000096203837 553728610 /nfs/dbraw/zinc/72/86/10/553728610.db2.gz FWTSKXOYNXCFAT-UHFFFAOYSA-N -1 3 529.619 4.325 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000096203838 553728679 /nfs/dbraw/zinc/72/86/79/553728679.db2.gz MYUOQQPVVLCNDD-UHFFFAOYSA-N -1 3 527.603 4.079 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000096203839 553728686 /nfs/dbraw/zinc/72/86/86/553728686.db2.gz VWUQJBIQFNGSDL-UHFFFAOYSA-N -1 3 527.603 4.077 50 5 KIBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000096203840 553728613 /nfs/dbraw/zinc/72/86/13/553728613.db2.gz HXXHCRMOJZNQIA-UHFFFAOYSA-N -1 3 527.603 4.079 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCC)nn1-c1cc(C)ccc1C ZINC000096203841 553728701 /nfs/dbraw/zinc/72/87/01/553728701.db2.gz ADYDTKXGTCJQHP-UHFFFAOYSA-N -1 3 529.619 4.326 50 5 KIBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000096203842 553728617 /nfs/dbraw/zinc/72/86/17/553728617.db2.gz LTOGLBXMDJBYQN-UHFFFAOYSA-N -1 3 529.619 4.325 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCC)nn1-c1cccc(C)c1C ZINC000096203843 553728682 /nfs/dbraw/zinc/72/86/82/553728682.db2.gz HSUPTNSQECHELY-UHFFFAOYSA-N -1 3 529.619 4.326 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000096203848 553728605 /nfs/dbraw/zinc/72/86/05/553728605.db2.gz VECKJVQCHVBEMN-UHFFFAOYSA-N -1 3 529.619 4.264 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1ccc(C)cc1 ZINC000096278825 553735423 /nfs/dbraw/zinc/73/54/23/553735423.db2.gz KWARNTGJTWRYGC-MRXNPFEDSA-N -1 3 527.603 4.159 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1ccc(C)cc1 ZINC000096278826 553735399 /nfs/dbraw/zinc/73/53/99/553735399.db2.gz KWARNTGJTWRYGC-INIZCTEOSA-N -1 3 527.603 4.159 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(C)cc1 ZINC000096278842 553735386 /nfs/dbraw/zinc/73/53/86/553735386.db2.gz BYXCGTNSMLPKQL-QGZVFWFLSA-N -1 3 529.619 4.405 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1ccc(C)cc1 ZINC000096278843 553735392 /nfs/dbraw/zinc/73/53/92/553735392.db2.gz BYXCGTNSMLPKQL-KRWDZBQOSA-N -1 3 529.619 4.405 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000096279177 553736039 /nfs/dbraw/zinc/73/60/39/553736039.db2.gz ALSNHPZMZVAPGD-KRWDZBQOSA-N -1 3 529.619 4.406 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000096279178 553736056 /nfs/dbraw/zinc/73/60/56/553736056.db2.gz ALSNHPZMZVAPGD-QGZVFWFLSA-N -1 3 529.619 4.406 50 5 KIBAHM CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000096291869 553745375 /nfs/dbraw/zinc/74/53/75/553745375.db2.gz LDTYOHIRSSGLBM-UHFFFAOYSA-N -1 3 527.603 4.079 50 5 KIBAHM Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000096291887 553745369 /nfs/dbraw/zinc/74/53/69/553745369.db2.gz QFYYPRQSGMZSMS-UHFFFAOYSA-N -1 3 527.603 4.077 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000096297356 553748361 /nfs/dbraw/zinc/74/83/61/553748361.db2.gz LAWHJOWCNVZMAM-ZLNRFVROSA-N -1 3 509.902 4.317 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000097954174 553821983 /nfs/dbraw/zinc/82/19/83/553821983.db2.gz FYPNFKXDECGYAK-BDTNDASRSA-N -1 3 540.326 4.123 50 5 KIBAHM O=C1Nc2ccc(Cl)cc2[C@@]12C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000097954534 553823825 /nfs/dbraw/zinc/82/38/25/553823825.db2.gz RPTKCNLFCBXWBF-ZGZOUGAKSA-N -1 3 528.952 4.263 50 5 KIBAHM O=C1Nc2ccc(Cl)cc2[C@@]12C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000097954536 553823816 /nfs/dbraw/zinc/82/38/16/553823816.db2.gz RPTKCNLFCBXWBF-SAYRZEODSA-N -1 3 528.952 4.263 50 5 KIBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000097954900 553826435 /nfs/dbraw/zinc/82/64/35/553826435.db2.gz HNVLDXYMDUHYGF-BDTNDASRSA-N -1 3 524.327 4.417 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000097955080 553828421 /nfs/dbraw/zinc/82/84/21/553828421.db2.gz JKHDSYGWXDPJOK-IMSXRSKXSA-N -1 3 539.928 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000097955106 553828833 /nfs/dbraw/zinc/82/88/33/553828833.db2.gz UFSNNNOBEIVFME-IMSXRSKXSA-N -1 3 539.928 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000097955279 553830578 /nfs/dbraw/zinc/83/05/78/553830578.db2.gz SITBJMVEILNJBS-BDTNDASRSA-N -1 3 524.327 4.417 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000098000142 554048784 /nfs/dbraw/zinc/04/87/84/554048784.db2.gz JDEKMCAUEFMCIR-ZRBLBEILSA-N -1 3 554.353 4.426 50 5 KIBAHM Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000100851231 554492729 /nfs/dbraw/zinc/49/27/29/554492729.db2.gz GPEIUVFPXJHHIO-IRLDBZIGSA-N -1 3 505.328 4.448 50 5 KIBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1)c1cccs1 ZINC000101036558 554565506 /nfs/dbraw/zinc/56/55/06/554565506.db2.gz GKKQIBVREOUKFK-UHFFFAOYSA-N -1 3 516.538 4.225 50 5 KIBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1)c1cccs1 ZINC000101036560 554565528 /nfs/dbraw/zinc/56/55/28/554565528.db2.gz FWPYGKOCCSOVFZ-UHFFFAOYSA-N -1 3 516.538 4.225 50 5 KIBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)s1)c1cccs1 ZINC000101036562 554565536 /nfs/dbraw/zinc/56/55/36/554565536.db2.gz KEASWMIEEXOQNI-UHFFFAOYSA-N -1 3 516.538 4.225 50 5 KIBAHM Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000101070636 554574982 /nfs/dbraw/zinc/57/49/82/554574982.db2.gz GPEIUVFPXJHHIO-UNMCSNQZSA-N -1 3 505.328 4.448 50 5 KIBAHM Cc1cc([N+](=O)[O-])ccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc(Br)cc3)c-2c1=O ZINC000101070636 554574978 /nfs/dbraw/zinc/57/49/78/554574978.db2.gz GPEIUVFPXJHHIO-UNMCSNQZSA-N -1 3 505.328 4.448 50 5 KIBAHM Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000101070639 554574990 /nfs/dbraw/zinc/57/49/90/554574990.db2.gz GPEIUVFPXJHHIO-RBBKRZOGSA-N -1 3 505.328 4.448 50 5 KIBAHM Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c1O ZINC000101070640 554575019 /nfs/dbraw/zinc/57/50/19/554575019.db2.gz GPEIUVFPXJHHIO-IFMALSPDSA-N -1 3 505.328 4.448 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000101100680 554587664 /nfs/dbraw/zinc/58/76/64/554587664.db2.gz FYPNFKXDECGYAK-VSKRKVRLSA-N -1 3 540.326 4.123 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126027 554645179 /nfs/dbraw/zinc/64/51/79/554645179.db2.gz LJQNYGCQFZJHGA-ZLNRFVROSA-N -1 3 509.902 4.317 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101128882 554647419 /nfs/dbraw/zinc/64/74/19/554647419.db2.gz JDEKMCAUEFMCIR-ZLNRFVROSA-N -1 3 554.353 4.426 50 5 KIBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101159115 554659365 /nfs/dbraw/zinc/65/93/65/554659365.db2.gz XXNYYPINKCEHAO-VSKRKVRLSA-N -1 3 524.327 4.417 50 5 KIBAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101186339 554669231 /nfs/dbraw/zinc/66/92/31/554669231.db2.gz FEIXJYOIIGFHJV-SDHSZQHLSA-N -1 3 503.511 4.443 50 5 KIBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000101194755 554672055 /nfs/dbraw/zinc/67/20/55/554672055.db2.gz HNVLDXYMDUHYGF-VSKRKVRLSA-N -1 3 524.327 4.417 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101222259 554687389 /nfs/dbraw/zinc/68/73/89/554687389.db2.gz JKHDSYGWXDPJOK-LGVFNWMJSA-N -1 3 539.928 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101226566 554688911 /nfs/dbraw/zinc/68/89/11/554688911.db2.gz UFSNNNOBEIVFME-LGVFNWMJSA-N -1 3 539.928 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101240876 554693168 /nfs/dbraw/zinc/69/31/68/554693168.db2.gz SITBJMVEILNJBS-VSKRKVRLSA-N -1 3 524.327 4.417 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101249861 554694117 /nfs/dbraw/zinc/69/41/17/554694117.db2.gz RJBSDGADCGPIIN-GVAUOCQISA-N -1 3 503.511 4.280 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000101669749 554823013 /nfs/dbraw/zinc/82/30/13/554823013.db2.gz KDQRKIRJGGNYDL-XJUOHMSHSA-N -1 3 554.353 4.118 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000101859609 554844293 /nfs/dbraw/zinc/84/42/93/554844293.db2.gz CLMXNNYCPXOECG-UHFFFAOYSA-N -1 3 541.630 4.325 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000101859618 554844309 /nfs/dbraw/zinc/84/43/09/554844309.db2.gz KGSDRQVRFYLLRA-UHFFFAOYSA-N -1 3 541.630 4.325 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861536 554844540 /nfs/dbraw/zinc/84/45/40/554844540.db2.gz GNVNYRHGJARKMU-UHFFFAOYSA-N -1 3 541.630 4.325 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861546 554844508 /nfs/dbraw/zinc/84/45/08/554844508.db2.gz XFMFJQMXKZLSLD-QFIPXVFZSA-N -1 3 585.683 4.341 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861549 554844441 /nfs/dbraw/zinc/84/44/41/554844441.db2.gz XFMFJQMXKZLSLD-JOCHJYFZSA-N -1 3 585.683 4.341 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861568 554844517 /nfs/dbraw/zinc/84/45/17/554844517.db2.gz BHZIMTUWHGTHEQ-QFIPXVFZSA-N -1 3 571.656 4.033 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861570 554844573 /nfs/dbraw/zinc/84/45/73/554844573.db2.gz BHZIMTUWHGTHEQ-JOCHJYFZSA-N -1 3 571.656 4.033 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861594 554844524 /nfs/dbraw/zinc/84/45/24/554844524.db2.gz AQWYPQTVRSDSDB-QFIPXVFZSA-N -1 3 585.683 4.341 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861598 554844493 /nfs/dbraw/zinc/84/44/93/554844493.db2.gz AQWYPQTVRSDSDB-JOCHJYFZSA-N -1 3 585.683 4.341 50 5 KIBAHM CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C ZINC000101861630 554844883 /nfs/dbraw/zinc/84/48/83/554844883.db2.gz KKJGRQLKYCHRIY-UHFFFAOYSA-N -1 3 555.535 4.004 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917685 554850930 /nfs/dbraw/zinc/85/09/30/554850930.db2.gz BOEDNHOVJMMYHG-UHFFFAOYSA-N -1 3 541.630 4.421 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917703 554850891 /nfs/dbraw/zinc/85/08/91/554850891.db2.gz SVFVXMIGMQCILK-NRFANRHFSA-N -1 3 571.656 4.094 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917707 554850887 /nfs/dbraw/zinc/85/08/87/554850887.db2.gz SVFVXMIGMQCILK-OAQYLSRUSA-N -1 3 571.656 4.094 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917758 554850963 /nfs/dbraw/zinc/85/09/63/554850963.db2.gz YIMWIDKBABJYHB-UHFFFAOYSA-N -1 3 553.597 4.399 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917794 554851243 /nfs/dbraw/zinc/85/12/43/554851243.db2.gz LNNWFIXRFDUNGT-UHFFFAOYSA-N -1 3 541.630 4.421 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917813 554851193 /nfs/dbraw/zinc/85/11/93/554851193.db2.gz MUKKZXZOQUIDHT-NRFANRHFSA-N -1 3 571.656 4.094 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917817 554851188 /nfs/dbraw/zinc/85/11/88/554851188.db2.gz MUKKZXZOQUIDHT-OAQYLSRUSA-N -1 3 571.656 4.094 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000102033322 554868275 /nfs/dbraw/zinc/86/82/75/554868275.db2.gz NCRHYBLFPMQSOX-QGZVFWFLSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000102033328 554868347 /nfs/dbraw/zinc/86/83/47/554868347.db2.gz NCRHYBLFPMQSOX-KRWDZBQOSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000102033337 554868327 /nfs/dbraw/zinc/86/83/27/554868327.db2.gz DNQDHSAIJXKCLJ-MRXNPFEDSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000102033343 554868316 /nfs/dbraw/zinc/86/83/16/554868316.db2.gz DNQDHSAIJXKCLJ-INIZCTEOSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034051 554868565 /nfs/dbraw/zinc/86/85/65/554868565.db2.gz RLERSWGIFRSNOK-KNQAVFIVSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034055 554868601 /nfs/dbraw/zinc/86/86/01/554868601.db2.gz RLERSWGIFRSNOK-UGKGYDQZSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034058 554868620 /nfs/dbraw/zinc/86/86/20/554868620.db2.gz RLERSWGIFRSNOK-DENIHFKCSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cc(C)ccc1C ZINC000102034063 554868581 /nfs/dbraw/zinc/86/85/81/554868581.db2.gz RLERSWGIFRSNOK-SIKLNZKXSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034118 554868536 /nfs/dbraw/zinc/86/85/36/554868536.db2.gz JRYNIRVVRFJABS-GCJKJVERSA-N -1 3 571.656 4.175 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034124 554868591 /nfs/dbraw/zinc/86/85/91/554868591.db2.gz JRYNIRVVRFJABS-AVRDEDQJSA-N -1 3 571.656 4.175 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034127 554868629 /nfs/dbraw/zinc/86/86/29/554868629.db2.gz JRYNIRVVRFJABS-XMSQKQJNSA-N -1 3 571.656 4.175 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(C)cc1 ZINC000102034130 554868576 /nfs/dbraw/zinc/86/85/76/554868576.db2.gz JRYNIRVVRFJABS-PGRDOPGGSA-N -1 3 571.656 4.175 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000102034218 554868859 /nfs/dbraw/zinc/86/88/59/554868859.db2.gz HWYCOPQENZCKQZ-MRXNPFEDSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(C)c1C ZINC000102034223 554868806 /nfs/dbraw/zinc/86/88/06/554868806.db2.gz HWYCOPQENZCKQZ-INIZCTEOSA-N -1 3 541.630 4.467 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034228 554868741 /nfs/dbraw/zinc/86/87/41/554868741.db2.gz QRGDCEWRJQYIQP-GCJKJVERSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034232 554868845 /nfs/dbraw/zinc/86/88/45/554868845.db2.gz QRGDCEWRJQYIQP-AVRDEDQJSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034235 554868776 /nfs/dbraw/zinc/86/87/76/554868776.db2.gz QRGDCEWRJQYIQP-XMSQKQJNSA-N -1 3 585.683 4.484 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(C)c1C ZINC000102034238 554868786 /nfs/dbraw/zinc/86/87/86/554868786.db2.gz QRGDCEWRJQYIQP-PGRDOPGGSA-N -1 3 585.683 4.484 50 5 KIBAHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cc2ccc(O)c(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)ccc1[O-] ZINC000102507701 554945258 /nfs/dbraw/zinc/94/52/58/554945258.db2.gz MSIWXFRXRBTOKC-UHFFFAOYSA-N -1 3 580.465 4.106 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102558642 554965876 /nfs/dbraw/zinc/96/58/76/554965876.db2.gz SOCZUBKHWHVTLQ-ZONZVBGPSA-N -1 3 571.567 4.414 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102558645 554965859 /nfs/dbraw/zinc/96/58/59/554965859.db2.gz SOCZUBKHWHVTLQ-KWXIBIRDSA-N -1 3 571.567 4.414 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000102740576 555029546 /nfs/dbraw/zinc/02/95/46/555029546.db2.gz FYPNFKXDECGYAK-YPAWHYETSA-N -1 3 540.326 4.123 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102742119 555030962 /nfs/dbraw/zinc/03/09/62/555030962.db2.gz LAWHJOWCNVZMAM-DNVJHFABSA-N -1 3 509.902 4.317 50 5 KIBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000102755400 555047373 /nfs/dbraw/zinc/04/73/73/555047373.db2.gz XXNYYPINKCEHAO-YPAWHYETSA-N -1 3 524.327 4.417 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000102758623 555050583 /nfs/dbraw/zinc/05/05/83/555050583.db2.gz QWUODKRCDPQNSH-ISJGIBHGSA-N -1 3 519.510 4.062 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000102758624 555050653 /nfs/dbraw/zinc/05/06/53/555050653.db2.gz QWUODKRCDPQNSH-UBFVSLLYSA-N -1 3 519.510 4.062 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000102759380 555051195 /nfs/dbraw/zinc/05/11/95/555051195.db2.gz BJUJRUBMXKWMAE-ISJGIBHGSA-N -1 3 519.510 4.062 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000102759382 555051190 /nfs/dbraw/zinc/05/11/90/555051190.db2.gz BJUJRUBMXKWMAE-UBFVSLLYSA-N -1 3 519.510 4.062 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102759875 555051791 /nfs/dbraw/zinc/05/17/91/555051791.db2.gz IKQUMOKDPCFEJQ-CCDWMCETSA-N -1 3 519.510 4.149 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102759878 555051843 /nfs/dbraw/zinc/05/18/43/555051843.db2.gz IKQUMOKDPCFEJQ-DSNGMDLFSA-N -1 3 519.510 4.149 50 5 KIBAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102759886 555051743 /nfs/dbraw/zinc/05/17/43/555051743.db2.gz FEIXJYOIIGFHJV-UBFVSLLYSA-N -1 3 503.511 4.443 50 5 KIBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000102760781 555052533 /nfs/dbraw/zinc/05/25/33/555052533.db2.gz HNVLDXYMDUHYGF-YPAWHYETSA-N -1 3 524.327 4.417 50 5 KIBAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000102761441 555052726 /nfs/dbraw/zinc/05/27/26/555052726.db2.gz FQNHOCGMAWGFMS-DSNGMDLFSA-N -1 3 503.511 4.226 50 5 KIBAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000102761444 555052651 /nfs/dbraw/zinc/05/26/51/555052651.db2.gz FQNHOCGMAWGFMS-UBFVSLLYSA-N -1 3 503.511 4.226 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102762630 555053412 /nfs/dbraw/zinc/05/34/12/555053412.db2.gz PYWWPPKIHWRSDQ-PPJWLVRDSA-N -1 3 549.536 4.070 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102762631 555053223 /nfs/dbraw/zinc/05/32/23/555053223.db2.gz PYWWPPKIHWRSDQ-JQYIIUTOSA-N -1 3 549.536 4.070 50 5 KIBAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102763424 555054093 /nfs/dbraw/zinc/05/40/93/555054093.db2.gz RADCEGHLIMOCJX-JCYRPKCISA-N -1 3 533.537 4.234 50 5 KIBAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102763427 555054193 /nfs/dbraw/zinc/05/41/93/555054193.db2.gz RADCEGHLIMOCJX-MVERNJQCSA-N -1 3 533.537 4.234 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000102763718 555054087 /nfs/dbraw/zinc/05/40/87/555054087.db2.gz JKHDSYGWXDPJOK-PQNGQFLHSA-N -1 3 539.928 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000102764474 555054300 /nfs/dbraw/zinc/05/43/00/555054300.db2.gz UFSNNNOBEIVFME-PQNGQFLHSA-N -1 3 539.928 4.325 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000102765603 555054750 /nfs/dbraw/zinc/05/47/50/555054750.db2.gz ZYJAUJFJYYVXMJ-JCYRPKCISA-N -1 3 549.536 4.070 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000102765605 555054711 /nfs/dbraw/zinc/05/47/11/555054711.db2.gz ZYJAUJFJYYVXMJ-MVERNJQCSA-N -1 3 549.536 4.070 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102766638 555055506 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COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102884741 555114530 /nfs/dbraw/zinc/11/45/30/555114530.db2.gz RJTYUCOHLBWUEK-VSKRKVRLSA-N -1 3 569.324 4.325 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102884745 555114461 /nfs/dbraw/zinc/11/44/61/555114461.db2.gz RJTYUCOHLBWUEK-BDTNDASRSA-N -1 3 569.324 4.325 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102890626 555125881 /nfs/dbraw/zinc/12/58/81/555125881.db2.gz OOYIYJUIOLYHID-ZONZVBGPSA-N -1 3 571.567 4.414 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102890629 555125842 /nfs/dbraw/zinc/12/58/42/555125842.db2.gz OOYIYJUIOLYHID-KWXIBIRDSA-N -1 3 571.567 4.414 50 5 KIBAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000102912233 555142926 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COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000102917693 555144432 /nfs/dbraw/zinc/14/44/32/555144432.db2.gz NRMQXNDENAVQLR-XPWALMASSA-N -1 3 533.562 4.373 50 5 KIBAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)c2)cc1 ZINC000102934247 555161555 /nfs/dbraw/zinc/16/15/55/555161555.db2.gz AVEGVJORCWWJMT-UHFFFAOYSA-N -1 3 557.581 4.215 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102973949 555183906 /nfs/dbraw/zinc/18/39/06/555183906.db2.gz JDEKMCAUEFMCIR-DNVJHFABSA-N -1 3 554.353 4.426 50 5 KIBAHM CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c1C ZINC000102975074 555184609 /nfs/dbraw/zinc/18/46/09/555184609.db2.gz KBLHVAKSXNPYRI-LJQANCHMSA-N -1 3 600.650 4.361 50 5 KIBAHM CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c1C ZINC000102975077 555184578 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CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1ccc(F)cc1 ZINC000103048036 555229731 /nfs/dbraw/zinc/22/97/31/555229731.db2.gz FTDXTOKPNVLPJZ-INIZCTEOSA-N -1 3 547.609 4.483 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103048328 555229717 /nfs/dbraw/zinc/22/97/17/555229717.db2.gz KPPRKYXPLOYEFJ-NRFANRHFSA-N -1 3 592.074 4.378 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103048330 555229710 /nfs/dbraw/zinc/22/97/10/555229710.db2.gz KPPRKYXPLOYEFJ-OAQYLSRUSA-N -1 3 592.074 4.378 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103056064 555237436 /nfs/dbraw/zinc/23/74/36/555237436.db2.gz QMAIJKQATRUZDI-UHFFFAOYSA-N -1 3 545.618 4.106 50 5 KIBAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000103063214 555244006 /nfs/dbraw/zinc/24/40/06/555244006.db2.gz 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Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103395978 555381195 /nfs/dbraw/zinc/38/11/95/555381195.db2.gz FCIJPFQUZLRGKI-UHFFFAOYSA-N -1 3 571.999 4.498 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103395990 555381201 /nfs/dbraw/zinc/38/12/01/555381201.db2.gz FFTSUYCBIJJMSR-UHFFFAOYSA-N -1 3 545.593 4.333 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103396022 555381440 /nfs/dbraw/zinc/38/14/40/555381440.db2.gz BKAWCQYJFPLELQ-UHFFFAOYSA-N -1 3 546.005 4.211 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1 ZINC000103396026 555381449 /nfs/dbraw/zinc/38/14/49/555381449.db2.gz UVBRUUUAMHUGTO-QGZVFWFLSA-N -1 3 582.614 4.422 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1 ZINC000103396028 555381475 /nfs/dbraw/zinc/38/14/75/555381475.db2.gz 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CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(F)cc1 ZINC000103396069 555381337 /nfs/dbraw/zinc/38/13/37/555381337.db2.gz HTWPLIGOAUCHDY-HRAATJIYSA-N -1 3 575.619 4.006 50 5 KIBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103396139 555381879 /nfs/dbraw/zinc/38/18/79/555381879.db2.gz APRMWQAETCQSAE-UHFFFAOYSA-N -1 3 578.651 4.449 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103396220 555381829 /nfs/dbraw/zinc/38/18/29/555381829.db2.gz ASKPXOKSEMBRAK-UHFFFAOYSA-N -1 3 547.609 4.483 50 5 KIBAHM CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103396223 555381739 /nfs/dbraw/zinc/38/17/39/555381739.db2.gz DHIGWPQIGUCPLX-UHFFFAOYSA-N -1 3 533.582 4.237 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103396253 555381840 /nfs/dbraw/zinc/38/18/40/555381840.db2.gz 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ZINC000103402742 555389063 /nfs/dbraw/zinc/38/90/63/555389063.db2.gz DGFBFUYEZYVGBL-FQEVSTJZSA-N -1 3 575.619 4.006 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103402744 555389104 /nfs/dbraw/zinc/38/91/04/555389104.db2.gz DGFBFUYEZYVGBL-HXUWFJFHSA-N -1 3 575.619 4.006 50 5 KIBAHM CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103403849 555390010 /nfs/dbraw/zinc/39/00/10/555390010.db2.gz YMEZZDDNSMOULD-HNNXBMFYSA-N -1 3 533.582 4.237 50 5 KIBAHM CCCNC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000103403851 555390042 /nfs/dbraw/zinc/39/00/42/555390042.db2.gz YMEZZDDNSMOULD-OAHLLOKOSA-N -1 3 533.582 4.237 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103403855 555389877 /nfs/dbraw/zinc/38/98/77/555389877.db2.gz YVKVDFPGHDPZBD-UHFFFAOYSA-N -1 3 548.021 4.361 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103403943 555389897 /nfs/dbraw/zinc/38/98/97/555389897.db2.gz ULLVXRXZRSNLKP-KRWDZBQOSA-N -1 3 559.645 4.449 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2ccc(OC)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000103403945 555389860 /nfs/dbraw/zinc/38/98/60/555389860.db2.gz ULLVXRXZRSNLKP-QGZVFWFLSA-N -1 3 559.645 4.449 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103403967 555390185 /nfs/dbraw/zinc/39/01/85/555390185.db2.gz AYQZMMDIZRLBEP-QGZVFWFLSA-N -1 3 553.597 4.481 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103403969 555390267 /nfs/dbraw/zinc/39/02/67/555390267.db2.gz AYQZMMDIZRLBEP-KRWDZBQOSA-N -1 3 553.597 4.481 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccccc1 ZINC000103404019 555390253 /nfs/dbraw/zinc/39/02/53/555390253.db2.gz KZHGVLXNHOZSCE-GOSISDBHSA-N -1 3 564.624 4.283 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccccc1 ZINC000103404021 555390278 /nfs/dbraw/zinc/39/02/78/555390278.db2.gz KZHGVLXNHOZSCE-SFHVURJKSA-N -1 3 564.624 4.283 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(OC)cc1 ZINC000103404060 555390213 /nfs/dbraw/zinc/39/02/13/555390213.db2.gz QWOHICNVJPEJRP-QGZVFWFLSA-N -1 3 557.629 4.203 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(OC)cc1 ZINC000103404062 555390336 /nfs/dbraw/zinc/39/03/36/555390336.db2.gz QWOHICNVJPEJRP-KRWDZBQOSA-N -1 3 557.629 4.203 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103404293 555390597 /nfs/dbraw/zinc/39/05/97/555390597.db2.gz JPRGXUAILTXNES-UHFFFAOYSA-N -1 3 553.597 4.481 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000103425924 555406719 /nfs/dbraw/zinc/40/67/19/555406719.db2.gz VBWBPHVKLBZSTJ-UHFFFAOYSA-N -1 3 541.630 4.421 50 5 KIBAHM CCCN(C)C(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000103425957 555407066 /nfs/dbraw/zinc/40/70/66/555407066.db2.gz KLJVTPSMDPQFIX-UHFFFAOYSA-N -1 3 541.630 4.421 50 5 KIBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103425986 555407038 /nfs/dbraw/zinc/40/70/38/555407038.db2.gz DFCMDJOMPOTTTR-UHFFFAOYSA-N -1 3 576.635 4.264 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103426005 555407061 /nfs/dbraw/zinc/40/70/61/555407061.db2.gz PIFQNBJPBVCHBI-UHFFFAOYSA-N -1 3 565.608 4.462 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccccc1 ZINC000103426061 555407051 /nfs/dbraw/zinc/40/70/51/555407051.db2.gz WAAMHCJVVIGYPE-UHFFFAOYSA-N -1 3 539.570 4.093 50 5 KIBAHM Cc1c(C(=O)NC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103426065 555407092 /nfs/dbraw/zinc/40/70/92/555407092.db2.gz AHJXGMBJFXGTDD-UHFFFAOYSA-N -1 3 533.582 4.093 50 5 KIBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103426083 555407422 /nfs/dbraw/zinc/40/74/22/555407422.db2.gz ARPSCKYEQGIZOL-MRXNPFEDSA-N -1 3 547.609 4.483 50 5 KIBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103426085 555407290 /nfs/dbraw/zinc/40/72/90/555407290.db2.gz ARPSCKYEQGIZOL-INIZCTEOSA-N -1 3 547.609 4.483 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCC)nn1-c1cccc(Cl)c1 ZINC000103426099 555407473 /nfs/dbraw/zinc/40/74/73/555407473.db2.gz VQHBMFYPLXLGEK-UHFFFAOYSA-N -1 3 536.010 4.363 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103426117 555407478 /nfs/dbraw/zinc/40/74/78/555407478.db2.gz WDBJDOPDSIJIGB-FQEVSTJZSA-N -1 3 578.047 4.132 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103426119 555407467 /nfs/dbraw/zinc/40/74/67/555407467.db2.gz WDBJDOPDSIJIGB-HXUWFJFHSA-N -1 3 578.047 4.132 50 5 KIBAHM CCCNC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103426121 555407394 /nfs/dbraw/zinc/40/73/94/555407394.db2.gz XFIFIABMKFPPSF-UHFFFAOYSA-N -1 3 533.582 4.094 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)(C)C ZINC000103426128 555407306 /nfs/dbraw/zinc/40/73/06/555407306.db2.gz IKKVZAWSPNPHJF-OAHLLOKOSA-N -1 3 533.607 4.247 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1C(C)(C)C ZINC000103426130 555407451 /nfs/dbraw/zinc/40/74/51/555407451.db2.gz IKKVZAWSPNPHJF-HNNXBMFYSA-N -1 3 533.607 4.247 50 5 KIBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(F)c1 ZINC000103426161 555407329 /nfs/dbraw/zinc/40/73/29/555407329.db2.gz GULLOLOSKVUTJA-UHFFFAOYSA-N -1 3 533.582 4.094 50 5 KIBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103426186 555407779 /nfs/dbraw/zinc/40/77/79/555407779.db2.gz MPKYXFGVQKSRKK-UHFFFAOYSA-N -1 3 569.562 4.312 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103426191 555407724 /nfs/dbraw/zinc/40/77/24/555407724.db2.gz VWQKSNVCCOWJAE-UHFFFAOYSA-N -1 3 571.587 4.478 50 5 KIBAHM Cc1c(C(=O)N2CCCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103428302 555410594 /nfs/dbraw/zinc/41/05/94/555410594.db2.gz SMKVKLRTNXVHIO-UHFFFAOYSA-N -1 3 546.005 4.211 50 5 KIBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)(C)C ZINC000103428304 555410570 /nfs/dbraw/zinc/41/05/70/555410570.db2.gz IDOSEJPXQAPPCO-UHFFFAOYSA-N -1 3 545.618 4.132 50 5 KIBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103428306 555410714 /nfs/dbraw/zinc/41/07/14/555410714.db2.gz REAKNVPVJWOMJP-UHFFFAOYSA-N -1 3 531.566 4.479 50 5 KIBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103428322 555410625 /nfs/dbraw/zinc/41/06/25/555410625.db2.gz KIFXVGJXAPFPAQ-NRFANRHFSA-N -1 3 571.656 4.175 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103428325 555410642 /nfs/dbraw/zinc/41/06/42/555410642.db2.gz KIFXVGJXAPFPAQ-OAQYLSRUSA-N -1 3 571.656 4.175 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(OC)cc1 ZINC000103428340 555410728 /nfs/dbraw/zinc/41/07/28/555410728.db2.gz RIKGJYXVJWOLPZ-GOSISDBHSA-N -1 3 594.650 4.292 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(OC)cc1 ZINC000103428344 555410578 /nfs/dbraw/zinc/41/05/78/555410578.db2.gz RIKGJYXVJWOLPZ-SFHVURJKSA-N -1 3 594.650 4.292 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(F)c1 ZINC000103428840 555411666 /nfs/dbraw/zinc/41/16/66/555411666.db2.gz WEHXJRVZGSEXFU-MRXNPFEDSA-N -1 3 545.593 4.333 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(F)c1 ZINC000103428843 555411675 /nfs/dbraw/zinc/41/16/75/555411675.db2.gz WEHXJRVZGSEXFU-INIZCTEOSA-N -1 3 545.593 4.333 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103431005 555413207 /nfs/dbraw/zinc/41/32/07/555413207.db2.gz CMQYLYHKXVFFAA-UHFFFAOYSA-N -1 3 551.581 4.153 50 5 KIBAHM Cc1c(C(=O)NC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432362 555414176 /nfs/dbraw/zinc/41/41/76/555414176.db2.gz IIFZVFYQHKYAKU-UHFFFAOYSA-N -1 3 533.582 4.235 50 5 KIBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(Cl)c1 ZINC000103432453 555414572 /nfs/dbraw/zinc/41/45/72/555414572.db2.gz MPLCWBOVOZWWNO-MRXNPFEDSA-N -1 3 578.047 4.084 50 5 KIBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1cccc(Cl)c1 ZINC000103432454 555414808 /nfs/dbraw/zinc/41/48/08/555414808.db2.gz MPLCWBOVOZWWNO-INIZCTEOSA-N -1 3 578.047 4.084 50 5 KIBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432481 555414823 /nfs/dbraw/zinc/41/48/23/555414823.db2.gz SRBPCJONTXGOGQ-UHFFFAOYSA-N -1 3 547.609 4.483 50 5 KIBAHM Cc1c(C(=O)NC2CC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433798 555415703 /nfs/dbraw/zinc/41/57/03/555415703.db2.gz UTQZGAAXCJENPX-UHFFFAOYSA-N -1 3 541.630 4.467 50 5 KIBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)C ZINC000103433804 555415714 /nfs/dbraw/zinc/41/57/14/555415714.db2.gz 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ZINC000103433869 555416097 /nfs/dbraw/zinc/41/60/97/555416097.db2.gz POBJBAAEKCSVBI-NRFANRHFSA-N -1 3 585.683 4.484 50 5 KIBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433871 555416008 /nfs/dbraw/zinc/41/60/08/555416008.db2.gz POBJBAAEKCSVBI-OAQYLSRUSA-N -1 3 585.683 4.484 50 5 KIBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000103433899 555416145 /nfs/dbraw/zinc/41/61/45/555416145.db2.gz IONTVUNQSDWBLG-UHFFFAOYSA-N -1 3 587.561 4.336 50 5 KIBAHM Cc1c(C(=O)N2CCOCC2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433908 555415972 /nfs/dbraw/zinc/41/59/72/555415972.db2.gz KXANETDFBDIVSH-UHFFFAOYSA-N -1 3 571.656 4.047 50 5 KIBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103434010 555416030 /nfs/dbraw/zinc/41/60/30/555416030.db2.gz FSMCNFNDPAOVRP-UHFFFAOYSA-N -1 3 565.608 4.462 50 5 KIBAHM 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COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000169688912 571558512 /nfs/dbraw/zinc/55/85/12/571558512.db2.gz FIYGEGLBLLMZJD-RJGXRXQPSA-N -1 3 533.562 4.373 50 5 KIBAHM Cc1ccc([N+](=O)[O-])c(NC(=O)C([O-])=Cc2nc3cc([N+](=O)[O-])ccc3nc2C(=O)Nc2ccccc2C)c1C ZINC000198723165 571568710 /nfs/dbraw/zinc/56/87/10/571568710.db2.gz ZJJKQBUZVSQEGZ-UHFFFAOYSA-N -1 3 542.508 4.374 50 5 KIBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000225160644 571653338 /nfs/dbraw/zinc/65/33/38/571653338.db2.gz FAQNPEIKAMSWSM-DNVJHFABSA-N -1 3 554.899 4.225 50 5 KIBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000225161020 571653323 /nfs/dbraw/zinc/65/33/23/571653323.db2.gz RJTYUCOHLBWUEK-YPAWHYETSA-N -1 3 569.324 4.325 50 5 KIBAHM Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000225161191 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KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000227082184 572149538 /nfs/dbraw/zinc/14/95/38/572149538.db2.gz FAQNPEIKAMSWSM-YTFSRNRJSA-N -1 3 554.899 4.225 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000227083490 572149814 /nfs/dbraw/zinc/14/98/14/572149814.db2.gz PYWWPPKIHWRSDQ-JCYRPKCISA-N -1 3 549.536 4.070 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227084001 572149839 /nfs/dbraw/zinc/14/98/39/572149839.db2.gz RJTYUCOHLBWUEK-BHDDXSALSA-N -1 3 569.324 4.325 50 5 KIBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000227085326 572149892 /nfs/dbraw/zinc/14/98/92/572149892.db2.gz HNVLDXYMDUHYGF-BHDDXSALSA-N -1 3 524.327 4.417 50 5 KIBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000227085899 572150526 /nfs/dbraw/zinc/15/05/26/572150526.db2.gz UFSNNNOBEIVFME-YZUZCNPQSA-N -1 3 539.928 4.325 50 5 KIBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227236402 572151839 /nfs/dbraw/zinc/15/18/39/572151839.db2.gz OOYIYJUIOLYHID-GMQQYTKMSA-N -1 3 571.567 4.414 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000227238791 572152400 /nfs/dbraw/zinc/15/24/00/572152400.db2.gz KDQRKIRJGGNYDL-QZNHQXDQSA-N -1 3 554.353 4.118 50 5 KIBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000227245394 572153016 /nfs/dbraw/zinc/15/30/16/572153016.db2.gz FYPNFKXDECGYAK-BHDDXSALSA-N -1 3 540.326 4.123 50 5 KIBAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000227245847 572152956 /nfs/dbraw/zinc/15/29/56/572152956.db2.gz FEIXJYOIIGFHJV-ISJGIBHGSA-N -1 3 503.511 4.443 50 5 KIBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000227247052 572152831 /nfs/dbraw/zinc/15/28/31/572152831.db2.gz XXNYYPINKCEHAO-BHDDXSALSA-N -1 3 524.327 4.417 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000229895136 572166592 /nfs/dbraw/zinc/16/65/92/572166592.db2.gz OLGQGZQSNYLOIX-JIMJEQGWSA-N -1 3 533.537 4.452 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000229899025 572167347 /nfs/dbraw/zinc/16/73/47/572167347.db2.gz ZYJAUJFJYYVXMJ-PPJWLVRDSA-N -1 3 549.536 4.070 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000229900597 572167517 /nfs/dbraw/zinc/16/75/17/572167517.db2.gz UUJWSXITQVVYAS-CLCZQPDDSA-N -1 3 563.563 4.461 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229918376 572169711 /nfs/dbraw/zinc/16/97/11/572169711.db2.gz NVNKPUXJRAPYLI-KWXIBIRDSA-N -1 3 571.567 4.414 50 5 KIBAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000229930380 572170869 /nfs/dbraw/zinc/17/08/69/572170869.db2.gz FQNHOCGMAWGFMS-ISJGIBHGSA-N -1 3 503.511 4.226 50 5 KIBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229943035 572172303 /nfs/dbraw/zinc/17/23/03/572172303.db2.gz SOCZUBKHWHVTLQ-OYUWMTPXSA-N -1 3 571.567 4.414 50 5 KIBAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000229943073 572172633 /nfs/dbraw/zinc/17/26/33/572172633.db2.gz RADCEGHLIMOCJX-PPJWLVRDSA-N -1 3 533.537 4.234 50 5 KIBAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000229967739 572174483 /nfs/dbraw/zinc/17/44/83/572174483.db2.gz XUBDRKSUSLFYIY-PWRODBHTSA-N -1 3 507.524 4.111 50 5 KIBAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000229967802 572174471 /nfs/dbraw/zinc/17/44/71/572174471.db2.gz QAVGYZMLNOINKU-PWRODBHTSA-N -1 3 507.524 4.111 50 5 KIBAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000229967839 572174585 /nfs/dbraw/zinc/17/45/85/572174585.db2.gz NRMQXNDENAVQLR-YTFSRNRJSA-N -1 3 533.562 4.373 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000229988961 572176921 /nfs/dbraw/zinc/17/69/21/572176921.db2.gz IKQUMOKDPCFEJQ-ISJGIBHGSA-N -1 3 519.510 4.149 50 5 KIBAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000238923890 572189116 /nfs/dbraw/zinc/18/91/16/572189116.db2.gz QAVGYZMLNOINKU-NJDAHSKKSA-N -1 3 507.524 4.111 50 5 KIBAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000238950389 572189563 /nfs/dbraw/zinc/18/95/63/572189563.db2.gz XUBDRKSUSLFYIY-NJDAHSKKSA-N -1 3 507.524 4.111 50 5 KIBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000245238180 572211471 /nfs/dbraw/zinc/21/14/71/572211471.db2.gz FIYGEGLBLLMZJD-XPWALMASSA-N -1 3 533.562 4.373 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000245245189 572217260 /nfs/dbraw/zinc/21/72/60/572217260.db2.gz BJUJRUBMXKWMAE-DSNGMDLFSA-N -1 3 519.510 4.062 50 5 KIBAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000245246113 572218676 /nfs/dbraw/zinc/21/86/76/572218676.db2.gz IWQXEEHDZDOYMZ-JQYIIUTOSA-N -1 3 549.536 4.070 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000245246802 572219938 /nfs/dbraw/zinc/21/99/38/572219938.db2.gz OLGQGZQSNYLOIX-TWJOJJKGSA-N -1 3 533.537 4.452 50 5 KIBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245246870 572220388 /nfs/dbraw/zinc/22/03/88/572220388.db2.gz PYWWPPKIHWRSDQ-MVERNJQCSA-N -1 3 549.536 4.070 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245247526 572220883 /nfs/dbraw/zinc/22/08/83/572220883.db2.gz UUJWSXITQVVYAS-FKCDAAJZSA-N -1 3 563.563 4.461 50 5 KIBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000245296660 572226571 /nfs/dbraw/zinc/22/65/71/572226571.db2.gz NRMQXNDENAVQLR-DNVJHFABSA-N -1 3 533.562 4.373 50 5 KIBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000245310357 572228155 /nfs/dbraw/zinc/22/81/55/572228155.db2.gz IKQUMOKDPCFEJQ-UBFVSLLYSA-N -1 3 519.510 4.149 50 5 KIBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245327269 572233517 /nfs/dbraw/zinc/23/35/17/572233517.db2.gz NVNKPUXJRAPYLI-OYUWMTPXSA-N -1 3 571.567 4.414 50 5 KIBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245327272 572233707 /nfs/dbraw/zinc/23/37/07/572233707.db2.gz NVNKPUXJRAPYLI-ZONZVBGPSA-N -1 3 571.567 4.414 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000245327774 572234457 /nfs/dbraw/zinc/23/44/57/572234457.db2.gz QWUODKRCDPQNSH-DSNGMDLFSA-N -1 3 519.510 4.062 50 5 KIBAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245327780 572234501 /nfs/dbraw/zinc/23/45/01/572234501.db2.gz RADCEGHLIMOCJX-JQYIIUTOSA-N -1 3 533.537 4.234 50 5 KIBAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@@H]12 ZINC000245327825 572234400 /nfs/dbraw/zinc/23/44/00/572234400.db2.gz RPTKCNLFCBXWBF-LXEATBNUSA-N -1 3 528.952 4.263 50 5 KIBAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@H]12 ZINC000245327828 572234394 /nfs/dbraw/zinc/23/43/94/572234394.db2.gz RPTKCNLFCBXWBF-QJGCUMMJSA-N -1 3 528.952 4.263 50 5 KIBAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000245329513 572236027 /nfs/dbraw/zinc/23/60/27/572236027.db2.gz ZYJAUJFJYYVXMJ-JQYIIUTOSA-N -1 3 549.536 4.070 50 5 KIBAHM