smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000012490254 526077818 /nfs/dbraw/zinc/07/78/18/526077818.db2.gz DKXOKWSOBHMLPG-UHFFFAOYSA-N 0 0 428.430 3.338 40 5 IGBBRN CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640708 556413012 /nfs/dbraw/zinc/41/30/12/556413012.db2.gz FJHDNHFMBNRDHE-MOPGFXCFSA-N 0 0 445.522 3.072 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000408652433 556613114 /nfs/dbraw/zinc/61/31/14/556613114.db2.gz OMCYWQXKTBCRSX-OALUTQOASA-N 0 0 435.436 3.010 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] ZINC000408673275 556614536 /nfs/dbraw/zinc/61/45/36/556614536.db2.gz ZJMFFCFUELRDJZ-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000408689265 556616882 /nfs/dbraw/zinc/61/68/82/556616882.db2.gz YAFPXFUVTUZBCH-OALUTQOASA-N 0 0 435.436 3.010 40 5 IGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409147643 556631550 /nfs/dbraw/zinc/63/15/50/556631550.db2.gz NCNLDYGWTICUQX-UHFFFAOYSA-N 0 0 428.430 3.338 40 5 IGBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O ZINC000409348637 556637864 /nfs/dbraw/zinc/63/78/64/556637864.db2.gz RNKFDFRLSXWJEL-RQZCQDPDSA-N 0 0 444.421 3.237 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013598724 556701388 /nfs/dbraw/zinc/70/13/88/556701388.db2.gz FSIMUIITLVUBGL-NVJIOZQYSA-N 0 0 449.500 3.033 40 5 IGBBRN COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000409078644 556948832 /nfs/dbraw/zinc/94/88/32/556948832.db2.gz IZWLALWZMFKSEI-UHFFFAOYSA-N 0 0 432.341 3.033 40 5 IGBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409106675 556959161 /nfs/dbraw/zinc/95/91/61/556959161.db2.gz SJGCFOCBYSYSJJ-DEDYPNTBSA-N 0 0 445.435 3.225 40 5 IGBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409346969 557075316 /nfs/dbraw/zinc/07/53/16/557075316.db2.gz OZZVMWSUAOATAP-UHFFFAOYSA-N 0 0 429.458 3.042 40 5 IGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000409367777 557088762 /nfs/dbraw/zinc/08/87/62/557088762.db2.gz GFDVCQPUIJLBRA-LQDNNDEMSA-N 0 0 440.411 3.200 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O ZINC000220388924 557134580 /nfs/dbraw/zinc/13/45/80/557134580.db2.gz YBHNEEZGVUQZNU-ZDUSSCGKSA-N 0 0 425.894 3.028 40 5 IGBBRN C[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402473 557143509 /nfs/dbraw/zinc/14/35/09/557143509.db2.gz DAHBKEMWIPBUDT-NSHDSACASA-N 0 0 442.291 3.151 40 5 IGBBRN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220407148 557143756 /nfs/dbraw/zinc/14/37/56/557143756.db2.gz UGALDXSYLAFQJP-NSHDSACASA-N 0 0 431.392 3.407 40 5 IGBBRN COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000000825459 557266353 /nfs/dbraw/zinc/26/63/53/557266353.db2.gz ZZUYOHRCRMCHFJ-UHFFFAOYSA-N 0 0 446.371 3.401 40 5 IGBBRN CCCCN1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000102798816 557388415 /nfs/dbraw/zinc/38/84/15/557388415.db2.gz IHGXQWDGNSOYBF-GXRSIYKFSA-N 0 0 445.475 3.463 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000408558725 557416467 /nfs/dbraw/zinc/41/64/67/557416467.db2.gz SRCNKJZDJGGMLU-MRXNPFEDSA-N 0 0 447.513 3.341 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573725 557419459 /nfs/dbraw/zinc/41/94/59/557419459.db2.gz NRQVZNOBHSMMCV-UHFFFAOYSA-N 0 0 441.484 3.116 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408573727 557419681 /nfs/dbraw/zinc/41/96/81/557419681.db2.gz NRYFOLSPYNPNKC-UHFFFAOYSA-N 0 0 447.875 3.153 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000408650693 557425577 /nfs/dbraw/zinc/42/55/77/557425577.db2.gz MRHBMEJLTLYAHF-OCCSQVGLSA-N 0 0 446.843 3.424 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408660626 557426107 /nfs/dbraw/zinc/42/61/07/557426107.db2.gz WPXUOCRRRDSUKQ-XPGWFJOJSA-N 0 0 447.447 3.175 40 5 IGBBRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1C ZINC000408669152 557427701 /nfs/dbraw/zinc/42/77/01/557427701.db2.gz MWYNRMRBZGNIEO-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408666204 557427900 /nfs/dbraw/zinc/42/79/00/557427900.db2.gz GTIYHVFGVIZWKS-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN CCCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014412991 557445162 /nfs/dbraw/zinc/44/51/62/557445162.db2.gz LVZXNTZZDJAZQA-UHFFFAOYSA-N 0 0 449.529 3.414 40 5 IGBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000106746848 557532469 /nfs/dbraw/zinc/53/24/69/557532469.db2.gz VLFIJXRFWURSTI-SDQBBNPISA-N 0 0 429.248 3.345 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000224871806 557660621 /nfs/dbraw/zinc/66/06/21/557660621.db2.gz NDTBKHBBHMKCTQ-UHFFFAOYSA-N 0 0 447.391 3.207 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224935451 557668783 /nfs/dbraw/zinc/66/87/83/557668783.db2.gz VQIISILEWZKWQO-UHFFFAOYSA-N 0 0 429.926 3.411 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000260842793 557861390 /nfs/dbraw/zinc/86/13/90/557861390.db2.gz XHJMWDNHLGGVAU-MRXNPFEDSA-N 0 0 445.541 3.425 40 5 IGBBRN Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)n1 ZINC000001588364 562923115 /nfs/dbraw/zinc/92/31/15/562923115.db2.gz GHSPYTWXNOLPEX-UHFFFAOYSA-N 0 0 430.384 3.248 40 5 in-vitro IGBBRN CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538037 568651760 /nfs/dbraw/zinc/65/17/60/568651760.db2.gz RBJFYEUEFJZVSS-KRWDZBQOSA-N 0 0 439.921 3.418 40 5 IGBBRN CCOc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000222612783 568653812 /nfs/dbraw/zinc/65/38/12/568653812.db2.gz IYKSGWHEHOVDJR-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN Cc1c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222983824 568774566 /nfs/dbraw/zinc/77/45/66/568774566.db2.gz SDXMAHCZJOEHCR-INIZCTEOSA-N 0 0 445.541 3.425 40 5 IGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223188923 568784149 /nfs/dbraw/zinc/78/41/49/568784149.db2.gz ACCHXPZESASFQK-QGZVFWFLSA-N 0 0 449.891 3.189 40 5 IGBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223378694 568820245 /nfs/dbraw/zinc/82/02/45/568820245.db2.gz NYEUTFTXJVGSSD-DNVCBOLYSA-N 0 0 449.529 3.334 40 5 IGBBRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] ZINC000016321474 568876946 /nfs/dbraw/zinc/87/69/46/568876946.db2.gz OASFJDBJOCKMNH-UHFFFAOYSA-N 0 0 445.482 3.298 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)c([N+](=O)[O-])c1 ZINC000006245353 568880703 /nfs/dbraw/zinc/88/07/03/568880703.db2.gz XTJOHRZAKMWZMQ-UHFFFAOYSA-N 0 0 442.501 3.383 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224105668 568905505 /nfs/dbraw/zinc/90/55/05/568905505.db2.gz VFFRLVOHDZJSCR-QGZVFWFLSA-N 0 0 443.500 3.172 40 5 IGBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224457038 568927741 /nfs/dbraw/zinc/92/77/41/568927741.db2.gz NCJXGCSYFDVWSJ-KRWDZBQOSA-N 0 0 427.501 3.335 40 5 IGBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000139137832 569138660 /nfs/dbraw/zinc/13/86/60/569138660.db2.gz BQIFAIIKAXAXCT-CDHQVMDDSA-N 0 0 449.463 3.256 40 5 IGBBRN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CCCCC2)ccc1OCC(N)=O ZINC000017097451 569172499 /nfs/dbraw/zinc/17/24/99/569172499.db2.gz AAPRCMZYEIHZRG-UHFFFAOYSA-N 0 0 431.445 3.036 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224669987 569179084 /nfs/dbraw/zinc/17/90/84/569179084.db2.gz ZZDRVNZIRWZONL-HNNXBMFYSA-N 0 0 447.463 3.063 40 5 IGBBRN COCc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000224855122 569190008 /nfs/dbraw/zinc/19/00/08/569190008.db2.gz OFSKDNVBARRESM-UHFFFAOYSA-N 0 0 435.502 3.235 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224933446 569193890 /nfs/dbraw/zinc/19/38/90/569193890.db2.gz BRYYDXOZQQNOJT-UHFFFAOYSA-N 0 0 446.529 3.380 40 5 IGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224964933 569204379 /nfs/dbraw/zinc/20/43/79/569204379.db2.gz ZEKWQUUYUAXCFR-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225077496 569214214 /nfs/dbraw/zinc/21/42/14/569214214.db2.gz BMRJYPPJZAFYLF-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225073576 569214298 /nfs/dbraw/zinc/21/42/98/569214298.db2.gz WSPDYNIJNOBKIN-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C ZINC000009974158 569220449 /nfs/dbraw/zinc/22/04/49/569220449.db2.gz KZUZROHPZNYHOT-MRXNPFEDSA-N 0 0 447.513 3.260 40 5 IGBBRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902414 569292014 /nfs/dbraw/zinc/29/20/14/569292014.db2.gz BQVQGOXFDBBKNA-UHFFFAOYSA-N 0 0 436.262 3.455 40 5 IGBBRN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000065090385 569292873 /nfs/dbraw/zinc/29/28/73/569292873.db2.gz LCPJYLBYTNNCPH-HNNXBMFYSA-N 0 0 441.271 3.385 40 5 IGBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000009056369 569293179 /nfs/dbraw/zinc/29/31/79/569293179.db2.gz ZPPBLSSUVJKECH-CAZKKTPXSA-N 0 0 441.399 3.380 40 5 IGBBRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225443780 569301521 /nfs/dbraw/zinc/30/15/21/569301521.db2.gz YMRRLBSRXOGGJL-ZDUSSCGKSA-N 0 0 434.290 3.063 40 5 IGBBRN CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507537 569307044 /nfs/dbraw/zinc/30/70/44/569307044.db2.gz MOBMKAJSTHUNGE-PMACEKPBSA-N 0 0 431.514 3.333 40 5 IGBBRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366154 569315874 /nfs/dbraw/zinc/31/58/74/569315874.db2.gz XQSYEEIVMRPFQW-FQEVSTJZSA-O 0 0 438.489 3.460 40 5 IGBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)cccc1[N+](=O)[O-] ZINC000328973706 569321507 /nfs/dbraw/zinc/32/15/07/569321507.db2.gz FCXKLCVTHMAJMU-UHFFFAOYSA-N 0 0 449.389 3.250 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868964 569331100 /nfs/dbraw/zinc/33/11/00/569331100.db2.gz ZPKHAQBVQPWPHP-LLVKDONJSA-N 0 0 429.907 3.349 40 5 IGBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000020528471 569371582 /nfs/dbraw/zinc/37/15/82/569371582.db2.gz COYVTHGFKMNLLZ-UHFFFAOYSA-N 0 0 426.179 3.292 40 5 IGBBRN CN(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000022278829 569402683 /nfs/dbraw/zinc/40/26/83/569402683.db2.gz FJBUZFZFJAHTQW-UHFFFAOYSA-N 0 0 439.493 3.449 40 5 IGBBRN Cc1cc(I)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216419343 569429912 /nfs/dbraw/zinc/42/99/12/569429912.db2.gz ICFZSJHGRJVUCP-UHFFFAOYSA-N 0 0 432.239 3.450 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004111591 569459400 /nfs/dbraw/zinc/45/94/00/569459400.db2.gz RRLRTYLZAZPELC-OVCNXMPXSA-N 0 0 449.500 3.318 40 5 IGBBRN Cc1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cccc1[N+](=O)[O-] ZINC000038860274 569469324 /nfs/dbraw/zinc/46/93/24/569469324.db2.gz GJNHBNDOKYAGOH-LJQANCHMSA-N 0 0 447.513 3.366 40 5 IGBBRN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000039964019 569482083 /nfs/dbraw/zinc/48/20/83/569482083.db2.gz KWDUGGMABHDUEO-APWZRJJASA-N 0 0 435.440 3.040 40 5 IGBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000016995333 132357126 /nfs/dbraw/zinc/35/71/26/132357126.db2.gz KFFPHOXYTVQCGS-CCQPRUGESA-N 0 0 448.479 3.021 40 5 IGBBRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020798690 520476220 /nfs/dbraw/zinc/47/62/20/520476220.db2.gz OFPBYVLBXJZFIH-IBGZPJMESA-N 0 0 437.452 3.419 40 5 IGBBRN CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000022400381 521381501 /nfs/dbraw/zinc/38/15/01/521381501.db2.gz VAVYLNDQHSESOZ-UHFFFAOYSA-N 0 0 427.866 3.052 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c([N+](=O)[O-])c1 ZINC000012487759 524515996 /nfs/dbraw/zinc/51/59/96/524515996.db2.gz RURUDRJRALBKLC-UHFFFAOYSA-N 0 0 428.405 3.293 40 5 IGBBRN O=C1c2cc([N+](=O)[O-])cc(I)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000022347789 527121350 /nfs/dbraw/zinc/12/13/50/527121350.db2.gz RJVYYQMJDPRKII-UHFFFAOYSA-N 0 0 441.093 3.227 40 5 IGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020611807 527263013 /nfs/dbraw/zinc/26/30/13/527263013.db2.gz YZTWEURVZLTYJV-UHFFFAOYSA-N 0 0 441.444 3.192 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408680788 556075513 /nfs/dbraw/zinc/07/55/13/556075513.db2.gz GRCFGKIIDSZHDH-WOJBJXKFSA-N 0 0 447.447 3.095 40 5 IGBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 ZINC000032640698 556413008 /nfs/dbraw/zinc/41/30/08/556413008.db2.gz PTZQTMVSGQGCII-RDJZCZTQSA-N 0 0 439.465 3.148 40 5 IGBBRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408652441 556613137 /nfs/dbraw/zinc/61/31/37/556613137.db2.gz ONRYBPJSAXVKLG-GOEBONIOSA-N 0 0 426.425 3.079 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O ZINC000408652939 556613207 /nfs/dbraw/zinc/61/32/07/556613207.db2.gz PGBUYHUXIQAXSK-GOEBONIOSA-N 0 0 426.425 3.079 40 5 IGBBRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000408988606 556627201 /nfs/dbraw/zinc/62/72/01/556627201.db2.gz IMTIDWFPNBHFBJ-QGZVFWFLSA-N 0 0 426.429 3.381 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000409132281 556631058 /nfs/dbraw/zinc/63/10/58/556631058.db2.gz NRBQPZVJQHRJIM-UHFFFAOYSA-N 0 0 448.284 3.315 40 5 IGBBRN COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409310490 556636601 /nfs/dbraw/zinc/63/66/01/556636601.db2.gz VGAJLAIXJOLTBE-YWEYNIOJSA-N 0 0 440.368 3.462 40 5 IGBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n1 ZINC000040398935 556641160 /nfs/dbraw/zinc/64/11/60/556641160.db2.gz WYQDEOXIAMRFIJ-UHFFFAOYSA-N 0 0 430.493 3.228 40 5 IGBBRN CCCCCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O ZINC000040399090 556641454 /nfs/dbraw/zinc/64/14/54/556641454.db2.gz KAKJKPYNNZXMKA-UHFFFAOYSA-N 0 0 449.511 3.489 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716524 556714842 /nfs/dbraw/zinc/71/48/42/556714842.db2.gz HYKCDCUUHVCYJC-GOSISDBHSA-N 0 0 435.502 3.404 40 5 IGBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409365796 557083896 /nfs/dbraw/zinc/08/38/96/557083896.db2.gz OTBFOTLAGNKPEU-LICLKQGHSA-N 0 0 443.437 3.287 40 5 IGBBRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1C ZINC000022028521 557172139 /nfs/dbraw/zinc/17/21/39/557172139.db2.gz RNDRQWJVVHXDBX-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN COc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000219829978 557269150 /nfs/dbraw/zinc/26/91/50/557269150.db2.gz HCLYNOVPEXYQRJ-UHFFFAOYSA-N 0 0 432.820 3.344 40 5 IGBBRN O=C([C@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 ZINC000027666385 557270898 /nfs/dbraw/zinc/27/08/98/557270898.db2.gz JYQQHGTVVDKFCR-JOCHJYFZSA-N 0 0 429.524 3.061 40 5 IGBBRN Cc1ccc2nc3nc(NC4CCCCC4)c(C(=O)NC[C@@H]4CCCO4)cc3c(=O)n2c1 ZINC000013519049 557335411 /nfs/dbraw/zinc/33/54/11/557335411.db2.gz QCVLNBNSLLMYPW-KRWDZBQOSA-N 0 0 435.528 3.205 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220570119 557352872 /nfs/dbraw/zinc/35/28/72/557352872.db2.gz GBRRECCNENKBAQ-GOSISDBHSA-N 0 0 435.502 3.404 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000023710002 557371823 /nfs/dbraw/zinc/37/18/23/557371823.db2.gz JFWDHEQLSKGMTM-UHFFFAOYSA-N 0 0 433.486 3.033 40 5 IGBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cccc1[N+](=O)[O-] ZINC000408562139 557417295 /nfs/dbraw/zinc/41/72/95/557417295.db2.gz NDZOJIKINACINM-UHFFFAOYSA-N 0 0 441.893 3.261 40 5 IGBBRN C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])CC1 ZINC000408634783 557423296 /nfs/dbraw/zinc/42/32/96/557423296.db2.gz UMZLQHOVUCWPNS-CPNJWEJPSA-N 0 0 439.497 3.441 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000408641753 557424468 /nfs/dbraw/zinc/42/44/68/557424468.db2.gz MPRFTAOXIUVMJL-OAHLLOKOSA-N 0 0 441.440 3.160 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408641265 557424496 /nfs/dbraw/zinc/42/44/96/557424496.db2.gz CEWDVMPBYXWIHY-PMACEKPBSA-N 0 0 447.447 3.176 40 5 IGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408659024 557425538 /nfs/dbraw/zinc/42/55/38/557425538.db2.gz VKSIEMSBNDMKLD-JJXUHFIVSA-N 0 0 447.447 3.032 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000408661889 557427169 /nfs/dbraw/zinc/42/71/69/557427169.db2.gz OUFKVAPTMRFQLP-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000103528372 557438374 /nfs/dbraw/zinc/43/83/74/557438374.db2.gz NGRVVTWGWQTRJM-MTQWCTHYSA-N 0 0 446.463 3.089 40 5 IGBBRN COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000005722364 557458692 /nfs/dbraw/zinc/45/86/92/557458692.db2.gz DQILQAFCZDCXKQ-QPPBQGQZSA-N 0 0 448.431 3.418 40 5 IGBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016476685 557474293 /nfs/dbraw/zinc/47/42/93/557474293.db2.gz DUCHAKXIVGBPNN-UHFFFAOYSA-N 0 0 438.431 3.451 40 5 IGBBRN Cc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC4CCCCC4)cc3c(=O)n2c1 ZINC000019234379 557498318 /nfs/dbraw/zinc/49/83/18/557498318.db2.gz GRYLWIJORZIPNU-KRWDZBQOSA-N 0 0 435.528 3.205 40 5 IGBBRN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517949 568650031 /nfs/dbraw/zinc/65/00/31/568650031.db2.gz ZJMKFGAGAWAMAB-KRWDZBQOSA-N 0 0 425.894 3.109 40 5 IGBBRN COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000222593874 568654354 /nfs/dbraw/zinc/65/43/54/568654354.db2.gz UJGAVLXZEJQUMI-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000222686469 568657250 /nfs/dbraw/zinc/65/72/50/568657250.db2.gz NFIQJPBBZJUZRY-UHFFFAOYSA-N 0 0 437.543 3.050 40 5 IGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222853244 568735596 /nfs/dbraw/zinc/73/55/96/568735596.db2.gz JJTXOAVEQSHSBZ-HXUWFJFHSA-N 0 0 427.501 3.478 40 5 IGBBRN Cc1c(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000223519519 568858820 /nfs/dbraw/zinc/85/88/20/568858820.db2.gz UIZUJGCAYGHYII-UHFFFAOYSA-N 0 0 445.419 3.004 40 5 IGBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000016183243 568872275 /nfs/dbraw/zinc/87/22/75/568872275.db2.gz OHQJZGUTAFDIPH-KEYYUXOJSA-N 0 0 443.765 3.352 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223596843 568875703 /nfs/dbraw/zinc/87/57/03/568875703.db2.gz ZPEWUAPMMSAHIW-PMACEKPBSA-N 0 0 440.481 3.223 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223720182 568876719 /nfs/dbraw/zinc/87/67/19/568876719.db2.gz VOAZXTDGVMMTNU-AWEZNQCLSA-N 0 0 449.891 3.189 40 5 IGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(C)c1 ZINC000103001041 568891430 /nfs/dbraw/zinc/89/14/30/568891430.db2.gz SFOLLABUABFOHL-HPNDGRJYSA-N 0 0 444.491 3.456 40 5 IGBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N(C(C)=O)N1C ZINC000016682595 568937542 /nfs/dbraw/zinc/93/75/42/568937542.db2.gz JSZGCMBCQSXHKT-LJQANCHMSA-N 0 0 445.863 3.339 40 5 IGBBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000017098000 569173346 /nfs/dbraw/zinc/17/33/46/569173346.db2.gz BAUZXUTVMAUBNT-SECBINFHSA-N 0 0 432.527 3.315 40 5 IGBBRN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000017098004 569173437 /nfs/dbraw/zinc/17/34/37/569173437.db2.gz YSELILRUAAXFKF-VIFPVBQESA-N 0 0 432.527 3.315 40 5 IGBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017098370 569173669 /nfs/dbraw/zinc/17/36/69/569173669.db2.gz KSVQVEHNABYBBJ-UHFFFAOYSA-N 0 0 433.421 3.369 40 5 IGBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224626240 569175854 /nfs/dbraw/zinc/17/58/54/569175854.db2.gz SSQDELBJXOLCOX-UHFFFAOYSA-N 0 0 449.268 3.279 40 5 IGBBRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224654908 569178539 /nfs/dbraw/zinc/17/85/39/569178539.db2.gz KUKJTUGBYZEHLJ-IBGZPJMESA-N 0 0 433.530 3.277 40 5 IGBBRN CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224690143 569179878 /nfs/dbraw/zinc/17/98/78/569179878.db2.gz DPLCEDAHLHIILK-KRWDZBQOSA-N 0 0 443.591 3.240 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000224831494 569188949 /nfs/dbraw/zinc/18/89/49/569188949.db2.gz XJGWGCGAHYPBMD-MRXNPFEDSA-N 0 0 449.529 3.070 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000224854307 569190040 /nfs/dbraw/zinc/19/00/40/569190040.db2.gz AZTVEOJEFMUSMX-QGZVFWFLSA-N 0 0 433.530 3.369 40 5 IGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000025017197 569241951 /nfs/dbraw/zinc/24/19/51/569241951.db2.gz WLVRABGXACBSFP-INIZCTEOSA-N 0 0 433.420 3.283 40 5 IGBBRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)n1 ZINC000009332867 569295689 /nfs/dbraw/zinc/29/56/89/569295689.db2.gz ARQCTSGZTDGSCV-BUKVSMQUSA-N 0 0 428.489 3.328 40 5 IGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225391439 569297071 /nfs/dbraw/zinc/29/70/71/569297071.db2.gz DNXFQCWYIHYXMS-HXUWFJFHSA-N 0 0 427.501 3.480 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000019162988 569316345 /nfs/dbraw/zinc/31/63/45/569316345.db2.gz QEOLAWZAZMVRIG-UHFFFAOYSA-N 0 0 441.868 3.427 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868501 569331107 /nfs/dbraw/zinc/33/11/07/569331107.db2.gz KBBUPRJNTCBSAA-UHFFFAOYSA-N 0 0 435.477 3.223 40 5 IGBBRN Cn1c(Sc2ccc(C3OC(=O)CC(=O)O3)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000059488745 569461559 /nfs/dbraw/zinc/46/15/59/569461559.db2.gz FDGUCGPQKSEBNR-UHFFFAOYSA-N 0 0 426.410 3.030 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000039986216 569482202 /nfs/dbraw/zinc/48/22/02/569482202.db2.gz CKZPJQISFRGYOQ-UHFFFAOYSA-N 0 0 435.502 3.260 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000022374835 526077102 /nfs/dbraw/zinc/07/71/02/526077102.db2.gz FJPKJCKWCJTREE-QGZVFWFLSA-N 0 0 447.513 3.088 40 5 IGBBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022348225 526174388 /nfs/dbraw/zinc/17/43/88/526174388.db2.gz RWKCWQADDIPJEN-SFHVURJKSA-N 0 0 447.513 3.088 40 5 IGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408683187 556081236 /nfs/dbraw/zinc/08/12/36/556081236.db2.gz KRPRUTYGAATPCA-YWMUFLPLSA-N 0 0 447.447 3.032 40 5 IGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640682 556412992 /nfs/dbraw/zinc/41/29/92/556412992.db2.gz VMSJNLKRPWHFNB-OALUTQOASA-N 0 0 431.539 3.487 40 5 IGBBRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408673121 556614871 /nfs/dbraw/zinc/61/48/71/556614871.db2.gz YVCZIHWGBNPSJS-INIZCTEOSA-N 0 0 425.441 3.000 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000408689453 556616699 /nfs/dbraw/zinc/61/66/99/556616699.db2.gz YETJUYQNCAMDGQ-CALCHBBNSA-N 0 0 435.436 3.010 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408683182 556616713 /nfs/dbraw/zinc/61/67/13/556616713.db2.gz KRPRUTYGAATPCA-FPDPHYFHSA-N 0 0 447.447 3.032 40 5 IGBBRN COCCCn1ccc2nc3ccn(CCc4ccc(OC)c(OC)c4)c(=O)c3cc2c1=O ZINC000038829183 556620802 /nfs/dbraw/zinc/62/08/02/556620802.db2.gz VFDUUMBGKJULMO-UHFFFAOYSA-N 0 0 449.507 3.008 40 5 IGBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409070037 556629501 /nfs/dbraw/zinc/62/95/01/556629501.db2.gz KJODSWLYJPXNIL-JSJZUPIVSA-N 0 0 432.410 3.461 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714643 556714774 /nfs/dbraw/zinc/71/47/74/556714774.db2.gz XJOJPTSEAHZPKE-INIZCTEOSA-N 0 0 441.893 3.440 40 5 IGBBRN Cc1c(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220033088 556810489 /nfs/dbraw/zinc/81/04/89/556810489.db2.gz ICEKEXIWRWKKPJ-UHFFFAOYSA-N 0 0 439.921 3.072 40 5 IGBBRN CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409195544 556993898 /nfs/dbraw/zinc/99/38/98/556993898.db2.gz WHNPIFVUOYLIFK-OQLLNIDSSA-N 0 0 432.230 3.459 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O ZINC000409236282 557018308 /nfs/dbraw/zinc/01/83/08/557018308.db2.gz DDAKPSVVCADTPK-LZYBPNLTSA-N 0 0 431.401 3.418 40 5 IGBBRN COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000220386372 557134254 /nfs/dbraw/zinc/13/42/54/557134254.db2.gz NASXNVHZEWLOOD-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN C[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400469 557143483 /nfs/dbraw/zinc/14/34/83/557143483.db2.gz ONSYDBWCLPYFMD-LLVKDONJSA-N 0 0 442.291 3.151 40 5 IGBBRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220455976 557155746 /nfs/dbraw/zinc/15/57/46/557155746.db2.gz OTIBHCXLSXUAEM-VIFPVBQESA-N 0 0 433.820 3.320 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000024068420 557321691 /nfs/dbraw/zinc/32/16/91/557321691.db2.gz XPRVMQJKFYRDJF-UHFFFAOYSA-N 0 0 447.513 3.341 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102694145 557364216 /nfs/dbraw/zinc/36/42/16/557364216.db2.gz YAOJLVKSVMJFBW-QTDGGUCWSA-N 0 0 449.500 3.033 40 5 IGBBRN CCOC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000408526888 557413235 /nfs/dbraw/zinc/41/32/35/557413235.db2.gz CANFQLBIXQATJZ-UHFFFAOYSA-N 0 0 426.341 3.085 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408590477 557420292 /nfs/dbraw/zinc/42/02/92/557420292.db2.gz GZFRDNFPXWCTJV-OAHLLOKOSA-N 0 0 435.502 3.244 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408596799 557421935 /nfs/dbraw/zinc/42/19/35/557421935.db2.gz SGIPAOUQZFBHLW-OAQYLSRUSA-N 0 0 439.493 3.432 40 5 IGBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408650641 557425496 /nfs/dbraw/zinc/42/54/96/557425496.db2.gz MMQOPFPOPWMMIT-CDHQVMDDSA-N 0 0 449.463 3.256 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl ZINC000408665565 557426668 /nfs/dbraw/zinc/42/66/68/557426668.db2.gz FWBWULFBCYFWRF-CQSZACIVSA-N 0 0 445.859 3.400 40 5 IGBBRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408663692 557427766 /nfs/dbraw/zinc/42/77/66/557427766.db2.gz BEFHNMHDRKBMSZ-INIZCTEOSA-N 0 0 425.441 3.000 40 5 IGBBRN CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC1CCCCC1 ZINC000020051777 557514588 /nfs/dbraw/zinc/51/45/88/557514588.db2.gz LYRMKIWOPWBJCD-UHFFFAOYSA-N 0 0 437.544 3.452 40 5 IGBBRN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106739307 557532138 /nfs/dbraw/zinc/53/21/38/557532138.db2.gz AOIYJMNXIXUVDC-YVLHZVERSA-N 0 0 428.422 3.383 40 5 IGBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)N1CCCCC1 ZINC000106756112 557532216 /nfs/dbraw/zinc/53/22/16/557532216.db2.gz HIFKSIQVKCWWGG-AQTBWJFISA-N 0 0 440.481 3.434 40 5 IGBBRN CCCCOC(=O)c1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000059497860 557826321 /nfs/dbraw/zinc/82/63/21/557826321.db2.gz HYMHOZBJTNNMID-UHFFFAOYSA-N 0 0 448.435 3.054 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000222368502 568638506 /nfs/dbraw/zinc/63/85/06/568638506.db2.gz FDUSDXSSHMMPIB-HNNXBMFYSA-N 0 0 435.502 3.027 40 5 IGBBRN CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518014 568650100 /nfs/dbraw/zinc/65/01/00/568650100.db2.gz ZJMKFGAGAWAMAB-QGZVFWFLSA-N 0 0 425.894 3.109 40 5 IGBBRN CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222525410 568650270 /nfs/dbraw/zinc/65/02/70/568650270.db2.gz CEPYYHRYDKRLBW-OXJNMPFZSA-N 0 0 433.530 3.277 40 5 IGBBRN CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534113 568651505 /nfs/dbraw/zinc/65/15/05/568651505.db2.gz VTWXLSRONJTZIW-LJQANCHMSA-N 0 0 431.514 3.033 40 5 IGBBRN CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538259 568651737 /nfs/dbraw/zinc/65/17/37/568651737.db2.gz XPIJMVAAIQEDNA-GOSISDBHSA-N 0 0 433.486 3.289 40 5 IGBBRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544482 568652285 /nfs/dbraw/zinc/65/22/85/568652285.db2.gz LYMKFQMXYUJFSS-QGZVFWFLSA-N 0 0 435.502 3.404 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544006 568652298 /nfs/dbraw/zinc/65/22/98/568652298.db2.gz KWRNJVXGJCGWQG-QGZVFWFLSA-N 0 0 435.502 3.404 40 5 IGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223527284 568861702 /nfs/dbraw/zinc/86/17/02/568861702.db2.gz PKFVANAIFJBCMW-UHFFFAOYSA-N 0 0 429.498 3.407 40 5 IGBBRN COc1ccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000016226667 568873439 /nfs/dbraw/zinc/87/34/39/568873439.db2.gz CRZYKLLZNVCOTG-UHFFFAOYSA-N 0 0 440.275 3.258 40 5 IGBBRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223769384 568877133 /nfs/dbraw/zinc/87/71/33/568877133.db2.gz PBJWKLDYLQKHSA-KBXCAEBGSA-N 0 0 435.502 3.025 40 5 IGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224261867 568916941 /nfs/dbraw/zinc/91/69/41/568916941.db2.gz UTUQLRWYGROLKG-LJQANCHMSA-N 0 0 443.500 3.234 40 5 IGBBRN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000138538442 568990803 /nfs/dbraw/zinc/99/08/03/568990803.db2.gz TYQUDJMWECZEOO-UHFFFAOYSA-N 0 0 429.429 3.203 40 5 IGBBRN COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000016809165 569162417 /nfs/dbraw/zinc/16/24/17/569162417.db2.gz AIMCPSRTIXSDND-LQDNNDEMSA-N 0 0 426.428 3.480 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224670035 569179083 /nfs/dbraw/zinc/17/90/83/569179083.db2.gz ZZDRVNZIRWZONL-OAHLLOKOSA-N 0 0 447.463 3.063 40 5 IGBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1Br ZINC000224884918 569190384 /nfs/dbraw/zinc/19/03/84/569190384.db2.gz FXLLQFUQHOOCFI-UHFFFAOYSA-N 0 0 431.264 3.200 40 5 IGBBRN CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225035402 569213445 /nfs/dbraw/zinc/21/34/45/569213445.db2.gz WSEJPSYDZKDEOP-UHFFFAOYSA-N 0 0 432.376 3.372 40 5 IGBBRN O=C(C=Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000107980425 569251920 /nfs/dbraw/zinc/25/19/20/569251920.db2.gz BIBHVDVNZADTBV-RMKNXTFCSA-N 0 0 430.917 3.485 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108936792 569253227 /nfs/dbraw/zinc/25/32/27/569253227.db2.gz OZRJROFDDZOEGD-UHFFFAOYSA-N 0 0 429.433 3.049 40 5 IGBBRN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000065090386 569292831 /nfs/dbraw/zinc/29/28/31/569292831.db2.gz LCPJYLBYTNNCPH-OAHLLOKOSA-N 0 0 441.271 3.385 40 5 IGBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225364491 569294109 /nfs/dbraw/zinc/29/41/09/569294109.db2.gz CXKVFUFAPRDYIS-FQEVSTJZSA-N 0 0 427.501 3.480 40 5 IGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113888699 569297078 /nfs/dbraw/zinc/29/70/78/569297078.db2.gz YUMUIKYJXNSURM-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010382191 569299867 /nfs/dbraw/zinc/29/98/67/569299867.db2.gz MSQUJHADURTFOY-UHFFFAOYSA-N 0 0 444.835 3.270 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225512504 569305544 /nfs/dbraw/zinc/30/55/44/569305544.db2.gz HEDJBXYFOCIOQJ-QGZVFWFLSA-N 0 0 443.500 3.233 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868031 569331167 /nfs/dbraw/zinc/33/11/67/569331167.db2.gz YDYJWSLUTKXGEN-UHFFFAOYSA-N 0 0 437.905 3.429 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225536592 569403719 /nfs/dbraw/zinc/40/37/19/569403719.db2.gz VZRDWOLBLCMIGV-GFCCVEGCSA-N 0 0 441.868 3.427 40 5 IGBBRN COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000226818303 569429373 /nfs/dbraw/zinc/42/93/73/569429373.db2.gz ITXKYMCVVZSFPB-UHFFFAOYSA-N 0 0 443.485 3.350 40 5 IGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503318 569461667 /nfs/dbraw/zinc/46/16/67/569461667.db2.gz JZZUZHSAIMFSJS-ISQHLFTMSA-N 0 0 441.399 3.380 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000245226305 569499470 /nfs/dbraw/zinc/49/94/70/569499470.db2.gz PZIQMTLYSMCNCR-XMTFNYHQSA-N 0 0 445.388 3.205 40 5 IGBBRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 ZINC000040400493 569501558 /nfs/dbraw/zinc/50/15/58/569501558.db2.gz XMXQBJORQQWRGZ-OAHLLOKOSA-N 0 0 448.439 3.103 40 5 IGBBRN CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504723 132348315 /nfs/dbraw/zinc/34/83/15/132348315.db2.gz HVSZWKFMVWDHGG-NRFANRHFSA-N 0 0 439.495 3.432 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010327365 556331812 /nfs/dbraw/zinc/33/18/12/556331812.db2.gz TZAKATFNAHBWOD-GFCCVEGCSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000010330425 556332098 /nfs/dbraw/zinc/33/20/98/556332098.db2.gz IQCINODXOPDWLA-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640695 556412963 /nfs/dbraw/zinc/41/29/63/556412963.db2.gz WBJLGGZYSVODGC-IEBWSBKVSA-N 0 0 431.539 3.487 40 5 IGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640681 556413022 /nfs/dbraw/zinc/41/30/22/556413022.db2.gz VMSJNLKRPWHFNB-RBUKOAKNSA-N 0 0 431.539 3.487 40 5 IGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408689876 556616272 /nfs/dbraw/zinc/61/62/72/556616272.db2.gz ZGTYPIJGODLINA-UHFFFAOYSA-N 0 0 446.803 3.253 40 5 IGBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408687798 556617210 /nfs/dbraw/zinc/61/72/10/556617210.db2.gz VDBCSNDTDMLGPK-WOJBJXKFSA-N 0 0 447.447 3.176 40 5 IGBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n1 ZINC000040398934 556641224 /nfs/dbraw/zinc/64/12/24/556641224.db2.gz HAVSWTDVOHVASC-UHFFFAOYSA-N 0 0 430.493 3.228 40 5 IGBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000219822476 556917695 /nfs/dbraw/zinc/91/76/95/556917695.db2.gz GHUAMELXOUQDDV-UHFFFAOYSA-N 0 0 425.397 3.144 40 5 IGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409260250 557040260 /nfs/dbraw/zinc/04/02/60/557040260.db2.gz NICLPVCOCLOGIS-UHFFFAOYSA-N 0 0 437.543 3.497 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385005 557134221 /nfs/dbraw/zinc/13/42/21/557134221.db2.gz PJQMLLGEGMGCLI-GFCCVEGCSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cccc1[N+](=O)[O-] ZINC000021124256 557135807 /nfs/dbraw/zinc/13/58/07/557135807.db2.gz KCCUDDYJXMLCFA-UHFFFAOYSA-N 0 0 436.390 3.366 40 5 IGBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000057317103 557240820 /nfs/dbraw/zinc/24/08/20/557240820.db2.gz OITPMSMTBGFPPK-UHFFFAOYSA-N 0 0 440.500 3.307 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 ZINC000014152695 557310160 /nfs/dbraw/zinc/31/01/60/557310160.db2.gz QGMGAVSROCBFAU-UHFFFAOYSA-N 0 0 434.405 3.435 40 5 IGBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408535543 557415342 /nfs/dbraw/zinc/41/53/42/557415342.db2.gz TXLDXOBPDDPVBW-UHFFFAOYSA-N 0 0 426.389 3.328 40 5 IGBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)n[nH]2)c1 ZINC000408550544 557416148 /nfs/dbraw/zinc/41/61/48/557416148.db2.gz DGURVLRWNNLECL-UHFFFAOYSA-N 0 0 445.457 3.137 40 5 IGBBRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408562463 557418002 /nfs/dbraw/zinc/41/80/02/557418002.db2.gz PSQIBFKPMMWONF-UHFFFAOYSA-N 0 0 447.513 3.404 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408640243 557424280 /nfs/dbraw/zinc/42/42/80/557424280.db2.gz IELSTKFRUFQACO-INIZCTEOSA-N 0 0 425.441 3.460 40 5 IGBBRN O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408649773 557425284 /nfs/dbraw/zinc/42/52/84/557425284.db2.gz AGUQLEKSEDBNIB-BEJUIMMHSA-N 0 0 437.404 3.311 40 5 IGBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408660622 557426013 /nfs/dbraw/zinc/42/60/13/557426013.db2.gz WPXUOCRRRDSUKQ-RYGJVYDSSA-N 0 0 447.447 3.175 40 5 IGBBRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000224617354 557631604 /nfs/dbraw/zinc/63/16/04/557631604.db2.gz GVAUHDARCKDODB-UHFFFAOYSA-N 0 0 441.893 3.078 40 5 IGBBRN Cc1c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000260941259 568631255 /nfs/dbraw/zinc/63/12/55/568631255.db2.gz SDXMAHCZJOEHCR-MRXNPFEDSA-N 0 0 445.541 3.425 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O ZINC000222369426 568638441 /nfs/dbraw/zinc/63/84/41/568638441.db2.gz OTYWLSMNGACRHK-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN CCOc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222372907 568640419 /nfs/dbraw/zinc/64/04/19/568640419.db2.gz TYBZIBRBKSBVKA-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519302 568649969 /nfs/dbraw/zinc/64/99/69/568649969.db2.gz KSVWUFCFCIVFGH-INIZCTEOSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222528930 568650542 /nfs/dbraw/zinc/65/05/42/568650542.db2.gz FASDCXDHPXCZBQ-LIRRHRJNSA-N 0 0 435.502 3.025 40 5 IGBBRN CCOc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222612614 568653761 /nfs/dbraw/zinc/65/37/61/568653761.db2.gz BZVMRQSKRNFADY-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015271394 568752836 /nfs/dbraw/zinc/75/28/36/568752836.db2.gz KHWHUOAAPJEDLB-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383899 568859653 /nfs/dbraw/zinc/85/96/53/568859653.db2.gz GFBPVGUOHBGGBT-UHFFFAOYSA-N 0 0 440.193 3.303 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224608979 568941196 /nfs/dbraw/zinc/94/11/96/568941196.db2.gz NPCJYONBBCJOLV-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 ZINC000017101876 569173561 /nfs/dbraw/zinc/17/35/61/569173561.db2.gz QGDMEAFQTKWJOF-UHFFFAOYSA-N 0 0 438.259 3.255 40 5 IGBBRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017102778 569173887 /nfs/dbraw/zinc/17/38/87/569173887.db2.gz VPGNRLMZXNQQHA-UHFFFAOYSA-N 0 0 438.868 3.351 40 5 IGBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000224735944 569184261 /nfs/dbraw/zinc/18/42/61/569184261.db2.gz QBFNTDMTVRHPHL-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224972085 569204685 /nfs/dbraw/zinc/20/46/85/569204685.db2.gz WGKQOPJQOUUVKC-INIZCTEOSA-N 0 0 446.529 3.378 40 5 IGBBRN CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225010167 569212492 /nfs/dbraw/zinc/21/24/92/569212492.db2.gz WIAANRNIOMUEAA-UHFFFAOYSA-N 0 0 432.376 3.372 40 5 IGBBRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000009974805 569220698 /nfs/dbraw/zinc/22/06/98/569220698.db2.gz QUHUFSNKCSSYBO-INIZCTEOSA-N 0 0 447.513 3.260 40 5 IGBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000010362677 569223867 /nfs/dbraw/zinc/22/38/67/569223867.db2.gz YSFBJJRNELXBGB-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225364458 569294102 /nfs/dbraw/zinc/29/41/02/569294102.db2.gz CXKVFUFAPRDYIS-HXUWFJFHSA-N 0 0 427.501 3.480 40 5 IGBBRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225472176 569303560 /nfs/dbraw/zinc/30/35/60/569303560.db2.gz PRXSBVJTCNGLGV-ZDUSSCGKSA-N 0 0 434.290 3.063 40 5 IGBBRN CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260796085 569311382 /nfs/dbraw/zinc/31/13/82/569311382.db2.gz PBJWKLDYLQKHSA-RDTXWAMCSA-N 0 0 435.502 3.025 40 5 IGBBRN COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260903971 569312493 /nfs/dbraw/zinc/31/24/93/569312493.db2.gz ZDGGWTVXIZRRQA-MRXNPFEDSA-N 0 0 449.529 3.268 40 5 IGBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362550 569315649 /nfs/dbraw/zinc/31/56/49/569315649.db2.gz KTIVZOHEZXEVEC-GOSISDBHSA-O 0 0 444.880 3.334 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c(OC)c1 ZINC000013424048 569316145 /nfs/dbraw/zinc/31/61/45/569316145.db2.gz HXMOQLHBIZCYFH-UHFFFAOYSA-N 0 0 429.458 3.138 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000019867867 569330595 /nfs/dbraw/zinc/33/05/95/569330595.db2.gz CLQADGFGXZJDOC-UHFFFAOYSA-N 0 0 447.513 3.092 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020107424 569333828 /nfs/dbraw/zinc/33/38/28/569333828.db2.gz JBFYQAKLWXIAKM-UHFFFAOYSA-N 0 0 439.877 3.294 40 5 IGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] ZINC000020529131 569371533 /nfs/dbraw/zinc/37/15/33/569371533.db2.gz SDSQSRUOSVXFFB-UHFFFAOYSA-N 0 0 443.153 3.369 40 5 IGBBRN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002683788 569416711 /nfs/dbraw/zinc/41/67/11/569416711.db2.gz LRBFHLHUNHPJNM-FQEVSTJZSA-N 0 0 425.441 3.325 40 5 IGBBRN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000039964018 569482098 /nfs/dbraw/zinc/48/20/98/569482098.db2.gz KWDUGGMABHDUEO-VQIMIIECSA-N 0 0 435.440 3.040 40 5 IGBBRN CCOC(=O)c1cnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc1N ZINC000408544091 569585138 /nfs/dbraw/zinc/58/51/38/569585138.db2.gz RUMPZNWZFXDHEQ-UHFFFAOYSA-N 0 0 446.272 3.181 40 5 IGBBRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000035213118 556006863 /nfs/dbraw/zinc/00/68/63/556006863.db2.gz UGLDNBFHIUBBIW-UHFFFAOYSA-N 0 0 441.893 3.262 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1C ZINC000408654958 556033472 /nfs/dbraw/zinc/03/34/72/556033472.db2.gz HBEOVZPQTRTWDK-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000408683977 556616883 /nfs/dbraw/zinc/61/68/83/556616883.db2.gz MQWKOMAMDGISNX-UHFFFAOYSA-N 0 0 447.378 3.270 40 5 IGBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409016475 556921337 /nfs/dbraw/zinc/92/13/37/556921337.db2.gz JJMGUNCJCXCLQA-DEDYPNTBSA-N 0 0 445.435 3.225 40 5 IGBBRN C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404974 557143738 /nfs/dbraw/zinc/14/37/38/557143738.db2.gz COQKITQDXOZKKQ-LLVKDONJSA-N 0 0 446.312 3.373 40 5 IGBBRN Cn1cc(CCCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c([N+](=O)[O-])ccc23)c2ccccc21 ZINC000604404318 557247204 /nfs/dbraw/zinc/24/72/04/557247204.db2.gz CAVIGONJSJWJMR-FUHWJXTLSA-N 0 0 434.496 3.217 40 5 IGBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101161547 557257116 /nfs/dbraw/zinc/25/71/16/557257116.db2.gz GZEQEFZTLJYHLO-FKBYEOEOSA-N 0 0 445.431 3.347 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000014413569 557337225 /nfs/dbraw/zinc/33/72/25/557337225.db2.gz GQAHIALPUMBKJI-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN O=C1[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102871086 557395529 /nfs/dbraw/zinc/39/55/29/557395529.db2.gz BQUOUFFAFFJOTE-FKBYEOEOSA-N 0 0 428.448 3.215 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222988149 557412548 /nfs/dbraw/zinc/41/25/48/557412548.db2.gz JBLRCQBIRCCMKJ-AWEZNQCLSA-N 0 0 448.317 3.453 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000408557918 557416488 /nfs/dbraw/zinc/41/64/88/557416488.db2.gz OUFZCUUKONXLND-MRXNPFEDSA-N 0 0 447.513 3.341 40 5 IGBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000408563909 557419182 /nfs/dbraw/zinc/41/91/82/557419182.db2.gz SCZCIGCCMPOEQW-SFHVURJKSA-N 0 0 434.246 3.190 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408575317 557419471 /nfs/dbraw/zinc/41/94/71/557419471.db2.gz UGGUWKWDDXWQCX-UHFFFAOYSA-N 0 0 431.876 3.316 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000408581630 557420601 /nfs/dbraw/zinc/42/06/01/557420601.db2.gz YAOHVZUFUSCBSJ-UHFFFAOYSA-N 0 0 448.284 3.315 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408663997 557427692 /nfs/dbraw/zinc/42/76/92/557427692.db2.gz YMSHDTDFYHISFZ-BGYRXZFFSA-N 0 0 447.447 3.095 40 5 IGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000103933920 557442852 /nfs/dbraw/zinc/44/28/52/557442852.db2.gz XJPLLHRKSVYLLG-UHFFFAOYSA-N 0 0 431.361 3.272 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000030952151 557788871 /nfs/dbraw/zinc/78/88/71/557788871.db2.gz GNNLJFLPAXZFGV-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542737 568652228 /nfs/dbraw/zinc/65/22/28/568652228.db2.gz AOAOEFAPJYTSRD-KBXCAEBGSA-N 0 0 437.493 3.464 40 5 IGBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366161 568733807 /nfs/dbraw/zinc/73/38/07/568733807.db2.gz XRRLHKGBWQDHAA-HXUWFJFHSA-O 0 0 438.489 3.460 40 5 IGBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005943883 568739060 /nfs/dbraw/zinc/73/90/60/568739060.db2.gz CTCZKWJWNLBWSG-UHFFFAOYSA-N 0 0 427.486 3.280 40 5 IGBBRN Cc1c(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000016250170 568874928 /nfs/dbraw/zinc/87/49/28/568874928.db2.gz SAZYENRDVSAORT-UHFFFAOYSA-N 0 0 432.285 3.469 40 5 IGBBRN CC(=O)CC[C@@](Br)(CC[C@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] ZINC000001595448 568876037 /nfs/dbraw/zinc/87/60/37/568876037.db2.gz SLQWDVMCAZEWKN-RYUDHWBXSA-N 0 0 446.092 3.241 40 5 IGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1F ZINC000103001056 568891344 /nfs/dbraw/zinc/89/13/44/568891344.db2.gz HEHKNXNSOXOUKW-SZXQPVLSSA-N 0 0 448.454 3.287 40 5 IGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc2ccccc21 ZINC000138697295 569105828 /nfs/dbraw/zinc/10/58/28/569105828.db2.gz DFSQMEORPTXOGS-MRXNPFEDSA-N 0 0 433.420 3.283 40 5 IGBBRN O=C1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N2N=CNC2=N1 ZINC000038202799 569111240 /nfs/dbraw/zinc/11/12/40/569111240.db2.gz FDVXHPJLOKPFPZ-OAHLLOKOSA-N 0 0 444.245 3.112 40 5 IGBBRN COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017096890 569172372 /nfs/dbraw/zinc/17/23/72/569172372.db2.gz GEMXJFYEZVCYTM-UHFFFAOYSA-N 0 0 430.486 3.339 40 5 IGBBRN COc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000033507455 569244281 /nfs/dbraw/zinc/24/42/81/569244281.db2.gz URVXTVXJSAPOQB-UHFFFAOYSA-N 0 0 449.463 3.472 40 5 IGBBRN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000008793359 569290623 /nfs/dbraw/zinc/29/06/23/569290623.db2.gz GGWASFXXNBTPLP-UHFFFAOYSA-N 0 0 427.486 3.437 40 5 IGBBRN COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(C)=O)c(C)cc1[N+](=O)[O-] ZINC000009287526 569295123 /nfs/dbraw/zinc/29/51/23/569295123.db2.gz DPMUTYNODWNDAB-GXRSIYKFSA-N 0 0 447.447 3.016 40 5 IGBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)nn12 ZINC000019629564 569324168 /nfs/dbraw/zinc/32/41/68/569324168.db2.gz DXQAKHZXIXNCAX-UHFFFAOYSA-N 0 0 439.482 3.196 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860916 569330583 /nfs/dbraw/zinc/33/05/83/569330583.db2.gz JLAFURIJKKIESI-OAHLLOKOSA-N 0 0 437.905 3.429 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868966 569331132 /nfs/dbraw/zinc/33/11/32/569331132.db2.gz ZPKHAQBVQPWPHP-NSHDSACASA-N 0 0 429.907 3.349 40 5 IGBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000019868601 569331171 /nfs/dbraw/zinc/33/11/71/569331171.db2.gz GCKBBXASBLSHQD-UHFFFAOYSA-N 0 0 435.477 3.223 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225854024 569409413 /nfs/dbraw/zinc/40/94/13/569409413.db2.gz JJBWKGSRZXTHPX-YJBOKZPZSA-N 0 0 449.529 3.334 40 5 IGBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccncc3)CC2)cc1 ZINC000013561815 132349790 /nfs/dbraw/zinc/34/97/90/132349790.db2.gz QSOKONMDWMOWCF-OAQYLSRUSA-N 0 0 434.504 3.003 40 5 IGBBRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022248816 520785800 /nfs/dbraw/zinc/78/58/00/520785800.db2.gz MANYKENLGQLIOD-UHFFFAOYSA-N 0 0 441.893 3.296 40 5 IGBBRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000035425426 524041591 /nfs/dbraw/zinc/04/15/91/524041591.db2.gz MMJPHRQASWYHHR-SFHVURJKSA-N 0 0 425.445 3.402 40 5 biogenic,in-vitro IGBBRN O=C(COc1ccc(Br)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000012498783 526946813 /nfs/dbraw/zinc/94/68/13/526946813.db2.gz GNNRSVNIPPFCFC-UHFFFAOYSA-N 0 0 428.239 3.388 40 5 IGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000020492481 527387674 /nfs/dbraw/zinc/38/76/74/527387674.db2.gz SVKQOWQSKHPUKP-UHFFFAOYSA-N 0 0 447.494 3.338 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(NC(C)=O)cc2)n1 ZINC000408674884 556066059 /nfs/dbraw/zinc/06/60/59/556066059.db2.gz LLLJJPKNJDCNLX-UHFFFAOYSA-N 0 0 442.457 3.078 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 ZINC000408652434 556613144 /nfs/dbraw/zinc/61/31/44/556613144.db2.gz OMCYWQXKTBCRSX-RTBURBONSA-N 0 0 435.436 3.010 40 5 IGBBRN CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408655065 556613494 /nfs/dbraw/zinc/61/34/94/556613494.db2.gz COSCCDGIZVSEMZ-UHFFFAOYSA-N 0 0 427.413 3.088 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408673300 556614861 /nfs/dbraw/zinc/61/48/61/556614861.db2.gz ZRLODGNIQUNKML-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409194822 556634054 /nfs/dbraw/zinc/63/40/54/556634054.db2.gz NCUKIUHTNXOFBD-RQZCQDPDSA-N 0 0 441.421 3.041 40 5 IGBBRN COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409213700 556634909 /nfs/dbraw/zinc/63/49/09/556634909.db2.gz UZQYHHYPXKRFGS-BOPFTXTBSA-N 0 0 445.453 3.044 40 5 IGBBRN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409001300 556914312 /nfs/dbraw/zinc/91/43/12/556914312.db2.gz HPBSWEOGLVOKLP-FOIQADDNSA-N 0 0 448.497 3.022 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406250 557143748 /nfs/dbraw/zinc/14/37/48/557143748.db2.gz JWDFVBMCWQUZNH-NSHDSACASA-N 0 0 427.866 3.050 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406189 557143767 /nfs/dbraw/zinc/14/37/67/557143767.db2.gz JWDFVBMCWQUZNH-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)c1 ZINC000013083836 557276989 /nfs/dbraw/zinc/27/69/89/557276989.db2.gz AWJSXFWLGCPDPC-OAHLLOKOSA-N 0 0 444.469 3.222 40 5 IGBBRN CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220673190 557363843 /nfs/dbraw/zinc/36/38/43/557363843.db2.gz VPWCZRUERNXYKA-SFHVURJKSA-N 0 0 435.502 3.485 40 5 IGBBRN CCCCN1C(=O)[C@@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000102798821 557388484 /nfs/dbraw/zinc/38/84/84/557388484.db2.gz IHGXQWDGNSOYBF-YUMYIRISSA-N 0 0 445.475 3.463 40 5 IGBBRN Cn1c2cc(NC(=O)CSc3nc4ccccc4s3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408543431 557415884 /nfs/dbraw/zinc/41/58/84/557415884.db2.gz PAKDOPHKUCHHSR-UHFFFAOYSA-N 0 0 429.483 3.126 40 5 IGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F ZINC000408563231 557417540 /nfs/dbraw/zinc/41/75/40/557417540.db2.gz JVZFFTUBWFUJCQ-QGZVFWFLSA-N 0 0 427.310 3.000 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408589755 557420584 /nfs/dbraw/zinc/42/05/84/557420584.db2.gz FIIOVXZVQPUTFE-HXUWFJFHSA-N 0 0 425.466 3.123 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cccc(NC(C)=O)c2)n1 ZINC000408636625 557423363 /nfs/dbraw/zinc/42/33/63/557423363.db2.gz BIFNFECQRITPNV-UHFFFAOYSA-N 0 0 442.457 3.078 40 5 IGBBRN CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408637902 557423557 /nfs/dbraw/zinc/42/35/57/557423557.db2.gz ASDLZWOBANAXGZ-OAHLLOKOSA-N 0 0 441.440 3.162 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2ccc(NC(C)=O)cc2)n1 ZINC000408637425 557423684 /nfs/dbraw/zinc/42/36/84/557423684.db2.gz KGUVYXBTOXPGPM-UHFFFAOYSA-N 0 0 442.457 3.078 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408641267 557424499 /nfs/dbraw/zinc/42/44/99/557424499.db2.gz CEWDVMPBYXWIHY-VQTJNVASSA-N 0 0 447.447 3.176 40 5 IGBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408643669 557424802 /nfs/dbraw/zinc/42/48/02/557424802.db2.gz GLEOPXBCCIWOFG-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000408644883 557424981 /nfs/dbraw/zinc/42/49/81/557424981.db2.gz TYRWZNQWIIJDEQ-LLVKDONJSA-N 0 0 434.246 3.358 40 5 IGBBRN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408660802 557426081 /nfs/dbraw/zinc/42/60/81/557426081.db2.gz WXDGKOOFBHINNP-LIKPIUCQSA-N 0 0 439.427 3.132 40 5 IGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408663621 557427404 /nfs/dbraw/zinc/42/74/04/557427404.db2.gz AQNVBGOLNUORSY-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408667726 557427920 /nfs/dbraw/zinc/42/79/20/557427920.db2.gz KCOWSEVJJAJWCT-QGZVFWFLSA-N 0 0 439.468 3.254 40 5 IGBBRN CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260810678 557857098 /nfs/dbraw/zinc/85/70/98/557857098.db2.gz JJBWKGSRZXTHPX-CRAIPNDOSA-N 0 0 449.529 3.334 40 5 IGBBRN CC[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517810 568650037 /nfs/dbraw/zinc/65/00/37/568650037.db2.gz LEQIEFYFZJGZCE-SFHVURJKSA-N 0 0 437.543 3.048 40 5 IGBBRN CCOc1ccccc1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533101 568651489 /nfs/dbraw/zinc/65/14/89/568651489.db2.gz TVESEMKTYUPBAO-KRWDZBQOSA-N 0 0 435.502 3.485 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222545252 568652325 /nfs/dbraw/zinc/65/23/25/568652325.db2.gz CXCAMSUJNGXORU-OAHLLOKOSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547899 568652688 /nfs/dbraw/zinc/65/26/88/568652688.db2.gz TWUXFKSDQZNOHL-QGZVFWFLSA-N 0 0 441.550 3.377 40 5 IGBBRN CCOc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000222620814 568655308 /nfs/dbraw/zinc/65/53/08/568655308.db2.gz NOJPCBHOWVLBRK-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223028167 568775557 /nfs/dbraw/zinc/77/55/57/568775557.db2.gz VTAJBBYMANTYGF-MRXNPFEDSA-N 0 0 427.501 3.478 40 5 IGBBRN CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000223547340 568866365 /nfs/dbraw/zinc/86/63/65/568866365.db2.gz KYJYVMYIXWOUTJ-OAHLLOKOSA-N 0 0 433.530 3.191 40 5 IGBBRN COc1c(O)ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000016293013 568875540 /nfs/dbraw/zinc/87/55/40/568875540.db2.gz PDLMQUGXWUKTAC-MRXNPFEDSA-N 0 0 428.470 3.049 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967457 568880129 /nfs/dbraw/zinc/88/01/29/568880129.db2.gz VKNBHLGCJNOHOB-MRXNPFEDSA-N 0 0 445.541 3.390 40 5 IGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1 ZINC000103001037 568891367 /nfs/dbraw/zinc/89/13/67/568891367.db2.gz HHIZQAUXJPMZKN-YYADALCUSA-N 0 0 430.464 3.148 40 5 IGBBRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224073207 568904612 /nfs/dbraw/zinc/90/46/12/568904612.db2.gz PWXYMUAKDPCFKJ-UHFFFAOYSA-N 0 0 429.907 3.229 40 5 IGBBRN CS(=O)(=O)c1ccc(SCC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000016768131 569161388 /nfs/dbraw/zinc/16/13/88/569161388.db2.gz ULXXPNDGKYEFST-UHFFFAOYSA-N 0 0 446.300 3.459 40 5 IGBBRN COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000016809169 569162436 /nfs/dbraw/zinc/16/24/36/569162436.db2.gz AIMCPSRTIXSDND-YCIYHOANSA-N 0 0 426.428 3.480 40 5 IGBBRN COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224768962 569185937 /nfs/dbraw/zinc/18/59/37/569185937.db2.gz YDUXFRQRMVFUOH-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224771618 569186337 /nfs/dbraw/zinc/18/63/37/569186337.db2.gz IUQWMCPYXUADHC-KRWDZBQOSA-N 0 0 443.500 3.234 40 5 IGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000035387280 569248665 /nfs/dbraw/zinc/24/86/65/569248665.db2.gz WWYHLQXZBCVGAG-UHFFFAOYSA-N 0 0 439.472 3.456 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225493127 569304493 /nfs/dbraw/zinc/30/44/93/569304493.db2.gz ARPIVQZVBVXWDW-KRWDZBQOSA-N 0 0 443.500 3.233 40 5 IGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000019629579 569324166 /nfs/dbraw/zinc/32/41/66/569324166.db2.gz WGGPMPPILNVDHT-UHFFFAOYSA-N 0 0 439.482 3.196 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019867660 569330626 /nfs/dbraw/zinc/33/06/26/569330626.db2.gz PHUNCRCFZJRBRG-UHFFFAOYSA-N 0 0 447.513 3.092 40 5 IGBBRN O=[N+]([O-])c1ccc(OCc2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1 ZINC000019904951 569331775 /nfs/dbraw/zinc/33/17/75/569331775.db2.gz LPHANDAHCUVPCZ-UHFFFAOYSA-N 0 0 441.513 3.179 40 5 IGBBRN CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057671844 569440778 /nfs/dbraw/zinc/44/07/78/569440778.db2.gz DORZDLUXWBDSTF-QFIPXVFZSA-N 0 0 435.532 3.487 40 5 IGBBRN C[C@@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000008424581 569464098 /nfs/dbraw/zinc/46/40/98/569464098.db2.gz QLBMSDRPDWYIAK-LDBYXDLTSA-N 0 0 435.480 3.497 40 5 IGBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cccnc3)CC2)cc1 ZINC000013561813 132349777 /nfs/dbraw/zinc/34/97/77/132349777.db2.gz KNGZPMATBAYWQT-OAQYLSRUSA-N 0 0 434.504 3.003 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000022374840 526077072 /nfs/dbraw/zinc/07/70/72/526077072.db2.gz FJPKJCKWCJTREE-KRWDZBQOSA-N 0 0 447.513 3.088 40 5 IGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000022429729 526704781 /nfs/dbraw/zinc/70/47/81/526704781.db2.gz MJWULXSIZMJWGM-UHFFFAOYSA-N 0 0 443.456 3.246 40 5 IGBBRN O=c1/c(=C/c2cc([N+](=O)[O-])ccc2Cl)sc2nc3cc(Br)cnc3n12 ZINC000016385662 527432284 /nfs/dbraw/zinc/43/22/84/527432284.db2.gz NLEZPCFPTVRPTC-QCDXTXTGSA-N 0 0 437.662 3.176 40 5 IGBBRN CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505219 535170021 /nfs/dbraw/zinc/17/00/21/535170021.db2.gz NIJWSHMXEUCUKB-LJQANCHMSA-N 0 0 427.534 3.210 40 5 IGBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 ZINC000032640697 556412972 /nfs/dbraw/zinc/41/29/72/556412972.db2.gz PTZQTMVSGQGCII-DOTOQJQBSA-N 0 0 439.465 3.148 40 5 IGBBRN Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640694 556413029 /nfs/dbraw/zinc/41/30/29/556413029.db2.gz WBJLGGZYSVODGC-HKUYNNGSSA-N 0 0 431.539 3.487 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408677315 556614244 /nfs/dbraw/zinc/61/42/44/556614244.db2.gz BPWKWZAWGJMGKB-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN COc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000408671134 556614513 /nfs/dbraw/zinc/61/45/13/556614513.db2.gz JUHNDYCTZWZTAS-UHFFFAOYSA-N 0 0 430.413 3.147 40 5 IGBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCC1 ZINC000408697475 556615711 /nfs/dbraw/zinc/61/57/11/556615711.db2.gz JQTZXTZMMBPROG-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408686621 556616054 /nfs/dbraw/zinc/61/60/54/556616054.db2.gz SFAVXCDROFFYSZ-HHXXYDBFSA-N 0 0 449.463 3.256 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 ZINC000408689455 556616057 /nfs/dbraw/zinc/61/60/57/556616057.db2.gz YETJUYQNCAMDGQ-IAGOWNOFSA-N 0 0 435.436 3.010 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c([N+](=O)[O-])c1 ZINC000409149133 556631680 /nfs/dbraw/zinc/63/16/80/556631680.db2.gz XWVBAGOUOJMCKV-UHFFFAOYSA-N 0 0 444.429 3.038 40 5 IGBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409348818 556637470 /nfs/dbraw/zinc/63/74/70/556637470.db2.gz QIUJKRMLKFFFGF-MFOYZWKCSA-N 0 0 443.437 3.287 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409360114 556637830 /nfs/dbraw/zinc/63/78/30/556637830.db2.gz PBBFKCVRXVXWFO-RQZCQDPDSA-N 0 0 443.393 3.431 40 5 IGBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CCCCC4)c(=O)c3cc2c1=O ZINC000040399093 556641418 /nfs/dbraw/zinc/64/14/18/556641418.db2.gz GWJWCTLRRLGDLV-UHFFFAOYSA-N 0 0 447.495 3.414 40 5 IGBBRN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000001360256 556787332 /nfs/dbraw/zinc/78/73/32/556787332.db2.gz FWSDNTPJECFDDI-OAHLLOKOSA-N 0 0 444.469 3.222 40 5 IGBBRN Cc1c(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220045772 556833539 /nfs/dbraw/zinc/83/35/39/556833539.db2.gz RXODUIICDVSGSC-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409217658 557012408 /nfs/dbraw/zinc/01/24/08/557012408.db2.gz RFLPFESTEINYEX-BOPFTXTBSA-N 0 0 445.453 3.044 40 5 IGBBRN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402140 557143497 /nfs/dbraw/zinc/14/34/97/557143497.db2.gz IACHTOGLTDRVRR-NSHDSACASA-N 0 0 431.392 3.407 40 5 IGBBRN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220407838 557143775 /nfs/dbraw/zinc/14/37/75/557143775.db2.gz ILZVSRKQENDDGA-KRWDZBQOSA-N 0 0 445.541 3.231 40 5 IGBBRN C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220407915 557143782 /nfs/dbraw/zinc/14/37/82/557143782.db2.gz ILZVSRKQENDDGA-QGZVFWFLSA-N 0 0 445.541 3.231 40 5 IGBBRN C[C@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000000820398 557266076 /nfs/dbraw/zinc/26/60/76/557266076.db2.gz QLBMSDRPDWYIAK-LUQKVYGDSA-N 0 0 435.480 3.497 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220542216 557351545 /nfs/dbraw/zinc/35/15/45/557351545.db2.gz XPTUQKJXZVNLAD-KRWDZBQOSA-N 0 0 435.502 3.404 40 5 IGBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 ZINC000408529612 557412921 /nfs/dbraw/zinc/41/29/21/557412921.db2.gz IQMWMVVFTWADJK-NVMNQCDNSA-N 0 0 438.465 3.330 40 5 IGBBRN O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000408552332 557416442 /nfs/dbraw/zinc/41/64/42/557416442.db2.gz RQYLAQJKCLHYOT-DHDCSXOGSA-N 0 0 449.204 3.292 40 5 IGBBRN COc1cc(NC(=O)CSc2nnc(COc3ccccc3F)o2)ccc1[N+](=O)[O-] ZINC000408551333 557416673 /nfs/dbraw/zinc/41/66/73/557416673.db2.gz HIRBQQRZEJAKGT-UHFFFAOYSA-N 0 0 434.405 3.435 40 5 IGBBRN CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000408644580 557424772 /nfs/dbraw/zinc/42/47/72/557424772.db2.gz GVUHVZCFPYCEAZ-UHFFFAOYSA-N 0 0 429.429 3.066 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408660629 557426009 /nfs/dbraw/zinc/42/60/09/557426009.db2.gz WPXUOCRRRDSUKQ-YSGRDPCXSA-N 0 0 447.447 3.175 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl ZINC000408665563 557426670 /nfs/dbraw/zinc/42/66/70/557426670.db2.gz FWBWULFBCYFWRF-AWEZNQCLSA-N 0 0 445.859 3.400 40 5 IGBBRN CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014410888 557444412 /nfs/dbraw/zinc/44/44/12/557444412.db2.gz AWYTVTDHCVMSJW-INIZCTEOSA-N 0 0 449.529 3.412 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000222373527 568640400 /nfs/dbraw/zinc/64/04/00/568640400.db2.gz OUJHACGHFZOOIL-UHFFFAOYSA-N 0 0 439.921 3.419 40 5 IGBBRN CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519367 568650069 /nfs/dbraw/zinc/65/00/69/568650069.db2.gz KSVWUFCFCIVFGH-MRXNPFEDSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547325 568652291 /nfs/dbraw/zinc/65/22/91/568652291.db2.gz OEEIFVLRLHRRQK-HNNXBMFYSA-N 0 0 443.428 3.065 40 5 IGBBRN CCc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000222546040 568652423 /nfs/dbraw/zinc/65/24/23/568652423.db2.gz BJCGCXWJFWCEDU-KRWDZBQOSA-N 0 0 435.502 3.349 40 5 IGBBRN Cc1c(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222805267 568661240 /nfs/dbraw/zinc/66/12/40/568661240.db2.gz QHXJIORDWLTAFM-UHFFFAOYSA-N 0 0 427.482 3.139 40 5 IGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223418971 568826410 /nfs/dbraw/zinc/82/64/10/568826410.db2.gz NRJATGMFGPOKMV-HXUWFJFHSA-N 0 0 445.541 3.390 40 5 IGBBRN CC(=O)CC[C@](Br)(CC[C@@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] ZINC000001595447 568875976 /nfs/dbraw/zinc/87/59/76/568875976.db2.gz SLQWDVMCAZEWKN-VXGBXAGGSA-N 0 0 446.092 3.241 40 5 IGBBRN CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223801614 568877434 /nfs/dbraw/zinc/87/74/34/568877434.db2.gz WNURYBWXWTWJNK-MRXNPFEDSA-N 0 0 449.529 3.068 40 5 IGBBRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224052095 568889528 /nfs/dbraw/zinc/88/95/28/568889528.db2.gz BNHWFURGEPBZAE-QGZVFWFLSA-N 0 0 429.542 3.424 40 5 IGBBRN 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ZINC000224773301 569186321 /nfs/dbraw/zinc/18/63/21/569186321.db2.gz XNSVFXHZUULKLY-UHFFFAOYSA-N 0 0 432.239 3.333 40 5 IGBBRN CCCC[C@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224831210 569188963 /nfs/dbraw/zinc/18/89/63/569188963.db2.gz RKEOOCYYTPRTOA-INIZCTEOSA-N 0 0 443.566 3.482 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC1CCCC1)S(C)(=O)=O ZINC000224974102 569204794 /nfs/dbraw/zinc/20/47/94/569204794.db2.gz AJGDFWPSNWOJEL-UHFFFAOYSA-N 0 0 443.591 3.241 40 5 IGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225005581 569212380 /nfs/dbraw/zinc/21/23/80/569212380.db2.gz BUUVPAKNBOZMQR-SJORKVTESA-N 0 0 443.500 3.314 40 5 IGBBRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024046 569213593 /nfs/dbraw/zinc/21/35/93/569213593.db2.gz OKRAWWUNEYTLLI-UHFFFAOYSA-N 0 0 432.376 3.372 40 5 IGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000025017201 569241983 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430.424 3.451 40 5 IGBBRN CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290764 521197229 /nfs/dbraw/zinc/19/72/29/521197229.db2.gz AJZXEWYHASXHME-LJQANCHMSA-N 0 0 427.534 3.355 40 5 IGBBRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC ZINC000022257472 523284442 /nfs/dbraw/zinc/28/44/42/523284442.db2.gz XGRAUPQNFPSLCA-UHFFFAOYSA-N 0 0 442.428 3.008 40 5 IGBBRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Br ZINC000020611722 523753195 /nfs/dbraw/zinc/75/31/95/523753195.db2.gz DLWSZUUOKSAEGV-UHFFFAOYSA-N 0 0 436.262 3.455 40 5 IGBBRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)[O-])cc1OC ZINC000034201733 524141694 /nfs/dbraw/zinc/14/16/94/524141694.db2.gz VZAJSNWFIOPTKS-OEPVSBQMSA-O 0 0 430.521 3.482 40 5 IGBBRN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000036056655 526678254 /nfs/dbraw/zinc/67/82/54/526678254.db2.gz OHQJZGUTAFDIPH-ZQIUZPCESA-N 0 0 443.765 3.352 40 5 IGBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611657 526996279 /nfs/dbraw/zinc/99/62/79/526996279.db2.gz VHTMRCCKCSRBAW-UHFFFAOYSA-N 0 0 436.262 3.211 40 5 IGBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408686620 556616901 /nfs/dbraw/zinc/61/69/01/556616901.db2.gz SFAVXCDROFFYSZ-AYBZRNKSSA-N 0 0 449.463 3.256 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O ZINC000260892650 556692608 /nfs/dbraw/zinc/69/26/08/556692608.db2.gz BSVHABRZUDXANF-MRXNPFEDSA-N 0 0 446.529 3.297 40 5 IGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000205678488 556832650 /nfs/dbraw/zinc/83/26/50/556832650.db2.gz NKISPQJAVKJKFX-OQLLNIDSSA-N 0 0 429.410 3.382 40 5 IGBBRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000409265366 557039136 /nfs/dbraw/zinc/03/91/36/557039136.db2.gz UMCZSEDUWSGOBS-UHFFFAOYSA-N 0 0 441.893 3.200 40 5 IGBBRN Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220393485 557135634 /nfs/dbraw/zinc/13/56/34/557135634.db2.gz QFNJWMTXPZIISI-QGZVFWFLSA-N 0 0 433.530 3.115 40 5 IGBBRN COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000220407572 557143816 /nfs/dbraw/zinc/14/38/16/557143816.db2.gz WBBOSWOTMIZQEB-NSHDSACASA-N 0 0 427.866 3.050 40 5 IGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000100829578 557182409 /nfs/dbraw/zinc/18/24/09/557182409.db2.gz GOHDMJMWXUVVEM-KURKYZTESA-N 0 0 447.278 3.437 40 5 IGBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)N1CCCC1 ZINC000205908169 557228002 /nfs/dbraw/zinc/22/80/02/557228002.db2.gz DKOGSPLFZHTQJL-LDADJPATSA-N 0 0 440.481 3.103 40 5 IGBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000101166818 557257364 /nfs/dbraw/zinc/25/73/64/557257364.db2.gz IKDDKLDLWXZRND-ACRUOGEOSA-N 0 0 430.420 3.349 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101861050 557303759 /nfs/dbraw/zinc/30/37/59/557303759.db2.gz KJUOOIWMFCZXRI-DWKCODDLSA-N 0 0 449.500 3.318 40 5 IGBBRN CCOc1ccc(N([C@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220672919 557363796 /nfs/dbraw/zinc/36/37/96/557363796.db2.gz NMCTUISKBVBHTI-LJQANCHMSA-N 0 0 435.502 3.485 40 5 IGBBRN CCn1c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408532324 557415286 /nfs/dbraw/zinc/41/52/86/557415286.db2.gz MIVRHIFJHHIGNP-JXMROGBWSA-N 0 0 425.401 3.311 40 5 IGBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)o2)c1 ZINC000408553192 557416551 /nfs/dbraw/zinc/41/65/51/557416551.db2.gz OVKWIMMPKNTVAO-UHFFFAOYSA-N 0 0 446.441 3.401 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000408638035 557423639 /nfs/dbraw/zinc/42/36/39/557423639.db2.gz BOAYXABZWZICDI-LLVKDONJSA-N 0 0 434.246 3.358 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408665730 557426310 /nfs/dbraw/zinc/42/63/10/557426310.db2.gz WQPWJNRRSCNAIG-UHFFFAOYSA-N 0 0 435.820 3.157 40 5 IGBBRN CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408661702 557427421 /nfs/dbraw/zinc/42/74/21/557427421.db2.gz BXMDBVSZQCIZOZ-UHFFFAOYSA-N 0 0 429.429 3.284 40 5 IGBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000014271018 557430337 /nfs/dbraw/zinc/43/03/37/557430337.db2.gz BAHDUGYLLYKYFS-UHFFFAOYSA-N 0 0 445.457 3.239 40 5 IGBBRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000103560800 557438959 /nfs/dbraw/zinc/43/89/59/557438959.db2.gz IOOAFZCJSSRLCE-VNTMZGSJSA-N 0 0 446.463 3.089 40 5 IGBBRN Cc1ccc(CCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222366066 568638281 /nfs/dbraw/zinc/63/82/81/568638281.db2.gz SZJDOYIZNIXYCJ-UHFFFAOYSA-N 0 0 433.530 3.198 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222370765 568640177 /nfs/dbraw/zinc/64/01/77/568640177.db2.gz NZTSPBZTBOEXRZ-UHFFFAOYSA-N 0 0 443.428 3.067 40 5 IGBBRN CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527300 568650518 /nfs/dbraw/zinc/65/05/18/568650518.db2.gz FTKDWWPKPUTDTL-FQEVSTJZSA-N 0 0 433.530 3.197 40 5 IGBBRN CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000222644101 568656273 /nfs/dbraw/zinc/65/62/73/568656273.db2.gz VKUNTDDYLYFPPR-UHFFFAOYSA-N 0 0 435.502 3.351 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222678664 568657008 /nfs/dbraw/zinc/65/70/08/568657008.db2.gz FKLXLNRFNNQIGL-UHFFFAOYSA-N 0 0 443.428 3.067 40 5 IGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222804817 568661210 /nfs/dbraw/zinc/66/12/10/568661210.db2.gz UBIIPWHDSYAPRO-HXUWFJFHSA-N 0 0 427.501 3.478 40 5 IGBBRN 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/nfs/dbraw/zinc/13/52/37/557135237.db2.gz DLGZCLURROLRRR-OAHLLOKOSA-N 0 0 435.502 3.484 40 5 IGBBRN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022278873 557194704 /nfs/dbraw/zinc/19/47/04/557194704.db2.gz NXMOWTYTQWEMIE-UHFFFAOYSA-N 0 0 441.465 3.437 40 5 IGBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000101166823 557257446 /nfs/dbraw/zinc/25/74/46/557257446.db2.gz IKDDKLDLWXZRND-HBMCJLEFSA-N 0 0 430.420 3.349 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(COc2ccccc2F)n1 ZINC000014152639 557310052 /nfs/dbraw/zinc/31/00/52/557310052.db2.gz NNEXTNWAPTZKTF-UHFFFAOYSA-N 0 0 433.421 3.170 40 5 IGBBRN COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1OC ZINC000408528455 557413244 /nfs/dbraw/zinc/41/32/44/557413244.db2.gz FCUZKOPQBPCHLQ-UHFFFAOYSA-N 0 0 426.341 3.196 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(C)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408573880 557419409 /nfs/dbraw/zinc/41/94/09/557419409.db2.gz PRHVLJKEKPRTBU-UHFFFAOYSA-N 0 0 427.457 3.051 40 5 IGBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000408601813 557420813 /nfs/dbraw/zinc/42/08/13/557420813.db2.gz BTYVPNKFRXVPKG-UHFFFAOYSA-N 0 0 447.513 3.341 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408645586 557425066 /nfs/dbraw/zinc/42/50/66/557425066.db2.gz MDCXIQZBUSNUJQ-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408659033 557425641 /nfs/dbraw/zinc/42/56/41/557425641.db2.gz VKSIEMSBNDMKLD-QFIXIFRTSA-N 0 0 447.447 3.032 40 5 IGBBRN CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408660143 557425770 /nfs/dbraw/zinc/42/57/70/557425770.db2.gz KYBUAPGRQCDUJS-UHFFFAOYSA-N 0 0 441.440 3.397 40 5 IGBBRN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408665144 557426386 /nfs/dbraw/zinc/42/63/86/557426386.db2.gz URGMNXDGVARLIM-UHFFFAOYSA-N 0 0 427.413 3.006 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000408661054 557427210 /nfs/dbraw/zinc/42/72/10/557427210.db2.gz OBWSWXARPQNJQJ-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(C)=O)N2C=Cc4ccccc4[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000104019940 557449196 /nfs/dbraw/zinc/44/91/96/557449196.db2.gz DPMUTYNODWNDAB-YSFYHYPLSA-N 0 0 447.447 3.016 40 5 IGBBRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224831165 557656443 /nfs/dbraw/zinc/65/64/43/557656443.db2.gz RKEOOCYYTPRTOA-MRXNPFEDSA-N 0 0 443.566 3.482 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000260842538 557861332 /nfs/dbraw/zinc/86/13/32/557861332.db2.gz AZTVEOJEFMUSMX-KRWDZBQOSA-N 0 0 433.530 3.369 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000222360868 568637956 /nfs/dbraw/zinc/63/79/56/568637956.db2.gz RKQXYGBJAQEVDG-UHFFFAOYSA-N 0 0 425.894 3.111 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000222370593 568640169 /nfs/dbraw/zinc/64/01/69/568640169.db2.gz DBCSXWUBBAIOJG-UHFFFAOYSA-N 0 0 443.428 3.067 40 5 IGBBRN CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547245 568652356 /nfs/dbraw/zinc/65/23/56/568652356.db2.gz BVJXTNRBPSEGCP-QGZVFWFLSA-N 0 0 439.534 3.155 40 5 IGBBRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544949 568652378 /nfs/dbraw/zinc/65/23/78/568652378.db2.gz LXFVDFHHHSAUHB-OAHLLOKOSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222548133 568652691 /nfs/dbraw/zinc/65/26/91/568652691.db2.gz JQTKADNQAWYVBJ-KRWDZBQOSA-N 0 0 447.513 3.127 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000222854098 568735558 /nfs/dbraw/zinc/73/55/58/568735558.db2.gz MFZXCTZZZDKQIM-UHFFFAOYSA-N 0 0 427.482 3.139 40 5 IGBBRN 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Cc1c(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220035075 556810433 /nfs/dbraw/zinc/81/04/33/556810433.db2.gz ROMGKNACVCNKJI-INIZCTEOSA-N 0 0 447.513 3.088 40 5 IGBBRN CC(C)Oc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220108763 556986667 /nfs/dbraw/zinc/98/66/67/556986667.db2.gz LVUMPLXWLLLZSD-UHFFFAOYSA-N 0 0 441.893 3.440 40 5 IGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000021143608 557136535 /nfs/dbraw/zinc/13/65/35/557136535.db2.gz UOWOMHYTVPNNFL-QGZVFWFLSA-N 0 0 429.498 3.376 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101169172 557257380 /nfs/dbraw/zinc/25/73/80/557257380.db2.gz RRLRTYLZAZPELC-DWKCODDLSA-N 0 0 449.500 3.318 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000408643390 557424756 /nfs/dbraw/zinc/42/47/56/557424756.db2.gz FWBKYOISEGHSFD-UHFFFAOYSA-N 0 0 429.388 3.131 40 5 IGBBRN CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000408661076 557426362 /nfs/dbraw/zinc/42/63/62/557426362.db2.gz CZJJWWITTGFLFJ-UHFFFAOYSA-N 0 0 427.413 3.088 40 5 IGBBRN CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000408663072 557426392 /nfs/dbraw/zinc/42/63/92/557426392.db2.gz KUTNWBBIEGWLQV-UHFFFAOYSA-N 0 0 427.413 3.088 40 5 IGBBRN CC[C@H](C)N1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000103459249 557437423 /nfs/dbraw/zinc/43/74/23/557437423.db2.gz SYYZSHSUUWGNRU-BPNWIANQSA-N 0 0 445.475 3.461 40 5 IGBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCC1 ZINC000106756115 557532220 /nfs/dbraw/zinc/53/22/20/557532220.db2.gz ROBFVXMIUDOCEF-AQTBWJFISA-N 0 0 440.481 3.434 40 5 IGBBRN COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225006198 557676632 /nfs/dbraw/zinc/67/66/32/557676632.db2.gz GMRHWGTURJIDAT-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000222374698 568640486 /nfs/dbraw/zinc/64/04/86/568640486.db2.gz VMMKARWZVMAEKU-UHFFFAOYSA-N 0 0 431.580 3.097 40 5 IGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222494244 568650103 /nfs/dbraw/zinc/65/01/03/568650103.db2.gz UHXAKVXNOYQZNA-HNNXBMFYSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222523043 568650311 /nfs/dbraw/zinc/65/03/11/568650311.db2.gz RIZUJBQVWSDPKQ-QGZVFWFLSA-N 0 0 425.894 3.109 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542677 568652081 /nfs/dbraw/zinc/65/20/81/568652081.db2.gz AOAOEFAPJYTSRD-KSSFIOAISA-N 0 0 437.493 3.464 40 5 IGBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(Cl)c1 ZINC000218350224 568741947 /nfs/dbraw/zinc/74/19/47/568741947.db2.gz PPMHKNNSGXFBIN-UHFFFAOYSA-N 0 0 436.248 3.445 40 5 IGBBRN 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CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000138756743 569111951 /nfs/dbraw/zinc/11/19/51/569111951.db2.gz MVGDQEWNTQEJLV-QGZVFWFLSA-N 0 0 439.468 3.254 40 5 IGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000138850057 569118777 /nfs/dbraw/zinc/11/87/77/569118777.db2.gz GPPFSZRLYUZJDP-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017086145 569172293 /nfs/dbraw/zinc/17/22/93/569172293.db2.gz IEGVNGKPUWBJMG-UHFFFAOYSA-N 0 0 449.423 3.468 40 5 IGBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017098369 569173548 /nfs/dbraw/zinc/17/35/48/569173548.db2.gz QTLIFHGRYBVWMS-UHFFFAOYSA-N 0 0 433.421 3.369 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C ZINC000009974159 569220478 /nfs/dbraw/zinc/22/04/78/569220478.db2.gz KZUZROHPZNYHOT-INIZCTEOSA-N 0 0 447.513 3.260 40 5 IGBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000010433867 569224173 /nfs/dbraw/zinc/22/41/73/569224173.db2.gz NOSXOKVKOXWUKN-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN NC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000107607607 569250591 /nfs/dbraw/zinc/25/05/91/569250591.db2.gz SIPYPVRHFNLXFQ-NVMNQCDNSA-N 0 0 436.449 3.271 40 5 IGBBRN Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000009064500 569293272 /nfs/dbraw/zinc/29/32/72/569293272.db2.gz AVVSIJZIIHJSGB-UHFFFAOYSA-N 0 0 448.932 3.159 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225493155 569304509 /nfs/dbraw/zinc/30/45/09/569304509.db2.gz ARPIVQZVBVXWDW-QGZVFWFLSA-N 0 0 443.500 3.233 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000260912672 569312531 /nfs/dbraw/zinc/31/25/31/569312531.db2.gz BKZRTXDHBDRWOX-HZPDHXFCSA-N 0 0 445.541 3.424 40 5 IGBBRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000261363975 569315788 /nfs/dbraw/zinc/31/57/88/569315788.db2.gz IVMMFVUWQHUOFB-HXUWFJFHSA-O 0 0 438.489 3.460 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868222 569331182 /nfs/dbraw/zinc/33/11/82/569331182.db2.gz POEFPPJEUOXWHJ-UHFFFAOYSA-N 0 0 437.905 3.429 40 5 IGBBRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020106702 569333814 /nfs/dbraw/zinc/33/38/14/569333814.db2.gz YAOKFVLPWMMJGU-HXUWFJFHSA-N 0 0 449.529 3.273 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003213120 569441715 /nfs/dbraw/zinc/44/17/15/569441715.db2.gz GETLPMSWDMZKSS-UHFFFAOYSA-N 0 0 429.907 3.349 40 5 IGBBRN COc1ccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000218053369 569456123 /nfs/dbraw/zinc/45/61/23/569456123.db2.gz FKTBWKFSSFHWRF-UHFFFAOYSA-N 0 0 444.469 3.212 40 5 IGBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503313 569461624 /nfs/dbraw/zinc/46/16/24/569461624.db2.gz UJFBUFVFZRRQHV-YQORSWRPSA-N 0 0 441.399 3.380 40 5 IGBBRN CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505433 132348908 /nfs/dbraw/zinc/34/89/08/132348908.db2.gz OAWFXFHXSOSZIR-QFIPXVFZSA-N 0 0 435.532 3.343 40 5 IGBBRN CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000020641139 521145149 /nfs/dbraw/zinc/14/51/49/521145149.db2.gz FECBXBOAEJTKAZ-QKLQHJQFSA-N 0 0 431.445 3.458 40 5 IGBBRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408652443 556613135 /nfs/dbraw/zinc/61/31/35/556613135.db2.gz ONRYBPJSAXVKLG-ZBFHGGJFSA-N 0 0 426.425 3.079 40 5 IGBBRN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000408655209 556613499 /nfs/dbraw/zinc/61/34/99/556613499.db2.gz LMQMFRZBLYKTNZ-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408656957 556613895 /nfs/dbraw/zinc/61/38/95/556613895.db2.gz SZLWYEBBULCHEB-GFCCVEGCSA-N 0 0 429.816 3.026 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408687796 556616068 /nfs/dbraw/zinc/61/60/68/556616068.db2.gz VDBCSNDTDMLGPK-VQTJNVASSA-N 0 0 447.447 3.176 40 5 IGBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409070044 556629606 /nfs/dbraw/zinc/62/96/06/556629606.db2.gz KJODSWLYJPXNIL-VCBXAZPMSA-N 0 0 432.410 3.461 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220027579 556644989 /nfs/dbraw/zinc/64/49/89/556644989.db2.gz MATZNDZAPXYJGR-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN Cc1c(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220026278 556645027 /nfs/dbraw/zinc/64/50/27/556645027.db2.gz QORCHSAGEGGYSO-UHFFFAOYSA-N 0 0 446.312 3.292 40 5 IGBBRN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000013626242 556704067 /nfs/dbraw/zinc/70/40/67/556704067.db2.gz IHGXQWDGNSOYBF-CIAFKFPVSA-N 0 0 445.475 3.463 40 5 IGBBRN Cc1cs/c(=N\C(=O)c2cc(F)ccc2[N+](=O)[O-])n1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044831473 556722333 /nfs/dbraw/zinc/72/23/33/556722333.db2.gz MDAYLSAEHVKJDQ-UZYVYHOESA-N 0 0 448.363 3.382 40 5 IGBBRN O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 ZINC000409375454 557087240 /nfs/dbraw/zinc/08/72/40/557087240.db2.gz KXSOZYZVOVETNK-HNNXBMFYSA-N 0 0 444.245 3.112 40 5 IGBBRN C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419241 557149762 /nfs/dbraw/zinc/14/97/62/557149762.db2.gz RPUMWYQFWGFIHT-RDTXWAMCSA-N 0 0 447.513 3.168 40 5 IGBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000220421915 557154445 /nfs/dbraw/zinc/15/44/45/557154445.db2.gz GHXYOVIHQLJSSH-KUHUBIRLSA-N 0 0 435.502 3.025 40 5 IGBBRN O=C(NCc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000013987643 557241426 /nfs/dbraw/zinc/24/14/26/557241426.db2.gz SXJIZFWKKXFQDD-UHFFFAOYSA-N 0 0 434.408 3.363 40 5 IGBBRN O=C([C@@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 ZINC000027666383 557270839 /nfs/dbraw/zinc/27/08/39/557270839.db2.gz JYQQHGTVVDKFCR-QFIPXVFZSA-N 0 0 429.524 3.061 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220030611 557277860 /nfs/dbraw/zinc/27/78/60/557277860.db2.gz XLVHEHLSKMGHEB-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN CCOc1cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000014270405 557332735 /nfs/dbraw/zinc/33/27/35/557332735.db2.gz DUZFMCPVEMOZGD-UHFFFAOYSA-N 0 0 448.501 3.422 40 5 IGBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 ZINC000408566219 557418098 /nfs/dbraw/zinc/41/80/98/557418098.db2.gz FCIJVWMXHWVGCL-GOSISDBHSA-N 0 0 428.470 3.481 40 5 IGBBRN O=C(OCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100539024 557420127 /nfs/dbraw/zinc/42/01/27/557420127.db2.gz IKRYMYYEMMINCF-UHFFFAOYSA-N 0 0 449.332 3.369 40 5 IGBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408650644 557425601 /nfs/dbraw/zinc/42/56/01/557425601.db2.gz MMQOPFPOPWMMIT-YSGRDPCXSA-N 0 0 449.463 3.256 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000408660591 557426040 /nfs/dbraw/zinc/42/60/40/557426040.db2.gz BBGUTKLKLATBRS-UHFFFAOYSA-N 0 0 435.820 3.157 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408665093 557426621 /nfs/dbraw/zinc/42/66/21/557426621.db2.gz TZBFUIJOFIBBGA-UHFFFAOYSA-N 0 0 435.820 3.157 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408664007 557426808 /nfs/dbraw/zinc/42/68/08/557426808.db2.gz YMSHDTDFYHISFZ-WOJBJXKFSA-N 0 0 447.447 3.095 40 5 IGBBRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1C ZINC000408669149 557427435 /nfs/dbraw/zinc/42/74/35/557427435.db2.gz MWYNRMRBZGNIEO-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000408661053 557427447 /nfs/dbraw/zinc/42/74/47/557427447.db2.gz OBWSWXARPQNJQJ-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225119182 557689320 /nfs/dbraw/zinc/68/93/20/557689320.db2.gz ZGFLTGRWMWCKKP-UHFFFAOYSA-N 0 0 446.840 3.154 40 5 IGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260810684 557857093 /nfs/dbraw/zinc/85/70/93/557857093.db2.gz JJBWKGSRZXTHPX-QAPCUYQASA-N 0 0 449.529 3.334 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000138901257 568634943 /nfs/dbraw/zinc/63/49/43/568634943.db2.gz POAXVRBDDJJUJD-UHFFFAOYSA-N 0 0 435.820 3.157 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O ZINC000222368939 568638510 /nfs/dbraw/zinc/63/85/10/568638510.db2.gz NDXQBJJLPZHXMB-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527217 568650504 /nfs/dbraw/zinc/65/05/04/568650504.db2.gz DENHAEXLQZNACL-HXUWFJFHSA-N 0 0 433.530 3.197 40 5 IGBBRN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534205 568651407 /nfs/dbraw/zinc/65/14/07/568651407.db2.gz VZHODMUAPIBYNE-KRWDZBQOSA-N 0 0 439.921 3.418 40 5 IGBBRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544247 568652394 /nfs/dbraw/zinc/65/23/94/568652394.db2.gz ARYJUEKDFBVSHJ-INIZCTEOSA-N 0 0 435.502 3.404 40 5 IGBBRN C[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222883367 568736653 /nfs/dbraw/zinc/73/66/53/568736653.db2.gz WRHJGVZYUXRWCP-HNNXBMFYSA-N 0 0 427.482 3.219 40 5 IGBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223378752 568820153 /nfs/dbraw/zinc/82/01/53/568820153.db2.gz NYEUTFTXJVGSSD-BEFAXECRSA-N 0 0 449.529 3.334 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223596698 568875687 /nfs/dbraw/zinc/87/56/87/568875687.db2.gz ZPEWUAPMMSAHIW-WOJBJXKFSA-N 0 0 440.481 3.223 40 5 IGBBRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000223582282 568875792 /nfs/dbraw/zinc/87/57/92/568875792.db2.gz BUIBMBICXSGYBN-UHFFFAOYSA-N 0 0 432.458 3.173 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224105614 568905421 /nfs/dbraw/zinc/90/54/21/568905421.db2.gz VFFRLVOHDZJSCR-KRWDZBQOSA-N 0 0 443.500 3.172 40 5 IGBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224388236 568924084 /nfs/dbraw/zinc/92/40/84/568924084.db2.gz YJGLCNOVQGQQJC-SFHVURJKSA-N 0 0 447.463 3.065 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1[N+](=O)[O-] ZINC000138898817 569128155 /nfs/dbraw/zinc/12/81/55/569128155.db2.gz FDWVENGBBOWJGF-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN CCc1cccc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017095901 569172474 /nfs/dbraw/zinc/17/24/74/569172474.db2.gz OXQRZFGINRHFIG-UHFFFAOYSA-N 0 0 428.514 3.429 40 5 IGBBRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017102776 569173257 /nfs/dbraw/zinc/17/32/57/569173257.db2.gz LFCRPAPOECUDCF-UHFFFAOYSA-N 0 0 438.868 3.351 40 5 IGBBRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224781949 569186879 /nfs/dbraw/zinc/18/68/79/569186879.db2.gz WOZIAJZZVNECPV-UHFFFAOYSA-N 0 0 430.841 3.454 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000224956947 569203374 /nfs/dbraw/zinc/20/33/74/569203374.db2.gz WUGDFNQFLUWNHC-UHFFFAOYSA-N 0 0 446.529 3.298 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224970853 569204700 /nfs/dbraw/zinc/20/47/00/569204700.db2.gz OGSOQPCHJWZNLV-UHFFFAOYSA-N 0 0 446.529 3.298 40 5 IGBBRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225028071 569213747 /nfs/dbraw/zinc/21/37/47/569213747.db2.gz OZWTYVIOYOPZLF-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225080956 569215586 /nfs/dbraw/zinc/21/55/86/569215586.db2.gz ILAVDBOHRFOTDB-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN O=C1[C@@H]2[C@H](c3ccc(O)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000017884925 569269127 /nfs/dbraw/zinc/26/91/27/569269127.db2.gz GZEQEFZTLJYHLO-FSSWDIPSSA-N 0 0 445.431 3.347 40 5 IGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225350492 569291952 /nfs/dbraw/zinc/29/19/52/569291952.db2.gz SBUTVKHMULZPHI-IAGOWNOFSA-N 0 0 427.501 3.478 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009331628 569295715 /nfs/dbraw/zinc/29/57/15/569295715.db2.gz FSIMUIITLVUBGL-AWWSKVOZSA-N 0 0 449.500 3.033 40 5 IGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225384020 569295948 /nfs/dbraw/zinc/29/59/48/569295948.db2.gz KVOAQLCQGSGAKR-IRXDYDNUSA-N 0 0 427.501 3.478 40 5 IGBBRN Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)N(C)C)c1 ZINC000009694872 569297734 /nfs/dbraw/zinc/29/77/34/569297734.db2.gz ZUXBZYZSQPHGAG-UHFFFAOYSA-N 0 0 440.909 3.117 40 5 IGBBRN CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507550 569307002 /nfs/dbraw/zinc/30/70/02/569307002.db2.gz MOBMKAJSTHUNGE-VQTJNVASSA-N 0 0 431.514 3.333 40 5 IGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 ZINC000019629575 569324024 /nfs/dbraw/zinc/32/40/24/569324024.db2.gz UHYSSELSGUISGA-UHFFFAOYSA-N 0 0 439.482 3.196 40 5 IGBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000019640804 569324991 /nfs/dbraw/zinc/32/49/91/569324991.db2.gz PENAKMVDHQCUBQ-UHFFFAOYSA-N 0 0 444.513 3.387 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867628 569330670 /nfs/dbraw/zinc/33/06/70/569330670.db2.gz ROAVWNGKGBXFIU-UHFFFAOYSA-N 0 0 437.905 3.429 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000020063177 569332918 /nfs/dbraw/zinc/33/29/18/569332918.db2.gz CTTCSYUYPBHYLC-UHFFFAOYSA-N 0 0 439.449 3.418 40 5 IGBBRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226092718 569410021 /nfs/dbraw/zinc/41/00/21/569410021.db2.gz AQJZFMSCHSIXER-UHFFFAOYSA-N 0 0 437.905 3.005 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000218437989 569457854 /nfs/dbraw/zinc/45/78/54/569457854.db2.gz ICLNAUOMUDDHMP-HXUWFJFHSA-N 0 0 439.449 3.190 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004111600 569459447 /nfs/dbraw/zinc/45/94/47/569459447.db2.gz KJUOOIWMFCZXRI-OVCNXMPXSA-N 0 0 449.500 3.318 40 5 IGBBRN O=C1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N2N=CNC2=N1 ZINC000038191783 569462307 /nfs/dbraw/zinc/46/23/07/569462307.db2.gz SPQVOMFIFAFGDN-OAHLLOKOSA-N 0 0 444.245 3.112 40 5 IGBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)C1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)C2 ZINC000008735657 569472476 /nfs/dbraw/zinc/47/24/76/569472476.db2.gz PZBNVZGBFNOKDU-XMSQKQJNSA-N 0 0 449.573 3.423 40 5 IGBBRN COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c31)O[C@@H]1OC=C[C@H]21 ZINC000225420318 291357409 /nfs/dbraw/zinc/35/74/09/291357409.db2.gz PWDXABLHFDFFEB-GHIWOLQHSA-N 0 0 426.421 3.201 40 5 biogenic,in-vitro IGBBRN CCSc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000020486808 521775145 /nfs/dbraw/zinc/77/51/45/521775145.db2.gz AXXALKNYSTVPGA-UHFFFAOYSA-N 0 0 439.515 3.120 40 5 IGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000012644404 525565736 /nfs/dbraw/zinc/56/57/36/525565736.db2.gz LRAYOJCARDBHTE-UHFFFAOYSA-N 0 0 430.892 3.390 40 5 IGBBRN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504722 535722543 /nfs/dbraw/zinc/72/25/43/535722543.db2.gz HVSZWKFMVWDHGG-OAQYLSRUSA-N 0 0 439.495 3.432 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000408557917 555896248 /nfs/dbraw/zinc/89/62/48/555896248.db2.gz OUFZCUUKONXLND-INIZCTEOSA-N 0 0 447.513 3.341 40 5 IGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408656166 556613688 /nfs/dbraw/zinc/61/36/88/556613688.db2.gz IOCRSWXVGHUAQL-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408682157 556616026 /nfs/dbraw/zinc/61/60/26/556616026.db2.gz JBYZDOARCHERDW-QFIXIFRTSA-N 0 0 447.447 3.032 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013679767 556710457 /nfs/dbraw/zinc/71/04/57/556710457.db2.gz VIVRMUWISICEEB-UHFFFAOYSA-N 0 0 431.514 3.208 40 5 IGBBRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000408932801 556895073 /nfs/dbraw/zinc/89/50/73/556895073.db2.gz FBXDWAQAJHCPQH-SXGWCWSVSA-N 0 0 431.401 3.418 40 5 IGBBRN O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(F)cc1 ZINC000409366009 557083960 /nfs/dbraw/zinc/08/39/60/557083960.db2.gz YMHONNILUKCJHR-SOFYXZRVSA-N 0 0 445.384 3.138 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O ZINC000220387346 557134234 /nfs/dbraw/zinc/13/42/34/557134234.db2.gz NRBLTLOMNQXPOP-OAHLLOKOSA-N 0 0 443.591 3.240 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000220387454 557134248 /nfs/dbraw/zinc/13/42/48/557134248.db2.gz DMESCEBFKPPBEQ-NSHDSACASA-N 0 0 429.857 3.489 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000220390900 557135164 /nfs/dbraw/zinc/13/51/64/557135164.db2.gz DLGZCLURROLRRR-HNNXBMFYSA-N 0 0 435.502 3.484 40 5 IGBBRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400558 557143505 /nfs/dbraw/zinc/14/35/05/557143505.db2.gz UAUXBZQXABLGJH-NSHDSACASA-N 0 0 442.291 3.151 40 5 IGBBRN C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220415944 557149769 /nfs/dbraw/zinc/14/97/69/557149769.db2.gz TZKKIGQJSYSCJC-AWEZNQCLSA-N 0 0 439.921 3.152 40 5 IGBBRN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014273135 557332104 /nfs/dbraw/zinc/33/21/04/557332104.db2.gz LWOKEZCPMLITDD-UHFFFAOYSA-N 0 0 446.891 3.174 40 5 IGBBRN CCOc1ccc(N([C@@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220672862 557363916 /nfs/dbraw/zinc/36/39/16/557363916.db2.gz NMCTUISKBVBHTI-IBGZPJMESA-N 0 0 435.502 3.485 40 5 IGBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 ZINC000102690721 557364154 /nfs/dbraw/zinc/36/41/54/557364154.db2.gz GOHDMJMWXUVVEM-FGTMMUONSA-N 0 0 447.278 3.437 40 5 IGBBRN CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220673248 557364185 /nfs/dbraw/zinc/36/41/85/557364185.db2.gz VPWCZRUERNXYKA-GOSISDBHSA-N 0 0 435.502 3.485 40 5 IGBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408625340 557422455 /nfs/dbraw/zinc/42/24/55/557422455.db2.gz SBYZJHZXAYCALY-UHFFFAOYSA-N 0 0 441.893 3.344 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408645818 557425116 /nfs/dbraw/zinc/42/51/16/557425116.db2.gz MDCXIQZBUSNUJQ-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408647533 557425260 /nfs/dbraw/zinc/42/52/60/557425260.db2.gz JKQANYLMJMRLDO-CDHQVMDDSA-N 0 0 449.463 3.399 40 5 IGBBRN CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000408669645 557426050 /nfs/dbraw/zinc/42/60/50/557426050.db2.gz XVNDRWKYPQHHIV-UHFFFAOYSA-N 0 0 427.413 3.088 40 5 IGBBRN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408660803 557426123 /nfs/dbraw/zinc/42/61/23/557426123.db2.gz WXDGKOOFBHINNP-UJKMTWAASA-N 0 0 439.427 3.132 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408667717 557426618 /nfs/dbraw/zinc/42/66/18/557426618.db2.gz KAPPYKPFWXNVQW-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000408664482 557426649 /nfs/dbraw/zinc/42/66/49/557426649.db2.gz QYSWQKFOSVHBJG-UHFFFAOYSA-N 0 0 441.440 3.397 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000408663266 557427938 /nfs/dbraw/zinc/42/79/38/557427938.db2.gz MXYOJRALQIJMAI-UHFFFAOYSA-N 0 0 429.429 3.121 40 5 IGBBRN CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccccc1 ZINC000020051774 557514513 /nfs/dbraw/zinc/51/45/13/557514513.db2.gz NBEUVUREAUBGSI-UHFFFAOYSA-N 0 0 445.523 3.320 40 5 IGBBRN C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000260924472 568630085 /nfs/dbraw/zinc/63/00/85/568630085.db2.gz HYLUACICFCGVAD-CABCVRRESA-N 0 0 431.514 3.115 40 5 IGBBRN C[C@@H](CCc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222364969 568638239 /nfs/dbraw/zinc/63/82/39/568638239.db2.gz DJIWEBFSRNYAAZ-KRWDZBQOSA-N 0 0 433.530 3.279 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000222370154 568638512 /nfs/dbraw/zinc/63/85/12/568638512.db2.gz FDUSDXSSHMMPIB-OAHLLOKOSA-N 0 0 435.502 3.027 40 5 IGBBRN CC(=O)c1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222375718 568639461 /nfs/dbraw/zinc/63/94/61/568639461.db2.gz NVFKQMZZVSOYOA-UHFFFAOYSA-N 0 0 433.486 3.291 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222539013 568651763 /nfs/dbraw/zinc/65/17/63/568651763.db2.gz AXIPUGMRRQHJJA-MRXNPFEDSA-N 0 0 427.429 3.365 40 5 IGBBRN CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540349 568652099 /nfs/dbraw/zinc/65/20/99/568652099.db2.gz YDZZNSLTVUDLTH-SFHVURJKSA-N 0 0 431.514 3.427 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000222558853 568652993 /nfs/dbraw/zinc/65/29/93/568652993.db2.gz XLXYAYOHLXCUKA-UHFFFAOYSA-N 0 0 447.513 3.268 40 5 IGBBRN Cc1c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222679409 568656976 /nfs/dbraw/zinc/65/69/76/568656976.db2.gz LJZOHHPAWAWHDN-UHFFFAOYSA-N 0 0 427.429 3.366 40 5 IGBBRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222780596 568661438 /nfs/dbraw/zinc/66/14/38/568661438.db2.gz BRSNDEWCDAWDEE-JKSUJKDBSA-N 0 0 433.530 3.498 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222928966 568739918 /nfs/dbraw/zinc/73/99/18/568739918.db2.gz ZAZRJYXBCWGIEW-AWEZNQCLSA-N 0 0 449.891 3.189 40 5 IGBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000016320830 568876863 /nfs/dbraw/zinc/87/68/63/568876863.db2.gz JWMWYTDLJSEQNI-UHFFFAOYSA-N 0 0 437.275 3.443 40 5 IGBBRN COc1ccccc1[C@H](C)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224166465 568908264 /nfs/dbraw/zinc/90/82/64/568908264.db2.gz QTIZCDDBYMSGEK-HNNXBMFYSA-N 0 0 435.502 3.027 40 5 IGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224388181 568923960 /nfs/dbraw/zinc/92/39/60/568923960.db2.gz YJGLCNOVQGQQJC-GOSISDBHSA-N 0 0 447.463 3.065 40 5 IGBBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000017098001 569173662 /nfs/dbraw/zinc/17/36/62/569173662.db2.gz BAUZXUTVMAUBNT-VIFPVBQESA-N 0 0 432.527 3.315 40 5 IGBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224734884 569184302 /nfs/dbraw/zinc/18/43/02/569184302.db2.gz CTXHBSBYZRCYHV-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN CCN(c1ccc(I)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001574 569212393 /nfs/dbraw/zinc/21/23/93/569212393.db2.gz HXLQAMGKRFBHSG-UHFFFAOYSA-N 0 0 432.239 3.415 40 5 IGBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000008904252 569292221 /nfs/dbraw/zinc/29/22/21/569292221.db2.gz WRPYFFDLXMUIAR-UHFFFAOYSA-N 0 0 442.453 3.080 40 5 IGBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000225381901 569295993 /nfs/dbraw/zinc/29/59/93/569295993.db2.gz YWKFWODJLIBZND-KRWDZBQOSA-N 0 0 449.529 3.254 40 5 IGBBRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113886234 569297040 /nfs/dbraw/zinc/29/70/40/569297040.db2.gz GCANMMYDNGKMKK-UHFFFAOYSA-N 0 0 432.376 3.372 40 5 IGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225391455 569297058 /nfs/dbraw/zinc/29/70/58/569297058.db2.gz DNXFQCWYIHYXMS-FQEVSTJZSA-N 0 0 427.501 3.480 40 5 IGBBRN COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)c1 ZINC000013083838 569309312 /nfs/dbraw/zinc/30/93/12/569309312.db2.gz AWJSXFWLGCPDPC-HNNXBMFYSA-N 0 0 444.469 3.222 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000013424580 569316097 /nfs/dbraw/zinc/31/60/97/569316097.db2.gz BMZPCEGXIALMSL-UHFFFAOYSA-N 0 0 444.429 3.038 40 5 IGBBRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000019867671 569330585 /nfs/dbraw/zinc/33/05/85/569330585.db2.gz OJYSQVMNDXPFPM-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000019933901 569331998 /nfs/dbraw/zinc/33/19/98/569331998.db2.gz UNOUWBCGSZYJRG-UHFFFAOYSA-N 0 0 439.877 3.294 40 5 IGBBRN CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057671847 569440797 /nfs/dbraw/zinc/44/07/97/569440797.db2.gz DORZDLUXWBDSTF-JOCHJYFZSA-N 0 0 435.532 3.487 40 5 IGBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] ZINC000032126854 569460377 /nfs/dbraw/zinc/46/03/77/569460377.db2.gz JTHZTSVIBAJLCP-UHFFFAOYSA-N 0 0 443.441 3.220 40 5 IGBBRN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1 ZINC000006134724 132276181 /nfs/dbraw/zinc/27/61/81/132276181.db2.gz FPQLFBLZLQHHOM-UHFFFAOYSA-N 0 0 433.486 3.484 40 5 IGBBRN CC(C)[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505220 132348738 /nfs/dbraw/zinc/34/87/38/132348738.db2.gz NIJWSHMXEUCUKB-IBGZPJMESA-N 0 0 427.534 3.210 40 5 IGBBRN CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290762 520812484 /nfs/dbraw/zinc/81/24/84/520812484.db2.gz AJZXEWYHASXHME-IBGZPJMESA-N 0 0 427.534 3.355 40 5 IGBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808627 524013759 /nfs/dbraw/zinc/01/37/59/524013759.db2.gz MCWBHPUGSASSAT-SNYIIPAISA-N 0 0 428.448 3.366 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020451898 525022979 /nfs/dbraw/zinc/02/29/79/525022979.db2.gz YXQNACYLXMKPOY-UHFFFAOYSA-N 0 0 439.877 3.294 40 5 IGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000012490261 525568345 /nfs/dbraw/zinc/56/83/45/525568345.db2.gz KEWIWBZIOXZLQC-UHFFFAOYSA-N 0 0 428.430 3.338 40 5 IGBBRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022348219 526200798 /nfs/dbraw/zinc/20/07/98/526200798.db2.gz KLYDEJOVWMSVDY-GOSISDBHSA-N 0 0 447.513 3.088 40 5 IGBBRN O=C(CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000012644371 526728108 /nfs/dbraw/zinc/72/81/08/526728108.db2.gz OQGLJRYXSMHWRB-UHFFFAOYSA-N 0 0 440.544 3.330 40 5 IGBBRN O=C(C=Cc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016450833 527632503 /nfs/dbraw/zinc/63/25/03/527632503.db2.gz RWJPMEMZOFSLPW-MDZDMXLPSA-N 0 0 430.917 3.485 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408687208 556088256 /nfs/dbraw/zinc/08/82/56/556088256.db2.gz TWVCWZIBZPCVAY-HKUYNNGSSA-N 0 0 447.447 3.176 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408687786 556616888 /nfs/dbraw/zinc/61/68/88/556616888.db2.gz VCNAPMOSHQGFOL-ROUUACIJSA-N 0 0 447.447 3.095 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408687781 556616897 /nfs/dbraw/zinc/61/68/97/556616897.db2.gz VCNAPMOSHQGFOL-HDICACEKSA-N 0 0 447.447 3.095 40 5 IGBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCC(C)CC1 ZINC000408705597 556617736 /nfs/dbraw/zinc/61/77/36/556617736.db2.gz JHHBVDBDCIEVFY-UHFFFAOYSA-N 0 0 433.486 3.276 40 5 IGBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737805 556619511 /nfs/dbraw/zinc/61/95/11/556619511.db2.gz OYZLZPGQYJEJKR-UHFFFAOYSA-N 0 0 432.432 3.269 40 5 IGBBRN O=C1NC(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000409175316 556632754 /nfs/dbraw/zinc/63/27/54/556632754.db2.gz ZZSZRNCQQKTSJM-ATVHPVEESA-N 0 0 428.832 3.182 40 5 IGBBRN O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409176493 556633108 /nfs/dbraw/zinc/63/31/08/556633108.db2.gz PDHLMHPSTBCGOD-QFIPXVFZSA-N 0 0 444.399 3.358 40 5 IGBBRN CSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1 ZINC000040398892 556640833 /nfs/dbraw/zinc/64/08/33/556640833.db2.gz RJGSZZHBWYAKRL-UHFFFAOYSA-N 0 0 436.884 3.183 40 5 IGBBRN CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081822 556947619 /nfs/dbraw/zinc/94/76/19/556947619.db2.gz QQSVFYNRBROYFI-UHFFFAOYSA-N 0 0 446.368 3.423 40 5 IGBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000409182049 556989739 /nfs/dbraw/zinc/98/97/39/556989739.db2.gz HUFJQZXKMGADKO-UHFFFAOYSA-N 0 0 425.418 3.467 40 5 IGBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000205704876 557018342 /nfs/dbraw/zinc/01/83/42/557018342.db2.gz FUVMUNPHHJVYDG-LICLKQGHSA-N 0 0 429.454 3.433 40 5 IGBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC000409333748 557066501 /nfs/dbraw/zinc/06/65/01/557066501.db2.gz VNCGSSZERYGJJZ-UHFFFAOYSA-N 0 0 443.485 3.350 40 5 IGBBRN Cc1cccc(CCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220393628 557135647 /nfs/dbraw/zinc/13/56/47/557135647.db2.gz GTHZCOXOVQFHAM-QGZVFWFLSA-N 0 0 433.530 3.115 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220542278 557351513 /nfs/dbraw/zinc/35/15/13/557351513.db2.gz XPTUQKJXZVNLAD-QGZVFWFLSA-N 0 0 435.502 3.404 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220570059 557352827 /nfs/dbraw/zinc/35/28/27/557352827.db2.gz GBRRECCNENKBAQ-SFHVURJKSA-N 0 0 435.502 3.404 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000023722366 557372234 /nfs/dbraw/zinc/37/22/34/557372234.db2.gz IGYHYUJEZDABER-UHFFFAOYSA-N 0 0 447.513 3.341 40 5 IGBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000408563907 557418067 /nfs/dbraw/zinc/41/80/67/557418067.db2.gz SCZCIGCCMPOEQW-GOSISDBHSA-N 0 0 434.246 3.190 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408596797 557421969 /nfs/dbraw/zinc/42/19/69/557421969.db2.gz SGIPAOUQZFBHLW-NRFANRHFSA-N 0 0 439.493 3.432 40 5 IGBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000408639767 557424154 /nfs/dbraw/zinc/42/41/54/557424154.db2.gz YZZCBESCLDQXNY-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000408644041 557424798 /nfs/dbraw/zinc/42/47/98/557424798.db2.gz CRFSZQQRVZQAPP-UHFFFAOYSA-N 0 0 425.319 3.200 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(C)c1 ZINC000408651024 557425043 /nfs/dbraw/zinc/42/50/43/557425043.db2.gz AMEIFBORRCWTQC-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 ZINC000408640626 557425607 /nfs/dbraw/zinc/42/56/07/557425607.db2.gz BAZRDQANWMMBKP-YJBOKZPZSA-N 0 0 426.425 3.161 40 5 IGBBRN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408660801 557426023 /nfs/dbraw/zinc/42/60/23/557426023.db2.gz WXDGKOOFBHINNP-JQBYJRRVSA-N 0 0 439.427 3.132 40 5 IGBBRN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106729326 557531892 /nfs/dbraw/zinc/53/18/92/557531892.db2.gz NZBYRWUBVDCYPX-YVLHZVERSA-N 0 0 428.422 3.383 40 5 IGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000106763545 557532460 /nfs/dbraw/zinc/53/24/60/557532460.db2.gz IYXXQUJCKQSUHD-JYRVWZFOSA-N 0 0 440.275 3.016 40 5 IGBBRN Cc1c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000000867435 557832052 /nfs/dbraw/zinc/83/20/52/557832052.db2.gz YTENKAIDHNTSIU-UHFFFAOYSA-N 0 0 428.404 3.346 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000222369346 568638532 /nfs/dbraw/zinc/63/85/32/568638532.db2.gz RBJPRRJCBDSJTA-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000222378160 568639703 /nfs/dbraw/zinc/63/97/03/568639703.db2.gz ZMKCJCDAAAPVLV-HNNXBMFYSA-N 0 0 437.493 3.466 40 5 IGBBRN CCOc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222533197 568651415 /nfs/dbraw/zinc/65/14/15/568651415.db2.gz IIIUCMWRELCLED-GOSISDBHSA-N 0 0 435.502 3.485 40 5 IGBBRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000222545974 568652347 /nfs/dbraw/zinc/65/23/47/568652347.db2.gz BJCGCXWJFWCEDU-QGZVFWFLSA-N 0 0 435.502 3.349 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544569 568652451 /nfs/dbraw/zinc/65/24/51/568652451.db2.gz WWIANQSDKZVHQE-KRWDZBQOSA-N 0 0 435.502 3.404 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222632288 568655814 /nfs/dbraw/zinc/65/58/14/568655814.db2.gz JPFFCYSICXSGRP-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222804753 568661213 /nfs/dbraw/zinc/66/12/13/568661213.db2.gz UBIIPWHDSYAPRO-FQEVSTJZSA-N 0 0 427.501 3.478 40 5 IGBBRN C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222807227 568661237 /nfs/dbraw/zinc/66/12/37/568661237.db2.gz CEGXJEMSPWOKLW-OAHLLOKOSA-N 0 0 427.482 3.219 40 5 IGBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222924875 568739871 /nfs/dbraw/zinc/73/98/71/568739871.db2.gz AWXYSNJDPNCKMD-OAHLLOKOSA-N 0 0 431.514 3.117 40 5 IGBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223063087 568778597 /nfs/dbraw/zinc/77/85/97/568778597.db2.gz JDLXFUNJSAOYHP-INIZCTEOSA-N 0 0 427.501 3.478 40 5 IGBBRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224052150 568889485 /nfs/dbraw/zinc/88/94/85/568889485.db2.gz BNHWFURGEPBZAE-KRWDZBQOSA-N 0 0 429.542 3.424 40 5 IGBBRN CCc1ccc(CC)c(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000224073398 568904606 /nfs/dbraw/zinc/90/46/06/568904606.db2.gz SPFVCAQBKGMPTH-UHFFFAOYSA-N 0 0 433.530 3.110 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000138861996 569120985 /nfs/dbraw/zinc/12/09/85/569120985.db2.gz NFVJCMZZIKQEOC-UHFFFAOYSA-N 0 0 444.400 3.102 40 5 IGBBRN CC(=O)CC[C@@](Br)(CC[C@@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] ZINC000017158102 569175134 /nfs/dbraw/zinc/17/51/34/569175134.db2.gz SLQWDVMCAZEWKN-TXEJJXNPSA-N 0 0 446.092 3.241 40 5 IGBBRN COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225088145 569215622 /nfs/dbraw/zinc/21/56/22/569215622.db2.gz BANXPTSLUMNWGM-UHFFFAOYSA-N 0 0 432.376 3.290 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000019159452 569226171 /nfs/dbraw/zinc/22/61/71/569226171.db2.gz RTWAVMFVUCFZBK-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902625 569292195 /nfs/dbraw/zinc/29/21/95/569292195.db2.gz MJSIQVRYEOOHBH-UHFFFAOYSA-N 0 0 444.513 3.345 40 5 IGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225350568 569292800 /nfs/dbraw/zinc/29/28/00/569292800.db2.gz SBUTVKHMULZPHI-SJORKVTESA-N 0 0 427.501 3.478 40 5 IGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000009056367 569293087 /nfs/dbraw/zinc/29/30/87/569293087.db2.gz ZPPBLSSUVJKECH-ISQHLFTMSA-N 0 0 441.399 3.380 40 5 IGBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000009064680 569293402 /nfs/dbraw/zinc/29/34/02/569293402.db2.gz CHJVUAAHRTVHFS-UHFFFAOYSA-N 0 0 444.513 3.387 40 5 IGBBRN CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113877585 569296894 /nfs/dbraw/zinc/29/68/94/569296894.db2.gz VKWDNISYGPZACM-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113892821 569297168 /nfs/dbraw/zinc/29/71/68/569297168.db2.gz PAGGNRWDDTZSNK-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN CC[C@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000011692085 569302813 /nfs/dbraw/zinc/30/28/13/569302813.db2.gz RKAOYDIYRXCCGW-LBPRGKRZSA-N 0 0 445.479 3.423 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225512476 569305567 /nfs/dbraw/zinc/30/55/67/569305567.db2.gz HEDJBXYFOCIOQJ-KRWDZBQOSA-N 0 0 443.500 3.233 40 5 IGBBRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019641436 569324932 /nfs/dbraw/zinc/32/49/32/569324932.db2.gz BABXCOXDYFQMLB-UHFFFAOYSA-N 0 0 444.557 3.005 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008090 569332351 /nfs/dbraw/zinc/33/23/51/569332351.db2.gz RBWNTLWKCKKGPH-HXUWFJFHSA-N 0 0 443.456 3.262 40 5 IGBBRN COc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cc1OC ZINC000002809746 569422387 /nfs/dbraw/zinc/42/23/87/569422387.db2.gz PJKCIKUITZHSOG-UHFFFAOYSA-N 0 0 444.875 3.483 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030849806 569449591 /nfs/dbraw/zinc/44/95/91/569449591.db2.gz HSVJJWUMRRDYOG-GOSISDBHSA-N 0 0 431.514 3.208 40 5 IGBBRN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3Br)n12 ZINC000059488410 569461600 /nfs/dbraw/zinc/46/16/00/569461600.db2.gz JGHVDOJPOORTQG-ZROIWOOFSA-N 0 0 429.255 3.036 40 5 IGBBRN COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000071195265 569582772 /nfs/dbraw/zinc/58/27/72/569582772.db2.gz GJIITPITEARHMD-MRXNPFEDSA-N 0 0 445.815 3.119 40 5 IGBBRN COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000035424999 521752013 /nfs/dbraw/zinc/75/20/13/521752013.db2.gz SVMKGBJLHBGOES-SFHVURJKSA-N 0 0 425.445 3.402 40 5 biogenic,in-vitro IGBBRN COc1cc(OCC(=O)Nc2cccc(I)c2)ccc1[N+](=O)[O-] ZINC000022259445 522892453 /nfs/dbraw/zinc/89/24/53/522892453.db2.gz JLANYZOWGZWERD-UHFFFAOYSA-N 0 0 428.182 3.226 40 5 IGBBRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000022230199 523797430 /nfs/dbraw/zinc/79/74/30/523797430.db2.gz ULKRSNBBWUXYBY-SFHVURJKSA-N 0 0 433.486 3.012 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(I)cc1 ZINC000021125776 525467898 /nfs/dbraw/zinc/46/78/98/525467898.db2.gz REPSUFBHCAOTEX-UHFFFAOYSA-N 0 0 428.182 3.226 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O ZINC000022374754 526077215 /nfs/dbraw/zinc/07/72/15/526077215.db2.gz IEXLDNAONSLFDZ-UHFFFAOYSA-N 0 0 439.921 3.072 40 5 IGBBRN CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640707 556413016 /nfs/dbraw/zinc/41/30/16/556413016.db2.gz FJHDNHFMBNRDHE-RTBURBONSA-N 0 0 445.522 3.072 40 5 IGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640716 556413380 /nfs/dbraw/zinc/41/33/80/556413380.db2.gz KCNITADKTJAPER-MJGOQNOKSA-N 0 0 431.539 3.487 40 5 IGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408685977 556616087 /nfs/dbraw/zinc/61/60/87/556616087.db2.gz QSZKDYVWPOFLOS-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408687783 556616277 /nfs/dbraw/zinc/61/62/77/556616277.db2.gz VCNAPMOSHQGFOL-QZTJIDSGSA-N 0 0 447.447 3.095 40 5 IGBBRN COC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408748921 556619760 /nfs/dbraw/zinc/61/97/60/556619760.db2.gz CRYXEEHLGAYBLQ-UHFFFAOYSA-N 0 0 429.435 3.270 40 5 IGBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000040398930 556641168 /nfs/dbraw/zinc/64/11/68/556641168.db2.gz SUMNYZKZTDULLE-UHFFFAOYSA-N 0 0 444.520 3.173 40 5 IGBBRN O=c1c2cc3c(ccn(-c4nc(C5CCCCC5)n[nH]4)c3=O)nc2ccn1C[C@H]1CCCO1 ZINC000040399034 556641570 /nfs/dbraw/zinc/64/15/70/556641570.db2.gz RROBWMVWEDYJDS-MRXNPFEDSA-N 0 0 446.511 3.045 40 5 IGBBRN O=C(CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409215274 557010193 /nfs/dbraw/zinc/01/01/93/557010193.db2.gz WRHICJCHZDFQJH-XDHOZWIPSA-N 0 0 449.398 3.056 40 5 IGBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C ZINC000409343335 557070607 /nfs/dbraw/zinc/07/06/07/557070607.db2.gz GUHCIJRWKCUYBH-UHFFFAOYSA-N 0 0 443.485 3.350 40 5 IGBBRN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220407209 557143800 /nfs/dbraw/zinc/14/38/00/557143800.db2.gz UGALDXSYLAFQJP-LLVKDONJSA-N 0 0 431.392 3.407 40 5 IGBBRN C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220416182 557149836 /nfs/dbraw/zinc/14/98/36/557149836.db2.gz XWWLEBRYMMZWCE-CQSZACIVSA-N 0 0 439.921 3.152 40 5 IGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000022278242 557194428 /nfs/dbraw/zinc/19/44/28/557194428.db2.gz RPOVJKKJNFJUTN-UHFFFAOYSA-N 0 0 439.493 3.149 40 5 IGBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100891649 557198237 /nfs/dbraw/zinc/19/82/37/557198237.db2.gz QKJYOWDIFZIZCD-QYZOEREBSA-N 0 0 426.860 3.092 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000260592275 557242805 /nfs/dbraw/zinc/24/28/05/557242805.db2.gz SEYACIYYNQCSDC-KXBFYZLASA-N 0 0 431.514 3.252 40 5 IGBBRN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269588 557332727 /nfs/dbraw/zinc/33/27/27/557332727.db2.gz LTYWSAHFUGJCEU-UHFFFAOYSA-N 0 0 442.497 3.499 40 5 IGBBRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100177647 557346017 /nfs/dbraw/zinc/34/60/17/557346017.db2.gz POQDZIIEHKXSAI-LLVKDONJSA-N 0 0 432.349 3.035 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220651189 557361251 /nfs/dbraw/zinc/36/12/51/557361251.db2.gz JKQLSXAITLPYMX-QGZVFWFLSA-N 0 0 441.893 3.440 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000408558722 557416826 /nfs/dbraw/zinc/41/68/26/557416826.db2.gz SRCNKJZDJGGMLU-INIZCTEOSA-N 0 0 447.513 3.341 40 5 IGBBRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408561526 557417087 /nfs/dbraw/zinc/41/70/87/557417087.db2.gz JFOYVGCHJGXOKI-UHFFFAOYSA-N 0 0 433.486 3.095 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408574400 557419153 /nfs/dbraw/zinc/41/91/53/557419153.db2.gz QFTGZWHPKYRHPR-UHFFFAOYSA-N 0 0 427.457 3.133 40 5 IGBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cccc(F)c1 ZINC000408602193 557420713 /nfs/dbraw/zinc/42/07/13/557420713.db2.gz AZSHXJMQNCKWOR-RMKNXTFCSA-N 0 0 426.360 3.123 40 5 IGBBRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408606343 557421303 /nfs/dbraw/zinc/42/13/03/557421303.db2.gz OXTFWSBDGVYKCO-UHFFFAOYSA-N 0 0 433.486 3.177 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408647443 557425048 /nfs/dbraw/zinc/42/50/48/557425048.db2.gz SXEQVINASRVTSV-CQSZACIVSA-N 0 0 445.859 3.400 40 5 IGBBRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408667725 557426342 /nfs/dbraw/zinc/42/63/42/557426342.db2.gz KCOWSEVJJAJWCT-KRWDZBQOSA-N 0 0 439.468 3.254 40 5 IGBBRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408663694 557426377 /nfs/dbraw/zinc/42/63/77/557426377.db2.gz BEFHNMHDRKBMSZ-MRXNPFEDSA-N 0 0 425.441 3.000 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408670483 557427375 /nfs/dbraw/zinc/42/73/75/557427375.db2.gz QIWQSWSMWLZXFS-CQSZACIVSA-N 0 0 445.859 3.400 40 5 IGBBRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408661161 557427745 /nfs/dbraw/zinc/42/77/45/557427745.db2.gz OHMIIFRIGPNOLH-KRWDZBQOSA-N 0 0 439.468 3.254 40 5 IGBBRN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)sc2nc3ccccc3n12 ZINC000110458047 557514261 /nfs/dbraw/zinc/51/42/61/557514261.db2.gz KTGBVQTYXUCHHM-GZTJUZNOSA-N 0 0 433.474 3.306 40 5 IGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000862024 557831805 /nfs/dbraw/zinc/83/18/05/557831805.db2.gz NJCFZAQHPSTZNL-UHFFFAOYSA-N 0 0 438.889 3.392 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O ZINC000222368847 568638488 /nfs/dbraw/zinc/63/84/88/568638488.db2.gz KAXBJNZPRKKGQB-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O ZINC000222368765 568638552 /nfs/dbraw/zinc/63/85/52/568638552.db2.gz ZOZJBOQKILPZIR-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533027 568651429 /nfs/dbraw/zinc/65/14/29/568651429.db2.gz TVESEMKTYUPBAO-QGZVFWFLSA-N 0 0 435.502 3.485 40 5 IGBBRN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2cccnc2)cc1 ZINC000006151056 568847109 /nfs/dbraw/zinc/84/71/09/568847109.db2.gz GFRVENCHVWWLEF-BKUYFWCQSA-N 0 0 432.436 3.086 40 5 IGBBRN COc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016227977 568873853 /nfs/dbraw/zinc/87/38/53/568873853.db2.gz RNGHNOMEAINSKZ-UHFFFAOYSA-N 0 0 434.905 3.094 40 5 IGBBRN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000016809167 569162409 /nfs/dbraw/zinc/16/24/09/569162409.db2.gz AIMCPSRTIXSDND-ZKKFKWFVSA-N 0 0 426.428 3.480 40 5 IGBBRN COc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1[N+](=O)[O-] ZINC000017098337 569173448 /nfs/dbraw/zinc/17/34/48/569173448.db2.gz LUYFJMDDZIKREU-UHFFFAOYSA-N 0 0 433.339 3.295 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224780190 569186334 /nfs/dbraw/zinc/18/63/34/569186334.db2.gz LRVXZZXJPGOFCK-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224932272 569193984 /nfs/dbraw/zinc/19/39/84/569193984.db2.gz QNMLYQSVTGDENU-FQEVSTJZSA-N 0 0 446.529 3.378 40 5 IGBBRN O=C(Cc1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010000717 569220847 /nfs/dbraw/zinc/22/08/47/569220847.db2.gz PLPWSVOZWMRLQH-DEOSSOPVSA-N 0 0 432.432 3.421 40 5 IGBBRN COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000010324048 569222941 /nfs/dbraw/zinc/22/29/41/569222941.db2.gz FFAGTEGWWNASSJ-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000010324044 569222944 /nfs/dbraw/zinc/22/29/44/569222944.db2.gz FFAGTEGWWNASSJ-NSHDSACASA-N 0 0 427.866 3.050 40 5 IGBBRN CC(C)(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033552976 569244591 /nfs/dbraw/zinc/24/45/91/569244591.db2.gz WHJMHLKNYXRVBN-UHFFFAOYSA-N 0 0 433.578 3.154 40 5 IGBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009063803 569293288 /nfs/dbraw/zinc/29/32/88/569293288.db2.gz CHPFQTBUXAUEIA-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000225381864 569295983 /nfs/dbraw/zinc/29/59/83/569295983.db2.gz YWKFWODJLIBZND-QGZVFWFLSA-N 0 0 449.529 3.254 40 5 IGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260503954 569306882 /nfs/dbraw/zinc/30/68/82/569306882.db2.gz AOAOEFAPJYTSRD-KDOFPFPSSA-N 0 0 437.493 3.464 40 5 IGBBRN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)n1 ZINC000013425230 569316138 /nfs/dbraw/zinc/31/61/38/569316138.db2.gz MGYYQAKNULAZKX-UHFFFAOYSA-N 0 0 445.530 3.153 40 5 IGBBRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000019867876 569330559 /nfs/dbraw/zinc/33/05/59/569330559.db2.gz XYBIQQKKSRWARI-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000019867774 569330662 /nfs/dbraw/zinc/33/06/62/569330662.db2.gz YDKFMWISQHQXFM-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000019928438 569332014 /nfs/dbraw/zinc/33/20/14/569332014.db2.gz VANCGVDANAQINB-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN COC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000020412338 569363803 /nfs/dbraw/zinc/36/38/03/569363803.db2.gz QYIUCELCSSDPKU-UHFFFAOYSA-N 0 0 442.453 3.080 40 5 IGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000020410961 569363925 /nfs/dbraw/zinc/36/39/25/569363925.db2.gz WVWWAJWKZHLSLM-UHFFFAOYSA-N 0 0 426.454 3.304 40 5 IGBBRN COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000032127359 569460347 /nfs/dbraw/zinc/46/03/47/569460347.db2.gz FTTFOAWTFUDUED-UHFFFAOYSA-N 0 0 426.473 3.160 40 5 IGBBRN COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000071195266 569582780 /nfs/dbraw/zinc/58/27/80/569582780.db2.gz GJIITPITEARHMD-INIZCTEOSA-N 0 0 445.815 3.119 40 5 IGBBRN COc1cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000010002067 132333625 /nfs/dbraw/zinc/33/36/25/132333625.db2.gz MHPGDIHEZXGYFB-UHFFFAOYSA-N 0 0 435.864 3.236 40 5 IGBBRN Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022348222 526179099 /nfs/dbraw/zinc/17/90/99/526179099.db2.gz KLYDEJOVWMSVDY-SFHVURJKSA-N 0 0 447.513 3.088 40 5 IGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000009056371 555507805 /nfs/dbraw/zinc/50/78/05/555507805.db2.gz ZPPBLSSUVJKECH-ZRDDSIGQSA-N 0 0 441.399 3.380 40 5 IGBBRN CCN(CC)C(=O)c1ccc(C)c2oc3c(C)c(=O)c(N)c(C(=O)N(CC)CC)c-3nc12 ZINC000005662794 556062064 /nfs/dbraw/zinc/06/20/64/556062064.db2.gz NAYXTGWSJYBNPY-UHFFFAOYSA-N 0 0 438.528 3.456 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 ZINC000408653463 556613124 /nfs/dbraw/zinc/61/31/24/556613124.db2.gz PWFSJZQRNUVKKR-HOTGVXAUSA-N 0 0 441.465 3.072 40 5 IGBBRN COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408673243 556613943 /nfs/dbraw/zinc/61/39/43/556613943.db2.gz QQPGJCOIUAMWLF-UHFFFAOYSA-N 0 0 430.413 3.147 40 5 IGBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408677321 556614210 /nfs/dbraw/zinc/61/42/10/556614210.db2.gz BQIFAIIKAXAXCT-YSGRDPCXSA-N 0 0 449.463 3.256 40 5 IGBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCCC1=O)c1ccc(Cl)cc1 ZINC000408686292 556616036 /nfs/dbraw/zinc/61/60/36/556616036.db2.gz RIQQCVCMTJQSLJ-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408687793 556616866 /nfs/dbraw/zinc/61/68/66/556616866.db2.gz VDBCSNDTDMLGPK-UXHICEINSA-N 0 0 447.447 3.176 40 5 IGBBRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409126910 556631120 /nfs/dbraw/zinc/63/11/20/556631120.db2.gz BUFWHLXBKBCPNH-UHFFFAOYSA-N 0 0 441.469 3.391 40 5 IGBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000033776616 556633240 /nfs/dbraw/zinc/63/32/40/556633240.db2.gz MKRSRFKDXQNKFK-LJQANCHMSA-N 0 0 432.473 3.361 40 5 IGBBRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408998600 556913534 /nfs/dbraw/zinc/91/35/34/556913534.db2.gz MPCWLEYKACOSCZ-LJQANCHMSA-N 0 0 439.424 3.159 40 5 IGBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409025601 556925862 /nfs/dbraw/zinc/92/58/62/556925862.db2.gz UIKBILMHKLDEKK-UHFFFAOYSA-N 0 0 441.465 3.437 40 5 IGBBRN COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000205819272 557098342 /nfs/dbraw/zinc/09/83/42/557098342.db2.gz NXBKXBNPFCJOHH-LICLKQGHSA-N 0 0 428.422 3.383 40 5 IGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000021143604 557136438 /nfs/dbraw/zinc/13/64/38/557136438.db2.gz UOWOMHYTVPNNFL-KRWDZBQOSA-N 0 0 429.498 3.376 40 5 IGBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000220407502 557143826 /nfs/dbraw/zinc/14/38/26/557143826.db2.gz WBBOSWOTMIZQEB-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000101169176 557257466 /nfs/dbraw/zinc/25/74/66/557257466.db2.gz RRLRTYLZAZPELC-PRHHBONVSA-N 0 0 449.500 3.318 40 5 IGBBRN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@@H]21 ZINC000101444969 557285323 /nfs/dbraw/zinc/28/53/23/557285323.db2.gz IHGXQWDGNSOYBF-KJJMTIBFSA-N 0 0 445.475 3.463 40 5 IGBBRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100177652 557346088 /nfs/dbraw/zinc/34/60/88/557346088.db2.gz POQDZIIEHKXSAI-NSHDSACASA-N 0 0 432.349 3.035 40 5 IGBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 ZINC000408529821 557413346 /nfs/dbraw/zinc/41/33/46/557413346.db2.gz JMOPXRRTYODNRQ-NVMNQCDNSA-N 0 0 438.465 3.330 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408646620 557425093 /nfs/dbraw/zinc/42/50/93/557425093.db2.gz QCSIKPJXKUQDNT-UHFFFAOYSA-N 0 0 449.847 3.466 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269928 557429165 /nfs/dbraw/zinc/42/91/65/557429165.db2.gz MGRYJSHPJOXEJC-UHFFFAOYSA-N 0 0 445.457 3.239 40 5 IGBBRN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000103459244 557437435 /nfs/dbraw/zinc/43/74/35/557437435.db2.gz SYYZSHSUUWGNRU-DQIAKDEWSA-N 0 0 445.475 3.461 40 5 IGBBRN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000005722360 557458652 /nfs/dbraw/zinc/45/86/52/557458652.db2.gz DQILQAFCZDCXKQ-XUZZJYLKSA-N 0 0 448.431 3.418 40 5 IGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224875329 557660973 /nfs/dbraw/zinc/66/09/73/557660973.db2.gz DZHPSBNJMWGXOW-HNNXBMFYSA-N 0 0 447.463 3.065 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000222365815 568638263 /nfs/dbraw/zinc/63/82/63/568638263.db2.gz NQXZMBIBEPCDBE-UHFFFAOYSA-N 0 0 437.493 3.029 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222543469 568652077 /nfs/dbraw/zinc/65/20/77/568652077.db2.gz AVDSDRUZJZQDPB-YOEHRIQHSA-N 0 0 435.502 3.025 40 5 IGBBRN CC[C@H](C(=O)NCCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540868 568652087 /nfs/dbraw/zinc/65/20/87/568652087.db2.gz ZMSSVIHYAMSORQ-LJQANCHMSA-N 0 0 433.530 3.197 40 5 IGBBRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544153 568652295 /nfs/dbraw/zinc/65/22/95/568652295.db2.gz UIJVAULKRWJRCD-QGZVFWFLSA-N 0 0 435.502 3.404 40 5 IGBBRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547839 568652649 /nfs/dbraw/zinc/65/26/49/568652649.db2.gz TWUXFKSDQZNOHL-KRWDZBQOSA-N 0 0 441.550 3.377 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547674 568652751 /nfs/dbraw/zinc/65/27/51/568652751.db2.gz CFIHRGJJOXAYPD-HNNXBMFYSA-N 0 0 443.428 3.065 40 5 IGBBRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222883430 568736516 /nfs/dbraw/zinc/73/65/16/568736516.db2.gz WRHJGVZYUXRWCP-OAHLLOKOSA-N 0 0 427.482 3.219 40 5 IGBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222924931 568739859 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QIJYSCNLHZUXGN-FQEVSTJZSA-N 0 0 437.525 3.051 40 5 IGBBRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000017095897 569172384 /nfs/dbraw/zinc/17/23/84/569172384.db2.gz RWIPWINRTWJHIL-UHFFFAOYSA-N 0 0 428.514 3.483 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224937136 569193935 /nfs/dbraw/zinc/19/39/35/569193935.db2.gz RAFIZEBPNOWIKI-UHFFFAOYSA-N 0 0 431.942 3.491 40 5 IGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225005546 569212397 /nfs/dbraw/zinc/21/23/97/569212397.db2.gz BUUVPAKNBOZMQR-DLBZAZTESA-N 0 0 443.500 3.314 40 5 IGBBRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225085036 569215611 /nfs/dbraw/zinc/21/56/11/569215611.db2.gz CYGRXRMYXREAKZ-UHFFFAOYSA-N 0 0 430.841 3.454 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010331470 569223290 /nfs/dbraw/zinc/22/32/90/569223290.db2.gz VSZNANIFGSWJHV-UHFFFAOYSA-N 0 0 435.502 3.306 40 5 IGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(C)(C)C)C2=O)o1 ZINC000107757812 569251216 /nfs/dbraw/zinc/25/12/16/569251216.db2.gz KDGYOGYNPLYYJG-UVTDQMKNSA-N 0 0 443.412 3.245 40 5 IGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225472137 569303594 /nfs/dbraw/zinc/30/35/94/569303594.db2.gz PRXSBVJTCNGLGV-CYBMUJFWSA-N 0 0 434.290 3.063 40 5 IGBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260504196 569306885 /nfs/dbraw/zinc/30/68/85/569306885.db2.gz FASDCXDHPXCZBQ-AUUYWEPGSA-N 0 0 435.502 3.025 40 5 IGBBRN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cnnc3)CC2)cc1 ZINC000070461858 569312720 /nfs/dbraw/zinc/31/27/20/569312720.db2.gz OAEMJDXVBHJCMJ-UHFFFAOYSA-N 0 0 434.500 3.435 40 5 IGBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nn12 ZINC000019629567 569324123 /nfs/dbraw/zinc/32/41/23/569324123.db2.gz RYLCZVKNKFLTTR-UHFFFAOYSA-N 0 0 439.482 3.196 40 5 IGBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930327 569332035 /nfs/dbraw/zinc/33/20/35/569332035.db2.gz KGVIAHOHIGTQEX-UHFFFAOYSA-N 0 0 441.893 3.215 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000226498680 569423618 /nfs/dbraw/zinc/42/36/18/569423618.db2.gz PZIQMTLYSMCNCR-XLAORIBOSA-N 0 0 445.388 3.205 40 5 IGBBRN C[C@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000008424582 569464050 /nfs/dbraw/zinc/46/40/50/569464050.db2.gz QLBMSDRPDWYIAK-HZUJVAHNSA-N 0 0 435.480 3.497 40 5 IGBBRN Cc1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cccc1[N+](=O)[O-] ZINC000038860271 569469317 /nfs/dbraw/zinc/46/93/17/569469317.db2.gz GJNHBNDOKYAGOH-IBGZPJMESA-N 0 0 447.513 3.366 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038859789 569469343 /nfs/dbraw/zinc/46/93/43/569469343.db2.gz FTUYWSULNXHAEB-IBGZPJMESA-N 0 0 447.513 3.366 40 5 IGBBRN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2 ZINC000008738889 569472826 /nfs/dbraw/zinc/47/28/26/569472826.db2.gz UZYQQRHVDXDQNW-DZKIICNBSA-N 0 0 439.474 3.140 40 5 IGBBRN COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c31)O[C@H]1OC=C[C@@H]21 ZINC000225420356 291357396 /nfs/dbraw/zinc/35/73/96/291357396.db2.gz PWDXABLHFDFFEB-WBLQJCTDSA-N 0 0 426.421 3.201 40 5 biogenic,in-vitro IGBBRN CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002962634 132259586 /nfs/dbraw/zinc/25/95/86/132259586.db2.gz FECBXBOAEJTKAZ-HLIPFELVSA-N 0 0 431.445 3.458 40 5 IGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000022429815 526703230 /nfs/dbraw/zinc/70/32/30/526703230.db2.gz JGXQUUWAMBSGOC-UHFFFAOYSA-N 0 0 443.456 3.246 40 5 IGBBRN Cn1c2cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408530295 555727011 /nfs/dbraw/zinc/72/70/11/555727011.db2.gz KBJLXWLYOVLXTA-WQRHYEAKSA-N 0 0 438.465 3.064 40 5 IGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000408672582 556614287 /nfs/dbraw/zinc/61/42/87/556614287.db2.gz NZQRWOUQCRBDDH-UHFFFAOYSA-N 0 0 442.424 3.341 40 5 IGBBRN COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409310708 556636626 /nfs/dbraw/zinc/63/66/26/556636626.db2.gz CMKQTRNBPJVYHT-UHFFFAOYSA-N 0 0 449.529 3.269 40 5 IGBBRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000220341184 557117001 /nfs/dbraw/zinc/11/70/01/557117001.db2.gz MRPPWYJGDOUDEV-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000220391522 557135611 /nfs/dbraw/zinc/13/56/11/557135611.db2.gz DEQWJWOYYFHFRL-IRXDYDNUSA-N 0 0 433.530 3.195 40 5 IGBBRN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402208 557143493 /nfs/dbraw/zinc/14/34/93/557143493.db2.gz IACHTOGLTDRVRR-LLVKDONJSA-N 0 0 431.392 3.407 40 5 IGBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000218271641 557186552 /nfs/dbraw/zinc/18/65/52/557186552.db2.gz NYMKEERSJGUPPY-UHFFFAOYSA-N 0 0 448.284 3.315 40 5 IGBBRN Cc1c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220034996 557277828 /nfs/dbraw/zinc/27/78/28/557277828.db2.gz ROMGKNACVCNKJI-MRXNPFEDSA-N 0 0 447.513 3.088 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000101534006 557290809 /nfs/dbraw/zinc/29/08/09/557290809.db2.gz PZIQMTLYSMCNCR-BDXSIMOUSA-N 0 0 445.388 3.205 40 5 IGBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000014608306 557344448 /nfs/dbraw/zinc/34/44/48/557344448.db2.gz KLROOCYYFHNGLS-OAHLLOKOSA-N 0 0 441.827 3.347 40 5 IGBBRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000014608305 557344907 /nfs/dbraw/zinc/34/49/07/557344907.db2.gz KLROOCYYFHNGLS-HNNXBMFYSA-N 0 0 441.827 3.347 40 5 IGBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408526828 557412941 /nfs/dbraw/zinc/41/29/41/557412941.db2.gz CNQROGNKSFOYRB-IUXPMGMMSA-N 0 0 442.428 3.161 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000408587419 557420578 /nfs/dbraw/zinc/42/05/78/557420578.db2.gz BUWUTTZYOMEKGX-GFCCVEGCSA-N 0 0 441.893 3.261 40 5 IGBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000408639423 557423949 /nfs/dbraw/zinc/42/39/49/557423949.db2.gz WQYWPXAEBFGEBR-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408641628 557424410 /nfs/dbraw/zinc/42/44/10/557424410.db2.gz CVZGUUOEZMMUMD-PMACEKPBSA-N 0 0 449.463 3.319 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408647540 557425335 /nfs/dbraw/zinc/42/53/35/557425335.db2.gz JKQANYLMJMRLDO-YSGRDPCXSA-N 0 0 449.463 3.399 40 5 IGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Br)cc1 ZINC000408659097 557425777 /nfs/dbraw/zinc/42/57/77/557425777.db2.gz VNQNIMYRXHGZMG-ZDUSSCGKSA-N 0 0 447.241 3.136 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000408659122 557425798 /nfs/dbraw/zinc/42/57/98/557425798.db2.gz VPXPEIYVFITSMZ-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000014273397 557433035 /nfs/dbraw/zinc/43/30/35/557433035.db2.gz AZDIJOCNWTZSPV-UHFFFAOYSA-N 0 0 446.891 3.324 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223764325 557510390 /nfs/dbraw/zinc/51/03/90/557510390.db2.gz QTNRLWRYMPTDJP-CQSZACIVSA-N 0 0 449.891 3.189 40 5 IGBBRN Cc1ccc2nc3nc(NC[C@H]4CCCO4)c(C(=O)NCc4ccccc4)cc3c(=O)n2c1 ZINC000020051725 557514509 /nfs/dbraw/zinc/51/45/09/557514509.db2.gz BLMLYRZFMJTLIR-GOSISDBHSA-N 0 0 443.507 3.072 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222369101 568638444 /nfs/dbraw/zinc/63/84/44/568638444.db2.gz XMKNXTBMTYNGTR-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527158 568650492 /nfs/dbraw/zinc/65/04/92/568650492.db2.gz DENHAEXLQZNACL-FQEVSTJZSA-N 0 0 433.530 3.197 40 5 IGBBRN CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222526752 568650507 /nfs/dbraw/zinc/65/05/07/568650507.db2.gz JEULDYBXIRTQQQ-LJQANCHMSA-N 0 0 437.493 3.028 40 5 IGBBRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544313 568652438 /nfs/dbraw/zinc/65/24/38/568652438.db2.gz ARYJUEKDFBVSHJ-MRXNPFEDSA-N 0 0 435.502 3.404 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222570149 568653244 /nfs/dbraw/zinc/65/32/44/568653244.db2.gz GOPJUTCPPNSNAW-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN COC1(OC)OC(c2ccc([N+](=O)[O-])cc2)=C(c2ccc([N+](=O)[O-])cc2)OC1(OC)OC ZINC000001585184 568876028 /nfs/dbraw/zinc/87/60/28/568876028.db2.gz UEHYSKJLBPDCBS-UHFFFAOYSA-N 0 0 448.384 3.269 40 5 IGBBRN O=C(NC(=S)Nc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017101346 569173644 /nfs/dbraw/zinc/17/36/44/569173644.db2.gz IRUMRNXHRALJAA-UHFFFAOYSA-N 0 0 437.481 3.106 40 5 IGBBRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224772678 569186300 /nfs/dbraw/zinc/18/63/00/569186300.db2.gz GGGZIHYMIGEDFL-UHFFFAOYSA-N 0 0 432.376 3.290 40 5 IGBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000224790838 569187117 /nfs/dbraw/zinc/18/71/17/569187117.db2.gz KXCZRHZVCORHPE-SFHVURJKSA-N 0 0 449.529 3.254 40 5 IGBBRN Cc1c(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224861427 569190241 /nfs/dbraw/zinc/19/02/41/569190241.db2.gz XXSQPCGEIVFHOT-MRXNPFEDSA-N 0 0 433.530 3.369 40 5 IGBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)c1 ZINC000012173194 569224926 /nfs/dbraw/zinc/22/49/26/569224926.db2.gz KFBCLPMZDDUAFK-UHFFFAOYSA-N 0 0 446.441 3.401 40 5 IGBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC ZINC000107610460 569250558 /nfs/dbraw/zinc/25/05/58/569250558.db2.gz VRNKTUFQDZBWDX-UHFFFAOYSA-N 0 0 428.182 3.469 40 5 IGBBRN O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000065090383 569292810 /nfs/dbraw/zinc/29/28/10/569292810.db2.gz XBDPBZUTVSJIRX-CQSZACIVSA-N 0 0 441.271 3.385 40 5 IGBBRN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)n1 ZINC000009059359 569293270 /nfs/dbraw/zinc/29/32/70/569293270.db2.gz STXXYWSPAXHCOZ-UHFFFAOYSA-N 0 0 445.530 3.153 40 5 IGBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009063801 569293274 /nfs/dbraw/zinc/29/32/74/569293274.db2.gz KFBLEUINZLLLAK-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)n1 ZINC000009234283 569294730 /nfs/dbraw/zinc/29/47/30/569294730.db2.gz ARQCTSGZTDGSCV-BUVFEPMLSA-N 0 0 428.489 3.328 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000010325304 569299623 /nfs/dbraw/zinc/29/96/23/569299623.db2.gz KXBPPAPVHASVEP-UHFFFAOYSA-N 0 0 446.312 3.292 40 5 IGBBRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000261363974 569315764 /nfs/dbraw/zinc/31/57/64/569315764.db2.gz IVMMFVUWQHUOFB-FQEVSTJZSA-O 0 0 438.489 3.460 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000218437913 569457751 /nfs/dbraw/zinc/45/77/51/569457751.db2.gz ICLNAUOMUDDHMP-FQEVSTJZSA-N 0 0 439.449 3.190 40 5 IGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503314 569461635 /nfs/dbraw/zinc/46/16/35/569461635.db2.gz UJFBUFVFZRRQHV-ISQHLFTMSA-N 0 0 441.399 3.380 40 5 IGBBRN O=C1C[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N2N=CNC2=N1 ZINC000038202798 569462348 /nfs/dbraw/zinc/46/23/48/569462348.db2.gz FDVXHPJLOKPFPZ-HNNXBMFYSA-N 0 0 444.245 3.112 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000016692595 521185138 /nfs/dbraw/zinc/18/51/38/521185138.db2.gz JEUNMEUJMCEEHK-UHFFFAOYSA-N 0 0 441.893 3.215 40 5 IGBBRN CS(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000022347956 525155014 /nfs/dbraw/zinc/15/50/14/525155014.db2.gz RJVBQZCRNFCEQK-UHFFFAOYSA-N 0 0 433.486 3.321 40 5 IGBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)NCc1ccco1 ZINC000012492185 527076346 /nfs/dbraw/zinc/07/63/46/527076346.db2.gz JBWBGIHMLVGZRD-QGZVFWFLSA-N 0 0 443.485 3.034 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409137907 556631046 /nfs/dbraw/zinc/63/10/46/556631046.db2.gz XDTKVHUOJQUZPT-UHFFFAOYSA-N 0 0 428.430 3.338 40 5 IGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1[N+](=O)[O-] ZINC000409137316 556631115 /nfs/dbraw/zinc/63/11/15/556631115.db2.gz XAELLFFEABXUSV-UHFFFAOYSA-N 0 0 428.430 3.338 40 5 IGBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409153027 556631310 /nfs/dbraw/zinc/63/13/10/556631310.db2.gz KPDFQDBBCDGCOR-LICLKQGHSA-N 0 0 443.437 3.287 40 5 IGBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409355854 556638149 /nfs/dbraw/zinc/63/81/49/556638149.db2.gz DYBHAPGHNSDQHD-IDUWFGFVSA-N 0 0 441.421 3.307 40 5 IGBBRN O=c1c2cc3c(ccn(-c4nc(C5CCCCC5)n[nH]4)c3=O)nc2ccn1C[C@@H]1CCCO1 ZINC000040399033 556641473 /nfs/dbraw/zinc/64/14/73/556641473.db2.gz RROBWMVWEDYJDS-INIZCTEOSA-N 0 0 446.511 3.045 40 5 IGBBRN COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000864528 556723608 /nfs/dbraw/zinc/72/36/08/556723608.db2.gz RSLSNBDBJLVBAK-GOSISDBHSA-N 0 0 440.499 3.057 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033920127 556731396 /nfs/dbraw/zinc/73/13/96/556731396.db2.gz YAOJLVKSVMJFBW-GJPOJAMWSA-N 0 0 449.500 3.033 40 5 IGBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)C(=O)N1Cc1ccccc1 ZINC000013779174 556731685 /nfs/dbraw/zinc/73/16/85/556731685.db2.gz GZEQEFZTLJYHLO-VSKRKVRLSA-N 0 0 445.431 3.347 40 5 IGBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409003573 556916976 /nfs/dbraw/zinc/91/69/76/556916976.db2.gz SVHPPRWJMRAIAM-UHFFFAOYSA-N 0 0 432.432 3.269 40 5 IGBBRN Cc1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000409319150 557061279 /nfs/dbraw/zinc/06/12/79/557061279.db2.gz BANXWUGZSWCUEB-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN O=C(c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O)N1CCCCC1 ZINC000043379619 557067996 /nfs/dbraw/zinc/06/79/96/557067996.db2.gz XQGJLHAKPQGERB-UHFFFAOYSA-N 0 0 426.341 3.249 40 5 IGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC000205738741 557086377 /nfs/dbraw/zinc/08/63/77/557086377.db2.gz XUCMCVVYRWZMOX-CXUHLZMHSA-N 0 0 432.410 3.463 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O ZINC000220387272 557134182 /nfs/dbraw/zinc/13/41/82/557134182.db2.gz NRBLTLOMNQXPOP-HNNXBMFYSA-N 0 0 443.591 3.240 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O ZINC000220389002 557134586 /nfs/dbraw/zinc/13/45/86/557134586.db2.gz YBHNEEZGVUQZNU-CYBMUJFWSA-N 0 0 425.894 3.028 40 5 IGBBRN C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419175 557149818 /nfs/dbraw/zinc/14/98/18/557149818.db2.gz RPUMWYQFWGFIHT-KBXCAEBGSA-N 0 0 447.513 3.168 40 5 IGBBRN CCCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc([N+](=O)[O-])cc3)N2N1 ZINC000588225022 557151713 /nfs/dbraw/zinc/15/17/13/557151713.db2.gz HZPDRXCAGCCAJJ-FQEVSTJZSA-N 0 0 437.525 3.051 40 5 IGBBRN CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000220422038 557154424 /nfs/dbraw/zinc/15/44/24/557154424.db2.gz GHXYOVIHQLJSSH-LIRRHRJNSA-N 0 0 435.502 3.025 40 5 IGBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000220421976 557154435 /nfs/dbraw/zinc/15/44/35/557154435.db2.gz GHXYOVIHQLJSSH-IFXJQAMLSA-N 0 0 435.502 3.025 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000101533996 557290706 /nfs/dbraw/zinc/29/07/06/557290706.db2.gz PZIQMTLYSMCNCR-MHORFTMASA-N 0 0 445.388 3.205 40 5 IGBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102699627 557364250 /nfs/dbraw/zinc/36/42/50/557364250.db2.gz QKJYOWDIFZIZCD-CEXWTWQISA-N 0 0 426.860 3.092 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000408556641 557416770 /nfs/dbraw/zinc/41/67/70/557416770.db2.gz IWTVMNANANUZGW-INIZCTEOSA-N 0 0 447.513 3.341 40 5 IGBBRN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CN(C)CC2 ZINC000408574756 557418985 /nfs/dbraw/zinc/41/89/85/557418985.db2.gz KXDULFVWTCLYTO-UHFFFAOYSA-N 0 0 435.527 3.303 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000408588231 557420227 /nfs/dbraw/zinc/42/02/27/557420227.db2.gz CZXBBYRXDZICDX-LBPRGKRZSA-N 0 0 441.893 3.261 40 5 IGBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(NC(C)=O)cc3)n2)c([N+](=O)[O-])c1 ZINC000408637701 557423650 /nfs/dbraw/zinc/42/36/50/557423650.db2.gz NEZXYCALZSRMHW-UHFFFAOYSA-N 0 0 442.457 3.078 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408641625 557424424 /nfs/dbraw/zinc/42/44/24/557424424.db2.gz CVZGUUOEZMMUMD-BGYRXZFFSA-N 0 0 449.463 3.319 40 5 IGBBRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000408647110 557425109 /nfs/dbraw/zinc/42/51/09/557425109.db2.gz SEAGKPQXRZFGBX-UHFFFAOYSA-N 0 0 443.456 3.457 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000408650692 557425566 /nfs/dbraw/zinc/42/55/66/557425566.db2.gz MRHBMEJLTLYAHF-JSGCOSHPSA-N 0 0 446.843 3.424 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408660619 557426112 /nfs/dbraw/zinc/42/61/12/557426112.db2.gz WPXUOCRRRDSUKQ-CDHQVMDDSA-N 0 0 447.447 3.175 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-] ZINC000408665421 557426306 /nfs/dbraw/zinc/42/63/06/557426306.db2.gz FEQZPFIXXOHMID-AWEZNQCLSA-N 0 0 445.859 3.400 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000408663752 557427731 /nfs/dbraw/zinc/42/77/31/557427731.db2.gz NGTCMTHLUMQNBH-UHFFFAOYSA-N 0 0 449.847 3.466 40 5 IGBBRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000103528364 557438363 /nfs/dbraw/zinc/43/83/63/557438363.db2.gz NGRVVTWGWQTRJM-VNTMZGSJSA-N 0 0 446.463 3.089 40 5 IGBBRN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000005722363 557458700 /nfs/dbraw/zinc/45/87/00/557458700.db2.gz DQILQAFCZDCXKQ-URXFXBBRSA-N 0 0 448.431 3.418 40 5 IGBBRN Cn1c(=O)nc2n(-c3ccc(N4CCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497873 557826304 /nfs/dbraw/zinc/82/63/04/557826304.db2.gz QILHNYFEAWAYSV-UHFFFAOYSA-N 0 0 431.452 3.088 40 5 IGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260796082 557856449 /nfs/dbraw/zinc/85/64/49/557856449.db2.gz PBJWKLDYLQKHSA-KDOFPFPSSA-N 0 0 435.502 3.025 40 5 IGBBRN O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015913533 563018309 /nfs/dbraw/zinc/01/83/09/563018309.db2.gz UIVZNIJPYCPGNP-UHFFFAOYSA-N 0 0 435.263 3.268 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCCSC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000222362764 568638244 /nfs/dbraw/zinc/63/82/44/568638244.db2.gz SCLRHBCSYVCHEU-UHFFFAOYSA-N 0 0 443.591 3.323 40 5 IGBBRN COc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222367045 568638247 /nfs/dbraw/zinc/63/82/47/568638247.db2.gz JSWITHCPDCXTMC-OAHLLOKOSA-N 0 0 435.502 3.027 40 5 IGBBRN C[C@H](CCc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222365030 568638357 /nfs/dbraw/zinc/63/83/57/568638357.db2.gz DJIWEBFSRNYAAZ-QGZVFWFLSA-N 0 0 433.530 3.279 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222369020 568638454 /nfs/dbraw/zinc/63/84/54/568638454.db2.gz OJUGXBZPJAOVHI-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CCOc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222372826 568640440 /nfs/dbraw/zinc/64/04/40/568640440.db2.gz GBWJMHDGNGKWIG-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222545879 568652318 /nfs/dbraw/zinc/65/23/18/568652318.db2.gz DUIIIFQLYMKQMW-QGZVFWFLSA-N 0 0 435.502 3.404 40 5 IGBBRN CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547181 568652426 /nfs/dbraw/zinc/65/24/26/568652426.db2.gz BVJXTNRBPSEGCP-KRWDZBQOSA-N 0 0 439.534 3.155 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222668460 568656484 /nfs/dbraw/zinc/65/64/84/568656484.db2.gz HTKWINXBNWWZHT-MRXNPFEDSA-N 0 0 443.500 3.314 40 5 IGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222853171 568735550 /nfs/dbraw/zinc/73/55/50/568735550.db2.gz JJTXOAVEQSHSBZ-FQEVSTJZSA-N 0 0 427.501 3.478 40 5 IGBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000218274242 568741429 /nfs/dbraw/zinc/74/14/29/568741429.db2.gz VKHLUKFXDSWQCP-NSHDSACASA-N 0 0 427.866 3.050 40 5 IGBBRN O=c1oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)cc2s1 ZINC000015304658 568755062 /nfs/dbraw/zinc/75/50/62/568755062.db2.gz GYLHPBKPIDGLJT-UHFFFAOYSA-N 0 0 432.229 3.293 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(C)=O ZINC000006074251 568820564 /nfs/dbraw/zinc/82/05/64/568820564.db2.gz QTFSOELXTZLLLV-UHFFFAOYSA-N 0 0 427.442 3.253 40 5 IGBBRN COc1ccccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016228375 568874057 /nfs/dbraw/zinc/87/40/57/568874057.db2.gz WIHXDNZRCHDUEI-UHFFFAOYSA-N 0 0 434.905 3.094 40 5 IGBBRN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000138527279 568989497 /nfs/dbraw/zinc/98/94/97/568989497.db2.gz DIOGHQQYOCEPGX-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000138786135 569113714 /nfs/dbraw/zinc/11/37/14/569113714.db2.gz HCELNWGIEVWGPL-UHFFFAOYSA-N 0 0 446.803 3.253 40 5 IGBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000016754408 569161234 /nfs/dbraw/zinc/16/12/34/569161234.db2.gz CQZDQWVIAIYQAW-YBEGLDIGSA-N 0 0 440.437 3.060 40 5 IGBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017095346 569172250 /nfs/dbraw/zinc/17/22/50/569172250.db2.gz AHPGLPHKRXMEAJ-UHFFFAOYSA-N 0 0 427.398 3.394 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000010331607 569223272 /nfs/dbraw/zinc/22/32/72/569223272.db2.gz FXMBUVHKLSIYTJ-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)o1 ZINC000108997343 569253409 /nfs/dbraw/zinc/25/34/09/569253409.db2.gz NLCDVCIIYHHMIK-GDNBJRDFSA-N 0 0 437.364 3.327 40 5 IGBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000008831726 569290903 /nfs/dbraw/zinc/29/09/03/569290903.db2.gz VROXSOKBEQHCPP-UHFFFAOYSA-N 0 0 447.948 3.435 40 5 IGBBRN CCCCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2C1=O ZINC000009302753 569295289 /nfs/dbraw/zinc/29/52/89/569295289.db2.gz IHGXQWDGNSOYBF-CBPXPLCBSA-N 0 0 445.475 3.463 40 5 IGBBRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009423113 569296152 /nfs/dbraw/zinc/29/61/52/569296152.db2.gz SYYZSHSUUWGNRU-ODIIQCJHSA-N 0 0 445.475 3.461 40 5 IGBBRN CCOc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1[N+](=O)[O-] ZINC000010119864 569299332 /nfs/dbraw/zinc/29/93/32/569299332.db2.gz SSAJKEZTYBFFGA-UHFFFAOYSA-N 0 0 440.441 3.421 40 5 IGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000010449066 569300149 /nfs/dbraw/zinc/30/01/49/569300149.db2.gz XXDXFIDPMYUPSJ-UHFFFAOYSA-N 0 0 437.477 3.379 40 5 IGBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362551 569315653 /nfs/dbraw/zinc/31/56/53/569315653.db2.gz KTIVZOHEZXEVEC-SFHVURJKSA-O 0 0 444.880 3.334 40 5 IGBBRN COc1cc(CN(C(=O)c2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O ZINC000019633701 569324181 /nfs/dbraw/zinc/32/41/81/569324181.db2.gz TUSJCYMCDKCIJU-UHFFFAOYSA-N 0 0 441.484 3.443 40 5 IGBBRN COc1cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC ZINC000019647151 569324894 /nfs/dbraw/zinc/32/48/94/569324894.db2.gz ZMQJHYCJLAJRDG-UHFFFAOYSA-N 0 0 448.482 3.357 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860917 569330580 /nfs/dbraw/zinc/33/05/80/569330580.db2.gz JLAFURIJKKIESI-HNNXBMFYSA-N 0 0 437.905 3.429 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225532014 569403766 /nfs/dbraw/zinc/40/37/66/569403766.db2.gz QSWKXRJYGYDOCR-QGZVFWFLSA-N 0 0 443.500 3.233 40 5 IGBBRN CC(C)(Cc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225642344 569406290 /nfs/dbraw/zinc/40/62/90/569406290.db2.gz IFTLEAUNRMDKJQ-UHFFFAOYSA-N 0 0 433.530 3.279 40 5 IGBBRN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000008424584 569464093 /nfs/dbraw/zinc/46/40/93/569464093.db2.gz QLBMSDRPDWYIAK-QLVMHMETSA-N 0 0 435.480 3.497 40 5 IGBBRN C[C@@H]1CCC[C@H](NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000245232201 569500258 /nfs/dbraw/zinc/50/02/58/569500258.db2.gz QLBMSDRPDWYIAK-KUDFPVQQSA-N 0 0 435.480 3.497 40 5 IGBBRN COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000057315847 569584490 /nfs/dbraw/zinc/58/44/90/569584490.db2.gz RFPMDDPXZUSUIG-UHFFFAOYSA-N 0 0 444.494 3.862 40 5 IGBBRN COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c31)O[C@H]1OC=C[C@H]21 ZINC000225420286 291357442 /nfs/dbraw/zinc/35/74/42/291357442.db2.gz PWDXABLHFDFFEB-WBVVSNMSSA-N 0 0 426.421 3.201 40 5 biogenic,in-vitro IGBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000014831766 519528687 /nfs/dbraw/zinc/52/86/87/519528687.db2.gz WITMCOAYEJMLML-UHFFFAOYSA-N 0 0 431.430 3.224 40 5 IGBBRN CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000022400403 520384172 /nfs/dbraw/zinc/38/41/72/520384172.db2.gz HOGBTHCWXWISPC-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000022230196 523796341 /nfs/dbraw/zinc/79/63/41/523796341.db2.gz ULKRSNBBWUXYBY-GOSISDBHSA-N 0 0 433.486 3.012 40 5 IGBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408687211 556088151 /nfs/dbraw/zinc/08/81/51/556088151.db2.gz TWVCWZIBZPCVAY-MJGOQNOKSA-N 0 0 447.447 3.176 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1cccs1 ZINC000408653466 556613121 /nfs/dbraw/zinc/61/31/21/556613121.db2.gz PWFSJZQRNUVKKR-IYBDPMFKSA-N 0 0 441.465 3.072 40 5 IGBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408656961 556613948 /nfs/dbraw/zinc/61/39/48/556613948.db2.gz SZLWYEBBULCHEB-LBPRGKRZSA-N 0 0 429.816 3.026 40 5 IGBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408677319 556614892 /nfs/dbraw/zinc/61/48/92/556614892.db2.gz BQIFAIIKAXAXCT-XPGWFJOJSA-N 0 0 449.463 3.256 40 5 IGBBRN Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408671656 556615124 /nfs/dbraw/zinc/61/51/24/556615124.db2.gz SYBRLYFQPLOBDO-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCC1 ZINC000408696664 556615726 /nfs/dbraw/zinc/61/57/26/556615726.db2.gz DFIMHABEPIVVHB-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408683214 556616645 /nfs/dbraw/zinc/61/66/45/556616645.db2.gz KUQFWCNUPWLHIJ-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 ZINC000040398891 556640832 /nfs/dbraw/zinc/64/08/32/556640832.db2.gz UCCZDXGLNNDEDE-UHFFFAOYSA-N 0 0 436.884 3.183 40 5 IGBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581629 556699407 /nfs/dbraw/zinc/69/94/07/556699407.db2.gz CCUWMPZQTVGXLC-UHFFFAOYSA-N 0 0 433.486 3.420 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714640 556714866 /nfs/dbraw/zinc/71/48/66/556714866.db2.gz XJOJPTSEAHZPKE-MRXNPFEDSA-N 0 0 441.893 3.440 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000220044867 556833617 /nfs/dbraw/zinc/83/36/17/556833617.db2.gz PFNHXAPIFXNXEF-UHFFFAOYSA-N 0 0 447.391 3.027 40 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CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408576924 557420142 /nfs/dbraw/zinc/42/01/42/557420142.db2.gz YWHHGGZLWLBBRC-UHFFFAOYSA-N 0 0 447.875 3.396 40 5 IGBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n[nH]2)c1 ZINC000408583592 557420212 /nfs/dbraw/zinc/42/02/12/557420212.db2.gz VQJIJKIUZXLCLQ-UHFFFAOYSA-N 0 0 445.457 3.137 40 5 IGBBRN COc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)c([N+](=O)[O-])c1 ZINC000014152637 557423628 /nfs/dbraw/zinc/42/36/28/557423628.db2.gz PGGQTJFRCOBNOH-UHFFFAOYSA-N 0 0 433.421 3.170 40 5 IGBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408647538 557425330 /nfs/dbraw/zinc/42/53/30/557425330.db2.gz JKQANYLMJMRLDO-XPGWFJOJSA-N 0 0 449.463 3.399 40 5 IGBBRN CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000103560797 557438990 /nfs/dbraw/zinc/43/89/90/557438990.db2.gz IOOAFZCJSSRLCE-HAGHYFMRSA-N 0 0 446.463 3.089 40 5 IGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000033363877 557807338 /nfs/dbraw/zinc/80/73/38/557807338.db2.gz RIAKVBFDHGQCRH-CXUHLZMHSA-N 0 0 432.410 3.463 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222366966 568638322 /nfs/dbraw/zinc/63/83/22/568638322.db2.gz BBENDTICDCPWEI-HXUWFJFHSA-N 0 0 431.514 3.335 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O ZINC000222370500 568640132 /nfs/dbraw/zinc/64/01/32/568640132.db2.gz FOJPBDDWHJMADT-UHFFFAOYSA-N 0 0 439.534 3.156 40 5 IGBBRN CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522985 568650304 /nfs/dbraw/zinc/65/03/04/568650304.db2.gz RIZUJBQVWSDPKQ-KRWDZBQOSA-N 0 0 425.894 3.109 40 5 IGBBRN CC[C@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521500 568650314 /nfs/dbraw/zinc/65/03/14/568650314.db2.gz VQUZWKGZMWRYNE-GOSISDBHSA-N 0 0 443.591 3.322 40 5 IGBBRN CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538104 568651748 /nfs/dbraw/zinc/65/17/48/568651748.db2.gz RBJFYEUEFJZVSS-QGZVFWFLSA-N 0 0 439.921 3.418 40 5 IGBBRN COc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000222583193 568652717 /nfs/dbraw/zinc/65/27/17/568652717.db2.gz OYQXYSXAKDRQPY-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000223390960 568823471 /nfs/dbraw/zinc/82/34/71/568823471.db2.gz AHDMUCOOHBXSIA-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000223434942 568828311 /nfs/dbraw/zinc/82/83/11/568828311.db2.gz FPTLBRUIUYJDPH-KRWDZBQOSA-N 0 0 433.530 3.472 40 5 IGBBRN COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000015787680 568837915 /nfs/dbraw/zinc/83/79/15/568837915.db2.gz WBTKIIYIKLQAJK-UHFFFAOYSA-N 0 0 431.317 3.261 40 5 IGBBRN 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COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224785494 569186900 /nfs/dbraw/zinc/18/69/00/569186900.db2.gz GUGYSEQFDVJHMT-UHFFFAOYSA-N 0 0 432.376 3.290 40 5 IGBBRN CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225020677 569213591 /nfs/dbraw/zinc/21/35/91/569213591.db2.gz FFKNTXWRFRRNMX-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225030456 569213719 /nfs/dbraw/zinc/21/37/19/569213719.db2.gz ILKYWIZTKYBNPV-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000009974801 569220654 /nfs/dbraw/zinc/22/06/54/569220654.db2.gz ITWJQVOFTILPOL-INIZCTEOSA-N 0 0 447.513 3.260 40 5 IGBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000008831725 569290891 /nfs/dbraw/zinc/29/08/91/569290891.db2.gz PHLZLDRESZQTKW-UHFFFAOYSA-N 0 0 447.948 3.435 40 5 IGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225350530 569291967 /nfs/dbraw/zinc/29/19/67/569291967.db2.gz SBUTVKHMULZPHI-DLBZAZTESA-N 0 0 427.501 3.478 40 5 IGBBRN O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902560 569292075 /nfs/dbraw/zinc/29/20/75/569292075.db2.gz VVLYXXCKUPMLIT-UHFFFAOYSA-N 0 0 436.262 3.211 40 5 IGBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000009209885 569294355 /nfs/dbraw/zinc/29/43/55/569294355.db2.gz IKDDKLDLWXZRND-NJYVYQBISA-N 0 0 430.420 3.349 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009331624 569295713 /nfs/dbraw/zinc/29/57/13/569295713.db2.gz FSIMUIITLVUBGL-GJPOJAMWSA-N 0 0 449.500 3.033 40 5 IGBBRN CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113876810 569296960 /nfs/dbraw/zinc/29/69/60/569296960.db2.gz SNHFKBKYNHPHBC-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000260805366 569311494 /nfs/dbraw/zinc/31/14/94/569311494.db2.gz BRSNDEWCDAWDEE-CVEARBPZSA-N 0 0 433.530 3.498 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O ZINC000260934978 569312485 /nfs/dbraw/zinc/31/24/85/569312485.db2.gz NUPVCKAURURHRM-MRXNPFEDSA-N 0 0 449.529 3.172 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000260912669 569312532 /nfs/dbraw/zinc/31/25/32/569312532.db2.gz BKZRTXDHBDRWOX-CVEARBPZSA-N 0 0 445.541 3.424 40 5 IGBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171569 569316332 /nfs/dbraw/zinc/31/63/32/569316332.db2.gz QKJYOWDIFZIZCD-FHWLQOOXSA-N 0 0 426.860 3.092 40 5 IGBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(I)cc1 ZINC000019642674 569324903 /nfs/dbraw/zinc/32/49/03/569324903.db2.gz SUJADBRDPDQARJ-UHFFFAOYSA-N 0 0 445.213 3.465 40 5 IGBBRN 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CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504061 132347691 /nfs/dbraw/zinc/34/76/91/132347691.db2.gz GRMSWWIWWMWREX-FQEVSTJZSA-N 0 0 439.495 3.387 40 5 IGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611658 526968310 /nfs/dbraw/zinc/96/83/10/526968310.db2.gz OHWCWGGCWTWQKY-UHFFFAOYSA-N 0 0 436.262 3.211 40 5 IGBBRN CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000009330731 555556719 /nfs/dbraw/zinc/55/67/19/555556719.db2.gz NGRVVTWGWQTRJM-HAGHYFMRSA-N 0 0 446.463 3.089 40 5 IGBBRN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035341386 556080033 /nfs/dbraw/zinc/08/00/33/556080033.db2.gz OAFDSEQAAXXVDS-UHFFFAOYSA-N 0 0 443.460 3.250 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010327326 556331879 /nfs/dbraw/zinc/33/18/79/556331879.db2.gz TZAKATFNAHBWOD-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 ZINC000032640700 556413026 /nfs/dbraw/zinc/41/30/26/556413026.db2.gz PTZQTMVSGQGCII-WBVHZDCISA-N 0 0 439.465 3.148 40 5 IGBBRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000408652325 556613211 /nfs/dbraw/zinc/61/32/11/556613211.db2.gz CGPAMMQWHZEWSR-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408678615 556614518 /nfs/dbraw/zinc/61/45/18/556614518.db2.gz TZPNUKXEGJFRPL-UHFFFAOYSA-N 0 0 441.465 3.334 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2cccc(NC(C)=O)c2)n1 ZINC000408675314 556614803 /nfs/dbraw/zinc/61/48/03/556614803.db2.gz VKGJMLDOXPWWOZ-UHFFFAOYSA-N 0 0 442.457 3.078 40 5 IGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408682155 556616311 /nfs/dbraw/zinc/61/63/11/556616311.db2.gz JBYZDOARCHERDW-MFMILTCTSA-N 0 0 447.447 3.032 40 5 IGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408686237 556617185 /nfs/dbraw/zinc/61/71/85/556617185.db2.gz RBFNOBLAFGHARB-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN CN(C)C(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408980960 556627173 /nfs/dbraw/zinc/62/71/73/556627173.db2.gz GUWCQTHBFQLVBU-UHFFFAOYSA-N 0 0 442.478 3.185 40 5 IGBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 ZINC000409346396 556637647 /nfs/dbraw/zinc/63/76/47/556637647.db2.gz LMLGEQIKXNNPSK-IDUWFGFVSA-N 0 0 441.421 3.307 40 5 IGBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013779008 556731777 /nfs/dbraw/zinc/73/17/77/556731777.db2.gz JRUIPQJNOSVULG-ACRUOGEOSA-N 0 0 430.420 3.037 40 5 IGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260504202 556840931 /nfs/dbraw/zinc/84/09/31/556840931.db2.gz FASDCXDHPXCZBQ-KUHUBIRLSA-N 0 0 435.502 3.025 40 5 IGBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409101406 556955823 /nfs/dbraw/zinc/95/58/23/556955823.db2.gz BPVBOYVYXYVJQW-DEDYPNTBSA-N 0 0 445.435 3.225 40 5 IGBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409207024 556996474 /nfs/dbraw/zinc/99/64/74/556996474.db2.gz YXDIBOBWGHLBLA-RQZCQDPDSA-N 0 0 441.421 3.041 40 5 IGBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] ZINC000409365533 557083982 /nfs/dbraw/zinc/08/39/82/557083982.db2.gz YCARYVKVDXDIQO-RQZCQDPDSA-N 0 0 443.393 3.431 40 5 IGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1[N+](=O)[O-] ZINC000014009674 557277310 /nfs/dbraw/zinc/27/73/10/557277310.db2.gz MQLDPFMURUDTQY-UHFFFAOYSA-N 0 0 425.220 3.392 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220651130 557361222 /nfs/dbraw/zinc/36/12/22/557361222.db2.gz JKQLSXAITLPYMX-KRWDZBQOSA-N 0 0 441.893 3.440 40 5 IGBBRN Cc1c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408597664 557420487 /nfs/dbraw/zinc/42/04/87/557420487.db2.gz VRTPTABIWKTVKB-OAHLLOKOSA-N 0 0 435.502 3.244 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000408603756 557421097 /nfs/dbraw/zinc/42/10/97/557421097.db2.gz GYGOBQCDXMSGGN-UHFFFAOYSA-N 0 0 447.513 3.341 40 5 IGBBRN Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000408592936 557421688 /nfs/dbraw/zinc/42/16/88/557421688.db2.gz KXLHXFNERMHSLZ-FQEVSTJZSA-N 0 0 439.493 3.432 40 5 IGBBRN CC(C)COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408638340 557423892 /nfs/dbraw/zinc/42/38/92/557423892.db2.gz BXAXWROTPZAJKU-INIZCTEOSA-N 0 0 425.441 3.399 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408647440 557425037 /nfs/dbraw/zinc/42/50/37/557425037.db2.gz SXEQVINASRVTSV-AWEZNQCLSA-N 0 0 445.859 3.400 40 5 IGBBRN 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ZINC000224773630 569186270 /nfs/dbraw/zinc/18/62/70/569186270.db2.gz BPZUCUZCHJJTEP-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224819093 569187688 /nfs/dbraw/zinc/18/76/88/569187688.db2.gz NDSYSFWEQHWSHU-UHFFFAOYSA-N 0 0 439.921 3.153 40 5 IGBBRN COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225030689 569213716 /nfs/dbraw/zinc/21/37/16/569213716.db2.gz MLHJJFGOJUZPAY-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225041401 569215023 /nfs/dbraw/zinc/21/50/23/569215023.db2.gz QZCIDGSGVBJVRX-UHFFFAOYSA-N 0 0 434.470 3.285 40 5 IGBBRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000009974802 569220668 /nfs/dbraw/zinc/22/06/68/569220668.db2.gz ITWJQVOFTILPOL-MRXNPFEDSA-N 0 0 447.513 3.260 40 5 IGBBRN O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010042196 569220933 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YAFPXFUVTUZBCH-RTBURBONSA-N 0 0 435.436 3.010 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000408689457 556616880 /nfs/dbraw/zinc/61/68/80/556616880.db2.gz YETJUYQNCAMDGQ-IRXDYDNUSA-N 0 0 435.436 3.010 40 5 IGBBRN O=C1C[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N2NC=NC2=N1 ZINC000409372053 556638788 /nfs/dbraw/zinc/63/87/88/556638788.db2.gz XWSCZFFHGHZNKC-HNNXBMFYSA-N 0 0 444.245 3.112 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220024889 556644960 /nfs/dbraw/zinc/64/49/60/556644960.db2.gz SMZZZZMWRLQXSK-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN O=C(CN1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000004908263 556825779 /nfs/dbraw/zinc/82/57/79/556825779.db2.gz FFTZODLAHOORCU-AYHJJNSGSA-N 0 0 429.521 3.161 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000220383611 557133908 /nfs/dbraw/zinc/13/39/08/557133908.db2.gz WIMFQZUMAPJXMD-CYBMUJFWSA-N 0 0 425.894 3.028 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ZINC000409165019 556982080 /nfs/dbraw/zinc/98/20/80/556982080.db2.gz RBSGMBRYJYEMAJ-UHFFFAOYSA-N 0 0 427.486 3.362 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385067 557134275 /nfs/dbraw/zinc/13/42/75/557134275.db2.gz PJQMLLGEGMGCLI-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220393548 557135477 /nfs/dbraw/zinc/13/54/77/557135477.db2.gz QFNJWMTXPZIISI-KRWDZBQOSA-N 0 0 433.530 3.115 40 5 IGBBRN C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400615 557143475 /nfs/dbraw/zinc/14/34/75/557143475.db2.gz UAUXBZQXABLGJH-LLVKDONJSA-N 0 0 442.291 3.151 40 5 IGBBRN CCCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc([N+](=O)[O-])cc3)N2N1 ZINC000588225023 557151842 /nfs/dbraw/zinc/15/18/42/557151842.db2.gz HZPDRXCAGCCAJJ-HXUWFJFHSA-N 0 0 437.525 3.051 40 5 IGBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000220421845 557154419 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BUDNJYAMMBODID-UHFFFAOYSA-N 0 0 441.484 3.116 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 ZINC000408572576 557419752 /nfs/dbraw/zinc/41/97/52/557419752.db2.gz KKNYINCJGMFMHK-UHFFFAOYSA-N 0 0 441.484 3.116 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000408638036 557423675 /nfs/dbraw/zinc/42/36/75/557423675.db2.gz BOAYXABZWZICDI-NSHDSACASA-N 0 0 434.246 3.358 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408659036 557425517 /nfs/dbraw/zinc/42/55/17/557425517.db2.gz VKSIEMSBNDMKLD-VMRPVKRXSA-N 0 0 447.447 3.032 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408666402 557427194 /nfs/dbraw/zinc/42/71/94/557427194.db2.gz ZJGCTNPCFHFCDN-UHFFFAOYSA-N 0 0 444.400 3.102 40 5 IGBBRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001343772 562921269 /nfs/dbraw/zinc/92/12/69/562921269.db2.gz 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CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222546566 568652419 /nfs/dbraw/zinc/65/24/19/568652419.db2.gz AVDSDRUZJZQDPB-PBHICJAKSA-N 0 0 435.502 3.025 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222941314 568754250 /nfs/dbraw/zinc/75/42/50/568754250.db2.gz XHJMWDNHLGGVAU-INIZCTEOSA-N 0 0 445.541 3.425 40 5 IGBBRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223374983 568820142 /nfs/dbraw/zinc/82/01/42/568820142.db2.gz YAJZVZKOVREQFS-HXUWFJFHSA-N 0 0 445.541 3.390 40 5 IGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989841 568861868 /nfs/dbraw/zinc/86/18/68/568861868.db2.gz GUDLRFKUINIPKG-WNRNVDISSA-N 0 0 438.827 3.326 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223596793 568875765 /nfs/dbraw/zinc/87/57/65/568875765.db2.gz ZPEWUAPMMSAHIW-VQTJNVASSA-N 0 0 440.481 3.223 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224010307 568880232 /nfs/dbraw/zinc/88/02/32/568880232.db2.gz QUTZTQIUILWISD-MRXNPFEDSA-N 0 0 445.541 3.390 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224010352 568880330 /nfs/dbraw/zinc/88/03/30/568880330.db2.gz QUTZTQIUILWISD-INIZCTEOSA-N 0 0 445.541 3.390 40 5 IGBBRN O=c1/c(=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2nc3cc(Br)cnc3n12 ZINC000016384295 568885773 /nfs/dbraw/zinc/88/57/73/568885773.db2.gz IKKZHOSNYBGYSO-QCDXTXTGSA-N 0 0 437.662 3.176 40 5 IGBBRN CCOc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016693174 568938048 /nfs/dbraw/zinc/93/80/48/568938048.db2.gz IWUNXHRVUZZKKR-UHFFFAOYSA-N 0 0 448.932 3.484 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000138690445 569103466 /nfs/dbraw/zinc/10/34/66/569103466.db2.gz IQYOFYBIMSHRJO-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 ZINC000139020895 569137576 /nfs/dbraw/zinc/13/75/76/569137576.db2.gz QILPADPNIORGEW-UHFFFAOYSA-N 0 0 433.392 3.033 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F ZINC000017098340 569173679 /nfs/dbraw/zinc/17/36/79/569173679.db2.gz DQAABTANJAREIA-UHFFFAOYSA-N 0 0 433.339 3.295 40 5 IGBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000224736283 569184326 /nfs/dbraw/zinc/18/43/26/569184326.db2.gz DXYFYQUCENVOCA-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224888627 569190403 /nfs/dbraw/zinc/19/04/03/569190403.db2.gz JNFSDNSJRQRWJA-LLVKDONJSA-N 0 0 447.391 3.287 40 5 IGBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224970568 569204765 /nfs/dbraw/zinc/20/47/65/569204765.db2.gz HEJBBMVYTDMYSQ-UHFFFAOYSA-N 0 0 449.268 3.279 40 5 IGBBRN CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000011533200 569224693 /nfs/dbraw/zinc/22/46/93/569224693.db2.gz FNARJAJMCAMXMV-MRXNPFEDSA-N 0 0 425.441 3.000 40 5 IGBBRN CCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108036140 569252232 /nfs/dbraw/zinc/25/22/32/569252232.db2.gz IXVWBBGYMVSGPC-UHFFFAOYSA-N 0 0 433.578 3.298 40 5 IGBBRN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064670 569293461 /nfs/dbraw/zinc/29/34/61/569293461.db2.gz ADHKMBMIPATRIF-UHFFFAOYSA-N 0 0 442.497 3.499 40 5 IGBBRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113886028 569297061 /nfs/dbraw/zinc/29/70/61/569297061.db2.gz QELFUESCPZOFEJ-UHFFFAOYSA-N 0 0 432.376 3.372 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000068846193 569304054 /nfs/dbraw/zinc/30/40/54/569304054.db2.gz UCLAUUXOTSAUMF-UHFFFAOYSA-N 0 0 439.877 3.294 40 5 IGBBRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461843 569312741 /nfs/dbraw/zinc/31/27/41/569312741.db2.gz OFZYYPGCFHEDJK-UHFFFAOYSA-N 0 0 447.282 3.445 40 5 IGBBRN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000019645372 569324878 /nfs/dbraw/zinc/32/48/78/569324878.db2.gz YNBRFVDCEVLVQF-UHFFFAOYSA-N 0 0 446.891 3.174 40 5 IGBBRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000019867779 569330571 /nfs/dbraw/zinc/33/05/71/569330571.db2.gz OYCFXJZZETZVKQ-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868383 569331180 /nfs/dbraw/zinc/33/11/80/569331180.db2.gz KCEJVQYCVYMAGZ-UHFFFAOYSA-N 0 0 437.905 3.429 40 5 IGBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503317 569461629 /nfs/dbraw/zinc/46/16/29/569461629.db2.gz JZZUZHSAIMFSJS-YQORSWRPSA-N 0 0 441.399 3.380 40 5 IGBBRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000038261876 569462520 /nfs/dbraw/zinc/46/25/20/569462520.db2.gz ZOFVZKSRUXTOEA-OAHLLOKOSA-N 0 0 429.820 3.012 40 5 IGBBRN O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 ZINC000039964162 569482093 /nfs/dbraw/zinc/48/20/93/569482093.db2.gz PDYPXHGQEQTRFN-HXUWFJFHSA-N 0 0 442.435 3.456 40 5 IGBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000040717780 569513809 /nfs/dbraw/zinc/51/38/09/569513809.db2.gz LQWYLEAUNYPQEL-UHFFFAOYSA-N 0 0 440.500 3.307 40 5 IGBBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000016691507 132357040 /nfs/dbraw/zinc/35/70/40/132357040.db2.gz ADZPPXKOWKUCHZ-UHFFFAOYSA-N 0 0 448.932 3.484 40 5 IGBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000020215612 522619512 /nfs/dbraw/zinc/61/95/12/522619512.db2.gz MBYMAYOEBQYWBA-UHFFFAOYSA-N 0 0 437.840 3.073 40 5 IGBBRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035291377 523129896 /nfs/dbraw/zinc/12/98/96/523129896.db2.gz NWWOKFIDQAQIBY-FQEVSTJZSA-N 0 0 425.468 3.042 40 5 IGBBRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016401484 527460042 /nfs/dbraw/zinc/46/00/42/527460042.db2.gz CCBNDUNJVQEGED-UHFFFAOYSA-N 0 0 434.905 3.207 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2F)o1 ZINC000408583884 555931199 /nfs/dbraw/zinc/93/11/99/555931199.db2.gz YGAGMRGRFQNLOL-UHFFFAOYSA-N 0 0 434.405 3.435 40 5 IGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640715 556413293 /nfs/dbraw/zinc/41/32/93/556413293.db2.gz KCNITADKTJAPER-IEBWSBKVSA-N 0 0 431.539 3.487 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000408656572 556613701 /nfs/dbraw/zinc/61/37/01/556613701.db2.gz FQZCKASDPAYNNM-UHFFFAOYSA-N 0 0 425.319 3.200 40 5 IGBBRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408671654 556615121 /nfs/dbraw/zinc/61/51/21/556615121.db2.gz SYBRLYFQPLOBDO-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408687213 556616663 /nfs/dbraw/zinc/61/66/63/556616663.db2.gz TWVCWZIBZPCVAY-PKOBYXMFSA-N 0 0 447.447 3.176 40 5 IGBBRN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731889 556618926 /nfs/dbraw/zinc/61/89/26/556618926.db2.gz QLQKZVZSSADAFQ-FQEVSTJZSA-N 0 0 441.440 3.373 40 5 IGBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1-c1nc[nH]n1 ZINC000040398740 556640609 /nfs/dbraw/zinc/64/06/09/556640609.db2.gz JNDBBMDGPYTUDH-UHFFFAOYSA-N 0 0 425.235 3.115 40 5 IGBBRN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001343770 556779404 /nfs/dbraw/zinc/77/94/04/556779404.db2.gz UKFNLQKVAPSNCR-QGZVFWFLSA-N 0 0 429.408 3.327 40 5 IGBBRN CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409188457 556988609 /nfs/dbraw/zinc/98/86/09/556988609.db2.gz HSPJRUIFSIMGRU-OQLLNIDSSA-N 0 0 432.230 3.459 40 5 IGBBRN CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@@H]21 ZINC000101477218 557290440 /nfs/dbraw/zinc/29/04/40/557290440.db2.gz SYYZSHSUUWGNRU-PAXKHVFLSA-N 0 0 445.475 3.461 40 5 IGBBRN CC(C)COC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC(C)C)C(=O)C[C@@]1(C)O ZINC000102694143 557364173 /nfs/dbraw/zinc/36/41/73/557364173.db2.gz YAOJLVKSVMJFBW-ISHFTEKXSA-N 0 0 449.500 3.033 40 5 IGBBRN O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102871093 557395627 /nfs/dbraw/zinc/39/56/27/557395627.db2.gz BQUOUFFAFFJOTE-BDTNDASRSA-N 0 0 428.448 3.215 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408557194 557416479 /nfs/dbraw/zinc/41/64/79/557416479.db2.gz LZSIOOPCQXWQMC-HNNXBMFYSA-N 0 0 433.486 3.033 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000408556645 557416564 /nfs/dbraw/zinc/41/65/64/557416564.db2.gz IWTVMNANANUZGW-MRXNPFEDSA-N 0 0 447.513 3.341 40 5 IGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F ZINC000408563229 557418378 /nfs/dbraw/zinc/41/83/78/557418378.db2.gz JVZFFTUBWFUJCQ-KRWDZBQOSA-N 0 0 427.310 3.000 40 5 IGBBRN Cc1c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408597663 557421849 /nfs/dbraw/zinc/42/18/49/557421849.db2.gz VRTPTABIWKTVKB-HNNXBMFYSA-N 0 0 435.502 3.244 40 5 IGBBRN CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408638342 557423851 /nfs/dbraw/zinc/42/38/51/557423851.db2.gz BXAXWROTPZAJKU-MRXNPFEDSA-N 0 0 425.441 3.399 40 5 IGBBRN CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408638082 557423932 /nfs/dbraw/zinc/42/39/32/557423932.db2.gz BCQJJAILHXHCDU-MRXNPFEDSA-N 0 0 425.441 3.462 40 5 IGBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408641837 557424529 /nfs/dbraw/zinc/42/45/29/557424529.db2.gz DCGWNMTWMBJZFH-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408650643 557425581 /nfs/dbraw/zinc/42/55/81/557425581.db2.gz MMQOPFPOPWMMIT-XPGWFJOJSA-N 0 0 449.463 3.256 40 5 IGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408667056 557427905 /nfs/dbraw/zinc/42/79/05/557427905.db2.gz AYWJHUXTMNFBPO-UHFFFAOYSA-N 0 0 445.384 3.047 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 ZINC000408664619 557427917 /nfs/dbraw/zinc/42/79/17/557427917.db2.gz RRMOOFBSUQYJNF-UHFFFAOYSA-N 0 0 435.820 3.157 40 5 IGBBRN COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000014269098 557428256 /nfs/dbraw/zinc/42/82/56/557428256.db2.gz VBRSTHRVAPPROZ-UHFFFAOYSA-N 0 0 448.932 3.402 40 5 IGBBRN COC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000106751330 557532189 /nfs/dbraw/zinc/53/21/89/557532189.db2.gz DMTUMONYXOAJHR-YVLHZVERSA-N 0 0 428.422 3.383 40 5 IGBBRN CCOCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225872816 557787762 /nfs/dbraw/zinc/78/77/62/557787762.db2.gz UCTHUWPUODWDQP-UHFFFAOYSA-N 0 0 429.473 3.400 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222376144 568639519 /nfs/dbraw/zinc/63/95/19/568639519.db2.gz QFSJZVSLVIFQDF-UHFFFAOYSA-N 0 0 427.429 3.366 40 5 IGBBRN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538198 568651712 /nfs/dbraw/zinc/65/17/12/568651712.db2.gz XPIJMVAAIQEDNA-SFHVURJKSA-N 0 0 433.486 3.289 40 5 IGBBRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544730 568652283 /nfs/dbraw/zinc/65/22/83/568652283.db2.gz DVCYQJZPSDZRRP-QGZVFWFLSA-N 0 0 435.502 3.349 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222545197 568652415 /nfs/dbraw/zinc/65/24/15/568652415.db2.gz CXCAMSUJNGXORU-HNNXBMFYSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223144618 568780359 /nfs/dbraw/zinc/78/03/59/568780359.db2.gz WNBRSMCWECODNI-QGZVFWFLSA-N 0 0 449.891 3.189 40 5 IGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223188868 568784104 /nfs/dbraw/zinc/78/41/04/568784104.db2.gz ACCHXPZESASFQK-KRWDZBQOSA-N 0 0 449.891 3.189 40 5 IGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C ZINC000006194261 568876285 /nfs/dbraw/zinc/87/62/85/568876285.db2.gz QTKCALAOWFWWKW-UHFFFAOYSA-N 0 0 437.485 3.161 40 5 IGBBRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)[O-])cc1OC ZINC000263618888 568936626 /nfs/dbraw/zinc/93/66/26/568936626.db2.gz VZAJSNWFIOPTKS-CLOONOSVSA-O 0 0 430.521 3.482 40 5 IGBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000224790790 569187054 /nfs/dbraw/zinc/18/70/54/569187054.db2.gz KXCZRHZVCORHPE-GOSISDBHSA-N 0 0 449.529 3.254 40 5 IGBBRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225007853 569212496 /nfs/dbraw/zinc/21/24/96/569212496.db2.gz BFQZOPGFRFEJSM-QGZVFWFLSA-N 0 0 441.893 3.440 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225092537 569215961 /nfs/dbraw/zinc/21/59/61/569215961.db2.gz NNQQVFHIMGITTA-UHFFFAOYSA-N 0 0 436.486 3.449 40 5 IGBBRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000009974806 569220676 /nfs/dbraw/zinc/22/06/76/569220676.db2.gz QUHUFSNKCSSYBO-MRXNPFEDSA-N 0 0 447.513 3.260 40 5 IGBBRN CC[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] ZINC000107757802 569251263 /nfs/dbraw/zinc/25/12/63/569251263.db2.gz CKOWCHZPYYFXIA-GQVHDAKQSA-N 0 0 443.412 3.245 40 5 IGBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c([N+](=O)[O-])c1 ZINC000013424047 569316125 /nfs/dbraw/zinc/31/61/25/569316125.db2.gz IFVKAPLFRYLUAZ-UHFFFAOYSA-N 0 0 444.429 3.038 40 5 IGBBRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000019643549 569324951 /nfs/dbraw/zinc/32/49/51/569324951.db2.gz CASDRJLTAFEFDS-UHFFFAOYSA-N 0 0 445.526 3.253 40 5 IGBBRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000019867873 569330569 /nfs/dbraw/zinc/33/05/69/569330569.db2.gz PUOYCZQOQXUHLU-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000019867668 569330655 /nfs/dbraw/zinc/33/06/55/569330655.db2.gz XYKIAMTVBZBXGE-UHFFFAOYSA-N 0 0 431.514 3.392 40 5 IGBBRN C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225700900 569407370 /nfs/dbraw/zinc/40/73/70/569407370.db2.gz SKFPMKFHUXPZJP-LBPRGKRZSA-N 0 0 445.419 3.085 40 5 IGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712478 556285143 /nfs/dbraw/zinc/28/51/43/556285143.db2.gz BSZMNCAFHWVCBW-MRXNPFEDSA-N 0 0 441.893 3.440 40 5 IGBBRN COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000010330797 556332130 /nfs/dbraw/zinc/33/21/30/556332130.db2.gz HNCBYWDXZYJLPV-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 ZINC000032640699 556412948 /nfs/dbraw/zinc/41/29/48/556412948.db2.gz PTZQTMVSGQGCII-NVXWUHKLSA-N 0 0 439.465 3.148 40 5 IGBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033776615 556633256 /nfs/dbraw/zinc/63/32/56/556633256.db2.gz MKRSRFKDXQNKFK-IBGZPJMESA-N 0 0 432.473 3.361 40 5 IGBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1[N+](=O)[O-] ZINC000409240235 556635747 /nfs/dbraw/zinc/63/57/47/556635747.db2.gz PCHJITJNSHMSAC-LZYBPNLTSA-N 0 0 431.401 3.418 40 5 IGBBRN O=C1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N2NC=NC2=N1 ZINC000409372061 556638726 /nfs/dbraw/zinc/63/87/26/556638726.db2.gz XWSCZFFHGHZNKC-OAHLLOKOSA-N 0 0 444.245 3.112 40 5 IGBBRN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2 ZINC000013553118 556697062 /nfs/dbraw/zinc/69/70/62/556697062.db2.gz UZYQQRHVDXDQNW-FMKPAKJESA-N 0 0 439.474 3.140 40 5 IGBBRN COc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000219829883 556937082 /nfs/dbraw/zinc/93/70/82/556937082.db2.gz HLGXYFYQUWAZTH-UHFFFAOYSA-N 0 0 432.820 3.344 40 5 IGBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 ZINC000409153000 556978586 /nfs/dbraw/zinc/97/85/86/556978586.db2.gz KNXPSVNABWAIRI-LICLKQGHSA-N 0 0 443.437 3.287 40 5 IGBBRN O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000409172743 556984209 /nfs/dbraw/zinc/98/42/09/556984209.db2.gz HVNJTPOFFLMEST-VAWYXSNFSA-N 0 0 427.438 3.318 40 5 IGBBRN COc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220175440 557000491 /nfs/dbraw/zinc/00/04/91/557000491.db2.gz RYMUSZKZABHDDI-NSHDSACASA-N 0 0 427.866 3.050 40 5 IGBBRN COc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220175502 557000716 /nfs/dbraw/zinc/00/07/16/557000716.db2.gz RYMUSZKZABHDDI-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN Cc1c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000409256789 557035077 /nfs/dbraw/zinc/03/50/77/557035077.db2.gz NEZOIQCRNRJRIC-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400399 557143488 /nfs/dbraw/zinc/14/34/88/557143488.db2.gz ONSYDBWCLPYFMD-NSHDSACASA-N 0 0 442.291 3.151 40 5 IGBBRN C[C@H](C(=O)Nc1ccccc1Br)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402543 557143499 /nfs/dbraw/zinc/14/34/99/557143499.db2.gz DAHBKEMWIPBUDT-LLVKDONJSA-N 0 0 442.291 3.151 40 5 IGBBRN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220412160 557149339 /nfs/dbraw/zinc/14/93/39/557149339.db2.gz GEAXWHJABTZEDA-LLVKDONJSA-N 0 0 431.392 3.407 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000260587994 557221945 /nfs/dbraw/zinc/22/19/45/557221945.db2.gz DEQWJWOYYFHFRL-SJORKVTESA-N 0 0 433.530 3.195 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101169170 557257432 /nfs/dbraw/zinc/25/74/32/557257432.db2.gz RRLRTYLZAZPELC-SCYDXJQRSA-N 0 0 449.500 3.318 40 5 IGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000014009689 557277148 /nfs/dbraw/zinc/27/71/48/557277148.db2.gz ZNPVTBCFUOJTEW-UHFFFAOYSA-N 0 0 425.220 3.392 40 5 IGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000004963707 557416547 /nfs/dbraw/zinc/41/65/47/557416547.db2.gz YZWWWWJLZBAYMQ-MFUUIURDSA-N 0 0 438.440 3.242 40 5 IGBBRN Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000408592937 557420835 /nfs/dbraw/zinc/42/08/35/557420835.db2.gz KXLHXFNERMHSLZ-HXUWFJFHSA-N 0 0 439.493 3.432 40 5 IGBBRN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 ZINC000408640625 557425533 /nfs/dbraw/zinc/42/55/33/557425533.db2.gz BAZRDQANWMMBKP-QAPCUYQASA-N 0 0 426.425 3.161 40 5 IGBBRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 ZINC000408640623 557425649 /nfs/dbraw/zinc/42/56/49/557425649.db2.gz BAZRDQANWMMBKP-CRAIPNDOSA-N 0 0 426.425 3.161 40 5 IGBBRN CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408660697 557426032 /nfs/dbraw/zinc/42/60/32/557426032.db2.gz BZJHEQULZLYHMW-UHFFFAOYSA-N 0 0 427.413 3.088 40 5 IGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408663576 557426282 /nfs/dbraw/zinc/42/62/82/557426282.db2.gz AIIWXYTUHGZCRJ-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000408652324 557428206 /nfs/dbraw/zinc/42/82/06/557428206.db2.gz CGPAMMQWHZEWSR-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN CC[C@@H](C)N1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000103459254 557437372 /nfs/dbraw/zinc/43/73/72/557437372.db2.gz SYYZSHSUUWGNRU-ADDUHUFJSA-N 0 0 445.475 3.461 40 5 IGBBRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)[O-])cc1OC ZINC000250861302 568635605 /nfs/dbraw/zinc/63/56/05/568635605.db2.gz VZAJSNWFIOPTKS-KBMIEXCESA-O 0 0 430.521 3.482 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(C)c1C)S(C)(=O)=O ZINC000222369756 568638525 /nfs/dbraw/zinc/63/85/25/568638525.db2.gz QCEXSQVKBIHSHS-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520468 568650294 /nfs/dbraw/zinc/65/02/94/568650294.db2.gz AVHDYXDCABUDPQ-INIZCTEOSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222525350 568650306 /nfs/dbraw/zinc/65/03/06/568650306.db2.gz CEPYYHRYDKRLBW-JXFKEZNVSA-N 0 0 433.530 3.277 40 5 IGBBRN CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534255 568651527 /nfs/dbraw/zinc/65/15/27/568651527.db2.gz VZHODMUAPIBYNE-QGZVFWFLSA-N 0 0 439.921 3.418 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222679218 568657037 /nfs/dbraw/zinc/65/70/37/568657037.db2.gz YIKKWKKGIIUANP-UHFFFAOYSA-N 0 0 427.429 3.366 40 5 IGBBRN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001219716 568737929 /nfs/dbraw/zinc/73/79/29/568737929.db2.gz KJUOOIWMFCZXRI-PMECCGAFSA-N 0 0 449.500 3.318 40 5 IGBBRN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000015277458 568754829 /nfs/dbraw/zinc/75/48/29/568754829.db2.gz IXMDFLZMCWGCKI-IBGZPJMESA-N 0 0 433.380 3.415 40 5 IGBBRN Cc1c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000223233749 568786257 /nfs/dbraw/zinc/78/62/57/568786257.db2.gz SYWYAJFEIIYERR-HNNXBMFYSA-N 0 0 431.514 3.035 40 5 IGBBRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000223478570 568839634 /nfs/dbraw/zinc/83/96/34/568839634.db2.gz TVFRAPDSTKEHBN-KRWDZBQOSA-N 0 0 433.530 3.472 40 5 IGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)cc1 ZINC000102920960 568890575 /nfs/dbraw/zinc/89/05/75/568890575.db2.gz GUELINWOKBIXSG-HPNDGRJYSA-N 0 0 444.491 3.456 40 5 IGBBRN COc1ccccc1[C@H](C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224331773 568920430 /nfs/dbraw/zinc/92/04/30/568920430.db2.gz CJPRFECIZJKDMT-INIZCTEOSA-N 0 0 449.529 3.335 40 5 IGBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000017094819 569172859 /nfs/dbraw/zinc/17/28/59/569172859.db2.gz FWQSCSXAJPARGE-UHFFFAOYSA-N 0 0 426.473 3.061 40 5 IGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224735946 569184327 /nfs/dbraw/zinc/18/43/27/569184327.db2.gz UOASQWQUSJGIND-KRWDZBQOSA-N 0 0 443.500 3.234 40 5 IGBBRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777430 569186332 /nfs/dbraw/zinc/18/63/32/569186332.db2.gz DHWLYFLLSGQUME-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1Cl ZINC000225119797 569217183 /nfs/dbraw/zinc/21/71/83/569217183.db2.gz HOCAHSWXDPAHJJ-UHFFFAOYSA-N 0 0 432.285 3.302 40 5 IGBBRN CC(C)CC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108070201 569252132 /nfs/dbraw/zinc/25/21/32/569252132.db2.gz GJZTXLVNAYFTRY-UHFFFAOYSA-N 0 0 433.578 3.154 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1C ZINC000108271674 569252919 /nfs/dbraw/zinc/25/29/19/569252919.db2.gz LZDRERUVJRFTPA-UHFFFAOYSA-N 0 0 447.513 3.260 40 5 IGBBRN COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225194033 569272571 /nfs/dbraw/zinc/27/25/71/569272571.db2.gz ZDGGWTVXIZRRQA-INIZCTEOSA-N 0 0 449.529 3.268 40 5 IGBBRN COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000008833872 569291039 /nfs/dbraw/zinc/29/10/39/569291039.db2.gz OPRVGGXZPDVPBX-QGZVFWFLSA-N 0 0 439.471 3.256 40 5 IGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000008918654 569292339 /nfs/dbraw/zinc/29/23/39/569292339.db2.gz DOFAJULQEYVWNM-HZDRLRHHSA-N 0 0 433.464 3.176 40 5 IGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225383991 569295967 /nfs/dbraw/zinc/29/59/67/569295967.db2.gz KVOAQLCQGSGAKR-SJORKVTESA-N 0 0 427.501 3.478 40 5 IGBBRN CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113875893 569296879 /nfs/dbraw/zinc/29/68/79/569296879.db2.gz YBPNKYUDOIHMDM-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000260912675 569312500 /nfs/dbraw/zinc/31/25/00/569312500.db2.gz BKZRTXDHBDRWOX-JKSUJKDBSA-N 0 0 445.541 3.424 40 5 IGBBRN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3[N+](=O)[O-])CC2)cc1 ZINC000070461904 569312811 /nfs/dbraw/zinc/31/28/11/569312811.db2.gz FIZHFUDXHWPHJB-UHFFFAOYSA-N 0 0 434.500 3.435 40 5 IGBBRN COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O ZINC000019633691 569324175 /nfs/dbraw/zinc/32/41/75/569324175.db2.gz MOFPQIHULMCMGG-UHFFFAOYSA-N 0 0 441.484 3.443 40 5 IGBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000019868504 569331114 /nfs/dbraw/zinc/33/11/14/569331114.db2.gz FOWPOPPXAGBNRB-UHFFFAOYSA-N 0 0 435.477 3.223 40 5 IGBBRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000019935382 569332120 /nfs/dbraw/zinc/33/21/20/569332120.db2.gz TUXHWOULCDWGJV-UHFFFAOYSA-N 0 0 439.877 3.050 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 ZINC000020051107 569332758 /nfs/dbraw/zinc/33/27/58/569332758.db2.gz BLJCTMSBMKIJQK-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC ZINC000225770493 569408296 /nfs/dbraw/zinc/40/82/96/569408296.db2.gz JZOAPYNKTUOLPP-UHFFFAOYSA-N 0 0 428.441 3.467 40 5 IGBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC ZINC000225770618 569408488 /nfs/dbraw/zinc/40/84/88/569408488.db2.gz VAWCFGMGZRTXDO-UHFFFAOYSA-N 0 0 428.441 3.467 40 5 IGBBRN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] ZINC000032125382 569460383 /nfs/dbraw/zinc/46/03/83/569460383.db2.gz QNPNGIKPKJXECI-UHFFFAOYSA-N 0 0 448.526 3.160 40 5 IGBBRN CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H](Nc2ccccn2)n2nnc3ccccc32)CC1 ZINC000059488696 569461573 /nfs/dbraw/zinc/46/15/73/569461573.db2.gz XFAKCGDCPMYTFC-QHCPKHFHSA-N 0 0 444.499 3.145 40 5 IGBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503319 569461617 /nfs/dbraw/zinc/46/16/17/569461617.db2.gz JZZUZHSAIMFSJS-CAZKKTPXSA-N 0 0 441.399 3.380 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000245226304 569499460 /nfs/dbraw/zinc/49/94/60/569499460.db2.gz PZIQMTLYSMCNCR-WNRNVDISSA-N 0 0 445.388 3.205 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000040385258 569500788 /nfs/dbraw/zinc/50/07/88/569500788.db2.gz OVINSEHYHYAFTD-CQSZACIVSA-N 0 0 442.819 3.037 40 5 IGBBRN COc1cc(OCC(=O)Nc2ccc(I)cc2)ccc1[N+](=O)[O-] ZINC000022259449 522892917 /nfs/dbraw/zinc/89/29/17/522892917.db2.gz HIBBPMJHLFABHE-UHFFFAOYSA-N 0 0 428.182 3.226 40 5 IGBBRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000032797743 556353877 /nfs/dbraw/zinc/35/38/77/556353877.db2.gz QNOXXLWJQRGWQP-UHFFFAOYSA-N 0 0 429.420 3.433 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O ZINC000408652941 556613169 /nfs/dbraw/zinc/61/31/69/556613169.db2.gz PGBUYHUXIQAXSK-HOCLYGCPSA-N 0 0 426.425 3.079 40 5 IGBBRN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409001302 556627783 /nfs/dbraw/zinc/62/77/83/556627783.db2.gz HPBSWEOGLVOKLP-MGPUTAFESA-N 0 0 448.497 3.022 40 5 IGBBRN CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409120886 556630790 /nfs/dbraw/zinc/63/07/90/556630790.db2.gz UJYDHBWTOCDNAG-UHFFFAOYSA-N 0 0 435.502 3.023 40 5 IGBBRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000409148105 556631593 /nfs/dbraw/zinc/63/15/93/556631593.db2.gz XFMCQNPMGDVFOR-UHFFFAOYSA-N 0 0 441.469 3.298 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000409175126 556632872 /nfs/dbraw/zinc/63/28/72/556632872.db2.gz QGUOVQJMEATPHA-CXUHLZMHSA-N 0 0 431.401 3.418 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000260587986 556685798 /nfs/dbraw/zinc/68/57/98/556685798.db2.gz DEQWJWOYYFHFRL-IAGOWNOFSA-N 0 0 433.530 3.195 40 5 IGBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccncc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000013786614 556731801 /nfs/dbraw/zinc/73/18/01/556731801.db2.gz IKDDKLDLWXZRND-HKBOAZHASA-N 0 0 430.420 3.349 40 5 IGBBRN O=C1NC(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1cccc(Cl)c1 ZINC000409105647 556958538 /nfs/dbraw/zinc/95/85/38/556958538.db2.gz JBVUHAJKFGBPIU-BOPFTXTBSA-N 0 0 428.832 3.182 40 5 IGBBRN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000208172509 557078654 /nfs/dbraw/zinc/07/86/54/557078654.db2.gz VJHJIWDANJGVFG-DLBZAZTESA-N 0 0 442.471 3.133 40 5 IGBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101161553 557257507 /nfs/dbraw/zinc/25/75/07/557257507.db2.gz GZEQEFZTLJYHLO-BDTNDASRSA-N 0 0 445.431 3.347 40 5 IGBBRN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@@H]21 ZINC000101477221 557290512 /nfs/dbraw/zinc/29/05/12/557290512.db2.gz SYYZSHSUUWGNRU-MWVRUIGXSA-N 0 0 445.475 3.461 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000101533991 557290803 /nfs/dbraw/zinc/29/08/03/557290803.db2.gz PZIQMTLYSMCNCR-FZDBZEDMSA-N 0 0 445.388 3.205 40 5 IGBBRN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000101861058 557303641 /nfs/dbraw/zinc/30/36/41/557303641.db2.gz KJUOOIWMFCZXRI-DDOIHHOZSA-N 0 0 449.500 3.318 40 5 IGBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014270414 557332371 /nfs/dbraw/zinc/33/23/71/557332371.db2.gz KPQKRAUUGSWCAH-UHFFFAOYSA-N 0 0 444.473 3.125 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220624688 557354595 /nfs/dbraw/zinc/35/45/95/557354595.db2.gz PRWLOLLNRKVUOQ-KRWDZBQOSA-N 0 0 441.893 3.440 40 5 IGBBRN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000033522464 557403557 /nfs/dbraw/zinc/40/35/57/557403557.db2.gz SNJZDLMWUSLSDV-UHFFFAOYSA-N 0 0 437.475 3.245 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408573841 557419552 /nfs/dbraw/zinc/41/95/52/557419552.db2.gz OSAQKGNPHARWSQ-UHFFFAOYSA-N 0 0 447.875 3.396 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000408644886 557425020 /nfs/dbraw/zinc/42/50/20/557425020.db2.gz TYRWZNQWIIJDEQ-NSHDSACASA-N 0 0 434.246 3.358 40 5 IGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408670548 557426352 /nfs/dbraw/zinc/42/63/52/557426352.db2.gz RCQQMUAGFOLEMW-AWEZNQCLSA-N 0 0 445.859 3.400 40 5 IGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225098269 557687731 /nfs/dbraw/zinc/68/77/31/557687731.db2.gz CVQFGZVSPXRRDA-IBGZPJMESA-N 0 0 443.500 3.316 40 5 IGBBRN Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1[N+](=O)[O-] ZINC000000924598 568637453 /nfs/dbraw/zinc/63/74/53/568637453.db2.gz KXXVGVVMMGVYSR-UHFFFAOYSA-N 0 0 437.485 3.161 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000222369265 568638504 /nfs/dbraw/zinc/63/85/04/568638504.db2.gz LIIZPJZHMHLQEJ-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000222375042 568640434 /nfs/dbraw/zinc/64/04/34/568640434.db2.gz ULIBGNNGVSVAMP-UHFFFAOYSA-N 0 0 427.429 3.366 40 5 IGBBRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222546618 568652362 /nfs/dbraw/zinc/65/23/62/568652362.db2.gz AVDSDRUZJZQDPB-RHSMWYFYSA-N 0 0 435.502 3.025 40 5 IGBBRN O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000015277460 568754825 /nfs/dbraw/zinc/75/48/25/568754825.db2.gz IXMDFLZMCWGCKI-LJQANCHMSA-N 0 0 433.380 3.415 40 5 IGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222988496 568774785 /nfs/dbraw/zinc/77/47/85/568774785.db2.gz OTRZPYGHGISMHT-KRWDZBQOSA-N 0 0 443.500 3.316 40 5 IGBBRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223235617 568786080 /nfs/dbraw/zinc/78/60/80/568786080.db2.gz HYLUACICFCGVAD-HUUCEWRRSA-N 0 0 431.514 3.115 40 5 IGBBRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223235681 568786152 /nfs/dbraw/zinc/78/61/52/568786152.db2.gz HYLUACICFCGVAD-LSDHHAIUSA-N 0 0 431.514 3.115 40 5 IGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223426337 568827654 /nfs/dbraw/zinc/82/76/54/568827654.db2.gz ZBJZDMUWJUQDNM-QGZVFWFLSA-N 0 0 427.501 3.480 40 5 IGBBRN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787626 568837979 /nfs/dbraw/zinc/83/79/79/568837979.db2.gz UJRWQULSGFGTHB-UHFFFAOYSA-N 0 0 431.317 3.018 40 5 IGBBRN COc1c(O)ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000016293011 568875572 /nfs/dbraw/zinc/87/55/72/568875572.db2.gz PDLMQUGXWUKTAC-INIZCTEOSA-N 0 0 428.470 3.049 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O ZINC000223701786 568876492 /nfs/dbraw/zinc/87/64/92/568876492.db2.gz NVPKQTDLVGHLNN-INIZCTEOSA-N 0 0 433.530 3.195 40 5 IGBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N(C(C)=O)N1C ZINC000016682596 568937460 /nfs/dbraw/zinc/93/74/60/568937460.db2.gz JSZGCMBCQSXHKT-IBGZPJMESA-N 0 0 445.863 3.339 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000138690311 569103430 /nfs/dbraw/zinc/10/34/30/569103430.db2.gz IQYOFYBIMSHRJO-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224752451 569185185 /nfs/dbraw/zinc/18/51/85/569185185.db2.gz FDANODVVJAJYOG-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225005963 569212335 /nfs/dbraw/zinc/21/23/35/569212335.db2.gz HPHOQFOSESVATL-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024825 569213722 /nfs/dbraw/zinc/21/37/22/569213722.db2.gz NVVCSDZHTJSZAM-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225060095 569215080 /nfs/dbraw/zinc/21/50/80/569215080.db2.gz MIXDERWIPSZSQL-UHFFFAOYSA-N 0 0 430.438 3.125 40 5 IGBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)o1 ZINC000107905059 569251665 /nfs/dbraw/zinc/25/16/65/569251665.db2.gz MQZIPAMGNIMIRY-FRKPEAEDSA-N 0 0 448.409 3.228 40 5 IGBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000009056366 569293091 /nfs/dbraw/zinc/29/30/91/569293091.db2.gz ZPPBLSSUVJKECH-YQORSWRPSA-N 0 0 441.399 3.380 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009069274 569293512 /nfs/dbraw/zinc/29/35/12/569293512.db2.gz SVQXZHLYWFJECZ-INIZCTEOSA-N 0 0 439.877 3.049 40 5 IGBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260503957 569306896 /nfs/dbraw/zinc/30/68/96/569306896.db2.gz AOAOEFAPJYTSRD-RDTXWAMCSA-N 0 0 437.493 3.464 40 5 IGBBRN CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260743644 569311123 /nfs/dbraw/zinc/31/11/23/569311123.db2.gz NYEUTFTXJVGSSD-KXBFYZLASA-N 0 0 449.529 3.334 40 5 IGBBRN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000013387808 569315325 /nfs/dbraw/zinc/31/53/25/569315325.db2.gz JWFRVFKQMGTLRM-KRWDZBQOSA-N 0 0 439.471 3.256 40 5 IGBBRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366155 569315982 /nfs/dbraw/zinc/31/59/82/569315982.db2.gz XQSYEEIVMRPFQW-HXUWFJFHSA-O 0 0 438.489 3.460 40 5 IGBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nn12 ZINC000019629571 569324143 /nfs/dbraw/zinc/32/41/43/569324143.db2.gz CSAKJGOXFIXBGZ-UHFFFAOYSA-N 0 0 439.482 3.196 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000225811237 569409049 /nfs/dbraw/zinc/40/90/49/569409049.db2.gz HEKNOBVMKBPUKJ-UHFFFAOYSA-N 0 0 447.513 3.268 40 5 IGBBRN Cc1c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] ZINC000038860285 569469327 /nfs/dbraw/zinc/46/93/27/569469327.db2.gz PMQWRZIYZWSEHW-KRWDZBQOSA-N 0 0 439.877 3.112 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038859804 569469330 /nfs/dbraw/zinc/46/93/30/569469330.db2.gz XSNFTXQIRQFUEK-KRWDZBQOSA-N 0 0 439.877 3.112 40 5 IGBBRN COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c31)O[C@@H]1OC=C[C@@H]21 ZINC000225420396 291357421 /nfs/dbraw/zinc/35/74/21/291357421.db2.gz PWDXABLHFDFFEB-KDGBHJTFSA-N 0 0 426.421 3.201 40 5 biogenic,in-vitro IGBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccncc3)CC2)cc1 ZINC000013561814 132349758 /nfs/dbraw/zinc/34/97/58/132349758.db2.gz QSOKONMDWMOWCF-NRFANRHFSA-N 0 0 434.504 3.003 40 5 IGBBRN COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000864527 522831213 /nfs/dbraw/zinc/83/12/13/522831213.db2.gz RSLSNBDBJLVBAK-SFHVURJKSA-N 0 0 440.499 3.057 40 5 IGBBRN C[C@@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 ZINC000245232199 524312669 /nfs/dbraw/zinc/31/26/69/524312669.db2.gz QLBMSDRPDWYIAK-CEQIKUNHSA-N 0 0 435.480 3.497 40 5 IGBBRN COc1ccc(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000012499967 524665044 /nfs/dbraw/zinc/66/50/44/524665044.db2.gz OQBBEBCPKQQQBP-UHFFFAOYSA-N 0 0 444.513 3.203 40 5 IGBBRN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000035323487 526821472 /nfs/dbraw/zinc/82/14/72/526821472.db2.gz UWQWAPGUQNXHOL-NWDGAFQWSA-N 0 0 437.283 3.121 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408667718 556056073 /nfs/dbraw/zinc/05/60/73/556056073.db2.gz KAPPYKPFWXNVQW-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc2ccccc21 ZINC000408671348 556061116 /nfs/dbraw/zinc/06/11/16/556061116.db2.gz XXRNOQLSBFBOMV-INIZCTEOSA-N 0 0 433.420 3.283 40 5 IGBBRN Cc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000013613669 556535259 /nfs/dbraw/zinc/53/52/59/556535259.db2.gz JLGXQBTVOZUPEF-UHFFFAOYSA-N 0 0 439.493 3.415 40 5 IGBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000408652520 556613196 /nfs/dbraw/zinc/61/31/96/556613196.db2.gz OXLIMSSFPDHXME-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000408673469 556615528 /nfs/dbraw/zinc/61/55/28/556615528.db2.gz SHHWVTXMPNRACD-UHFFFAOYSA-N 0 0 442.424 3.341 40 5 IGBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCC1 ZINC000408693526 556616091 /nfs/dbraw/zinc/61/60/91/556616091.db2.gz YOUJWCCMEWJOLF-UHFFFAOYSA-N 0 0 433.486 3.339 40 5 IGBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408687791 556616329 /nfs/dbraw/zinc/61/63/29/556616329.db2.gz VDBCSNDTDMLGPK-PMACEKPBSA-N 0 0 447.447 3.176 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408683861 556616638 /nfs/dbraw/zinc/61/66/38/556616638.db2.gz MITBQSCFGRMUDT-UHFFFAOYSA-N 0 0 446.803 3.253 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408703593 556617995 /nfs/dbraw/zinc/61/79/95/556617995.db2.gz UFDCTLSYTHDJJO-UHFFFAOYSA-N 0 0 439.877 3.294 40 5 IGBBRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731890 556618816 /nfs/dbraw/zinc/61/88/16/556618816.db2.gz QLQKZVZSSADAFQ-HXUWFJFHSA-N 0 0 441.440 3.373 40 5 IGBBRN COCCN1C(=O)S/C(=C/c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409203736 556634296 /nfs/dbraw/zinc/63/42/96/556634296.db2.gz XRUZBGDVPQQEKI-WJDWOHSUSA-N 0 0 431.426 3.473 40 5 IGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000409367778 556638577 /nfs/dbraw/zinc/63/85/77/556638577.db2.gz GFDVCQPUIJLBRA-NFJKTXFASA-N 0 0 440.411 3.200 40 5 IGBBRN Cc1c(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220023566 556645020 /nfs/dbraw/zinc/64/50/20/556645020.db2.gz PFORXHCVJXGZLT-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN C[C@@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000070466414 556700247 /nfs/dbraw/zinc/70/02/47/556700247.db2.gz GTUIRORNXIOHQR-SECBINFHSA-N 0 0 431.392 3.315 40 5 in-vitro IGBBRN COc1cc(CO)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409114860 556962738 /nfs/dbraw/zinc/96/27/38/556962738.db2.gz LRCIBMNZDBCMPB-UHFFFAOYSA-N 0 0 446.153 3.401 40 5 IGBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)ccc1[N+](=O)[O-] ZINC000020528553 557078039 /nfs/dbraw/zinc/07/80/39/557078039.db2.gz FQPLGCOCXJHMND-UHFFFAOYSA-N 0 0 436.390 3.366 40 5 IGBBRN Cc1cccc(CCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220393690 557135578 /nfs/dbraw/zinc/13/55/78/557135578.db2.gz GTHZCOXOVQFHAM-KRWDZBQOSA-N 0 0 433.530 3.115 40 5 IGBBRN C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220416004 557149737 /nfs/dbraw/zinc/14/97/37/557149737.db2.gz TZKKIGQJSYSCJC-CQSZACIVSA-N 0 0 439.921 3.152 40 5 IGBBRN C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419369 557149781 /nfs/dbraw/zinc/14/97/81/557149781.db2.gz RPUMWYQFWGFIHT-KDOFPFPSSA-N 0 0 447.513 3.168 40 5 IGBBRN COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000218274305 557186970 /nfs/dbraw/zinc/18/69/70/557186970.db2.gz VKHLUKFXDSWQCP-LLVKDONJSA-N 0 0 427.866 3.050 40 5 IGBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000057317102 557240814 /nfs/dbraw/zinc/24/08/14/557240814.db2.gz PXTNCDBFNNWUSR-UHFFFAOYSA-N 0 0 440.500 3.307 40 5 IGBBRN CSc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220069450 557279959 /nfs/dbraw/zinc/27/99/59/557279959.db2.gz JKYMLOJEATTYMU-UHFFFAOYSA-N 0 0 429.907 3.375 40 5 IGBBRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000101861054 557303668 /nfs/dbraw/zinc/30/36/68/557303668.db2.gz KJUOOIWMFCZXRI-PRHHBONVSA-N 0 0 449.500 3.318 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000408562470 557417372 /nfs/dbraw/zinc/41/73/72/557417372.db2.gz PVQSALXRALERIO-UHFFFAOYSA-N 0 0 447.513 3.404 40 5 IGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 ZINC000408636991 557423371 /nfs/dbraw/zinc/42/33/71/557423371.db2.gz FBKVZWJKVPBLKA-CYBMUJFWSA-N 0 0 447.241 3.136 40 5 IGBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408641268 557424461 /nfs/dbraw/zinc/42/44/61/557424461.db2.gz CEWDVMPBYXWIHY-WOJBJXKFSA-N 0 0 447.447 3.176 40 5 IGBBRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 ZINC000408640624 557425614 /nfs/dbraw/zinc/42/56/14/557425614.db2.gz BAZRDQANWMMBKP-MAUKXSAKSA-N 0 0 426.425 3.161 40 5 IGBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728087 557531801 /nfs/dbraw/zinc/53/18/01/557531801.db2.gz SMGNEMKOKOFQCE-SOFYXZRVSA-N 0 0 429.366 3.468 40 5 IGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225098232 557687734 /nfs/dbraw/zinc/68/77/34/557687734.db2.gz CVQFGZVSPXRRDA-LJQANCHMSA-N 0 0 443.500 3.316 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000030952150 557788849 /nfs/dbraw/zinc/78/88/49/557788849.db2.gz GNNLJFLPAXZFGV-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O ZINC000260795979 557856339 /nfs/dbraw/zinc/85/63/39/557856339.db2.gz NVPKQTDLVGHLNN-MRXNPFEDSA-N 0 0 433.530 3.195 40 5 IGBBRN C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000260924474 568630006 /nfs/dbraw/zinc/63/00/06/568630006.db2.gz HYLUACICFCGVAD-GJZGRUSLSA-N 0 0 431.514 3.115 40 5 IGBBRN COc1ccc(C)cc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222374159 568640393 /nfs/dbraw/zinc/64/03/93/568640393.db2.gz CHMHWRYSOCNXQU-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535359 568651623 /nfs/dbraw/zinc/65/16/23/568651623.db2.gz ARRISMLLDPCKRT-KRWDZBQOSA-N 0 0 435.502 3.404 40 5 IGBBRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222780539 568661591 /nfs/dbraw/zinc/66/15/91/568661591.db2.gz BRSNDEWCDAWDEE-HZPDHXFCSA-N 0 0 433.530 3.498 40 5 IGBBRN CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218257246 568741261 /nfs/dbraw/zinc/74/12/61/568741261.db2.gz UNCAHYDYLKJYSU-UHFFFAOYSA-N 0 0 427.866 3.052 40 5 IGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222988436 568774517 /nfs/dbraw/zinc/77/45/17/568774517.db2.gz OTRZPYGHGISMHT-QGZVFWFLSA-N 0 0 443.500 3.316 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223036929 568775822 /nfs/dbraw/zinc/77/58/22/568775822.db2.gz QCGHIWGQBKEETI-CQSZACIVSA-N 0 0 448.317 3.453 40 5 IGBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000223088566 568779222 /nfs/dbraw/zinc/77/92/22/568779222.db2.gz VWDFLHXGLFKECT-UHFFFAOYSA-N 0 0 435.889 3.236 40 5 IGBBRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223462303 568836287 /nfs/dbraw/zinc/83/62/87/568836287.db2.gz WWORKXPZGDIREJ-HXUWFJFHSA-N 0 0 429.542 3.424 40 5 IGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223472289 568839631 /nfs/dbraw/zinc/83/96/31/568839631.db2.gz CDFACQQTOSRXBU-QGZVFWFLSA-N 0 0 427.501 3.480 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000016692727 568938191 /nfs/dbraw/zinc/93/81/91/568938191.db2.gz OYQSBMWXZAULQE-UHFFFAOYSA-N 0 0 441.893 3.215 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC000138700478 569105845 /nfs/dbraw/zinc/10/58/45/569105845.db2.gz KAHWPLPTUJPQEE-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000017103040 569173712 /nfs/dbraw/zinc/17/37/12/569173712.db2.gz YRMCTGZHNUWMLO-UHFFFAOYSA-N 0 0 439.291 3.306 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224932311 569193871 /nfs/dbraw/zinc/19/38/71/569193871.db2.gz QNMLYQSVTGDENU-HXUWFJFHSA-N 0 0 446.529 3.378 40 5 IGBBRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225007887 569212440 /nfs/dbraw/zinc/21/24/40/569212440.db2.gz BFQZOPGFRFEJSM-KRWDZBQOSA-N 0 0 441.893 3.440 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225083433 569215587 /nfs/dbraw/zinc/21/55/87/569215587.db2.gz PXBITKJFLQXZEV-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000033620361 569244995 /nfs/dbraw/zinc/24/49/95/569244995.db2.gz KAXZOCDYGXFXIP-UHFFFAOYSA-N 0 0 448.932 3.159 40 5 IGBBRN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009059397 569293304 /nfs/dbraw/zinc/29/33/04/569293304.db2.gz ZAYCGCPZVFURNY-KRWDZBQOSA-N 0 0 440.485 3.158 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009348887 569295703 /nfs/dbraw/zinc/29/57/03/569295703.db2.gz YAOJLVKSVMJFBW-AWWSKVOZSA-N 0 0 449.500 3.033 40 5 IGBBRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009423114 569296175 /nfs/dbraw/zinc/29/61/75/569296175.db2.gz SYYZSHSUUWGNRU-LOKHBOFASA-N 0 0 445.475 3.461 40 5 IGBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1[N+](=O)[O-] ZINC000010153432 569299444 /nfs/dbraw/zinc/29/94/44/569299444.db2.gz AGPGMJCGKYTUNN-HNNXBMFYSA-N 0 0 426.820 3.337 40 5 IGBBRN CC[C@@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000011692084 569302840 /nfs/dbraw/zinc/30/28/40/569302840.db2.gz RKAOYDIYRXCCGW-GFCCVEGCSA-N 0 0 445.479 3.423 40 5 IGBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000032124725 569460313 /nfs/dbraw/zinc/46/03/13/569460313.db2.gz FHLVTDIAXITOPS-PDICVPPASA-N 0 0 440.499 3.057 40 5 IGBBRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059520279 569461696 /nfs/dbraw/zinc/46/16/96/569461696.db2.gz JLCNNLKMPXQVLI-UHFFFAOYSA-N 0 0 448.545 3.247 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000038755158 569468841 /nfs/dbraw/zinc/46/88/41/569468841.db2.gz BGJZYUTWLPAMPE-SFHVURJKSA-N 0 0 449.529 3.273 40 5 IGBBRN CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504062 132347646 /nfs/dbraw/zinc/34/76/46/132347646.db2.gz GRMSWWIWWMWREX-HXUWFJFHSA-N 0 0 439.495 3.387 40 5 IGBBRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020798694 520476284 /nfs/dbraw/zinc/47/62/84/520476284.db2.gz OFPBYVLBXJZFIH-LJQANCHMSA-N 0 0 437.452 3.419 40 5 IGBBRN O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611866 526946653 /nfs/dbraw/zinc/94/66/53/526946653.db2.gz VTIMNSKKAPLENG-UHFFFAOYSA-N 0 0 436.262 3.211 40 5 IGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000408677272 556071399 /nfs/dbraw/zinc/07/13/99/556071399.db2.gz BLGMXSWQVRVLSU-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640693 556413046 /nfs/dbraw/zinc/41/30/46/556413046.db2.gz WBJLGGZYSVODGC-PKOBYXMFSA-N 0 0 431.539 3.487 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O ZINC000408652942 556613156 /nfs/dbraw/zinc/61/31/56/556613156.db2.gz PGBUYHUXIQAXSK-ZBFHGGJFSA-N 0 0 426.425 3.079 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408671045 556614252 /nfs/dbraw/zinc/61/42/52/556614252.db2.gz SAMDLCIQLCWAHL-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408683184 556616339 /nfs/dbraw/zinc/61/63/39/556616339.db2.gz KRPRUTYGAATPCA-FQELHTAISA-N 0 0 447.447 3.032 40 5 IGBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408686622 556616870 /nfs/dbraw/zinc/61/68/70/556616870.db2.gz SFAVXCDROFFYSZ-SUMDDJOVSA-N 0 0 449.463 3.256 40 5 IGBBRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000409390910 556639137 /nfs/dbraw/zinc/63/91/37/556639137.db2.gz MEJHQESFBGIOEO-UHFFFAOYSA-N 0 0 433.486 3.014 40 5 IGBBRN CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1 ZINC000040398893 556640807 /nfs/dbraw/zinc/64/08/07/556640807.db2.gz PPQLYWLHUJPZBT-UHFFFAOYSA-N 0 0 436.884 3.183 40 5 IGBBRN O=C(NCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013562931 556697387 /nfs/dbraw/zinc/69/73/87/556697387.db2.gz YJBUOOIEGSTQTC-UHFFFAOYSA-N 0 0 434.408 3.363 40 5 IGBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000409232257 557023994 /nfs/dbraw/zinc/02/39/94/557023994.db2.gz NMHMFQKZAQNRFS-LICLKQGHSA-N 0 0 428.832 3.342 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000409265571 557039099 /nfs/dbraw/zinc/03/90/99/557039099.db2.gz VQDWTFKDMNSBAH-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000409344566 557071576 /nfs/dbraw/zinc/07/15/76/557071576.db2.gz HKIMTKHATSNSRV-LICLKQGHSA-N 0 0 443.437 3.287 40 5 IGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409350657 557078511 /nfs/dbraw/zinc/07/85/11/557078511.db2.gz SIQOEZWJAHERNP-SXGWCWSVSA-N 0 0 434.451 3.337 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000220391588 557135650 /nfs/dbraw/zinc/13/56/50/557135650.db2.gz DEQWJWOYYFHFRL-DLBZAZTESA-N 0 0 433.530 3.195 40 5 IGBBRN C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419303 557149827 /nfs/dbraw/zinc/14/98/27/557149827.db2.gz RPUMWYQFWGFIHT-KSSFIOAISA-N 0 0 447.513 3.168 40 5 IGBBRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cc([N+](=O)[O-])ccc1C)=C2C ZINC000219189863 557230548 /nfs/dbraw/zinc/23/05/48/557230548.db2.gz TVMSBKSWCAVLFS-UHFFFAOYSA-N 0 0 447.469 3.070 40 5 IGBBRN COc1cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000219823915 557268708 /nfs/dbraw/zinc/26/87/08/557268708.db2.gz WOSRRRNRFLZHBJ-UHFFFAOYSA-N 0 0 439.390 3.350 40 5 IGBBRN Cc1c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028000 557277781 /nfs/dbraw/zinc/27/77/81/557277781.db2.gz QNWQMGNMPDLBBA-UHFFFAOYSA-N 0 0 445.541 3.151 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000014412246 557337234 /nfs/dbraw/zinc/33/72/34/557337234.db2.gz XLWWNEQDBNRHAV-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102699919 557363963 /nfs/dbraw/zinc/36/39/63/557363963.db2.gz FSIMUIITLVUBGL-QTDGGUCWSA-N 0 0 449.500 3.033 40 5 IGBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000408548536 557415812 /nfs/dbraw/zinc/41/58/12/557415812.db2.gz IJFXIBZVZGNJSS-UUILKARUSA-N 0 0 440.195 3.227 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000408557460 557416252 /nfs/dbraw/zinc/41/62/52/557416252.db2.gz MWXLHRSBQKLZSY-UHFFFAOYSA-N 0 0 447.513 3.341 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408557196 557416796 /nfs/dbraw/zinc/41/67/96/557416796.db2.gz LZSIOOPCQXWQMC-OAHLLOKOSA-N 0 0 433.486 3.033 40 5 IGBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000408583031 557420203 /nfs/dbraw/zinc/42/02/03/557420203.db2.gz RDQHBCZDBWNPPE-UHFFFAOYSA-N 0 0 429.458 3.436 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408590472 557420592 /nfs/dbraw/zinc/42/05/92/557420592.db2.gz GZFRDNFPXWCTJV-HNNXBMFYSA-N 0 0 435.502 3.244 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408640245 557424222 /nfs/dbraw/zinc/42/42/22/557424222.db2.gz IELSTKFRUFQACO-MRXNPFEDSA-N 0 0 425.441 3.460 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(C)c1 ZINC000408651026 557425026 /nfs/dbraw/zinc/42/50/26/557425026.db2.gz AMEIFBORRCWTQC-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408666208 557426372 /nfs/dbraw/zinc/42/63/72/557426372.db2.gz GTIYHVFGVIZWKS-ZDUSSCGKSA-N 0 0 431.832 3.091 40 5 IGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000408663573 557426874 /nfs/dbraw/zinc/42/68/74/557426874.db2.gz AIIWXYTUHGZCRJ-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000408661887 557426924 /nfs/dbraw/zinc/42/69/24/557426924.db2.gz OUFKVAPTMRFQLP-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000408652132 557428182 /nfs/dbraw/zinc/42/81/82/557428182.db2.gz OMCYWQXKTBCRSX-KDURUIRLSA-N 0 0 435.436 3.010 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269934 557429154 /nfs/dbraw/zinc/42/91/54/557429154.db2.gz YJSSZJIBAUXTCW-UHFFFAOYSA-N 0 0 445.457 3.239 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000222377239 568639692 /nfs/dbraw/zinc/63/96/92/568639692.db2.gz VCWZHZIDHMBCNP-UHFFFAOYSA-N 0 0 433.530 3.198 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222528771 568650510 /nfs/dbraw/zinc/65/05/10/568650510.db2.gz MOBMKAJSTHUNGE-UXHICEINSA-N 0 0 431.514 3.333 40 5 IGBBRN CCOc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222533253 568651440 /nfs/dbraw/zinc/65/14/40/568651440.db2.gz IIIUCMWRELCLED-SFHVURJKSA-N 0 0 435.502 3.485 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538950 568651676 /nfs/dbraw/zinc/65/16/76/568651676.db2.gz AXIPUGMRRQHJJA-INIZCTEOSA-N 0 0 427.429 3.365 40 5 IGBBRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544886 568652445 /nfs/dbraw/zinc/65/24/45/568652445.db2.gz LXFVDFHHHSAUHB-HNNXBMFYSA-N 0 0 441.893 3.440 40 5 IGBBRN CCOc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222620608 568655408 /nfs/dbraw/zinc/65/54/08/568655408.db2.gz AHAGPHJONQHMQY-UHFFFAOYSA-N 0 0 435.502 3.487 40 5 IGBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218266623 568741208 /nfs/dbraw/zinc/74/12/08/568741208.db2.gz MEDDCTWMVCNTRQ-UHFFFAOYSA-N 0 0 448.284 3.315 40 5 IGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223418906 568826387 /nfs/dbraw/zinc/82/63/87/568826387.db2.gz NRJATGMFGPOKMV-FQEVSTJZSA-N 0 0 445.541 3.390 40 5 IGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223426393 568827685 /nfs/dbraw/zinc/82/76/85/568827685.db2.gz ZBJZDMUWJUQDNM-KRWDZBQOSA-N 0 0 427.501 3.480 40 5 IGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223524910 568861288 /nfs/dbraw/zinc/86/12/88/568861288.db2.gz VHIRAPMMGOOCBL-UHFFFAOYSA-N 0 0 429.498 3.407 40 5 IGBBRN CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000223547398 568866421 /nfs/dbraw/zinc/86/64/21/568866421.db2.gz KYJYVMYIXWOUTJ-HNNXBMFYSA-N 0 0 433.530 3.191 40 5 IGBBRN COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016362338 568878575 /nfs/dbraw/zinc/87/85/75/568878575.db2.gz NHQFJHFBEJSOAU-UHFFFAOYSA-N 0 0 448.932 3.402 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223967515 568880154 /nfs/dbraw/zinc/88/01/54/568880154.db2.gz VKNBHLGCJNOHOB-INIZCTEOSA-N 0 0 445.541 3.390 40 5 IGBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NC[C@@H]1CCCO1 ZINC000008792288 568927209 /nfs/dbraw/zinc/92/72/09/568927209.db2.gz AQGKERXUCLLWQX-INIZCTEOSA-N 0 0 427.460 3.266 40 5 IGBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NC6CC6)ccc5n(c43)c(=O)c2c1OC ZINC000008792416 568927324 /nfs/dbraw/zinc/92/73/24/568927324.db2.gz WVULRPGRFJBAGM-UHFFFAOYSA-N 0 0 443.459 3.267 40 5 IGBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224457089 568927789 /nfs/dbraw/zinc/92/77/89/568927789.db2.gz NCJXGCSYFDVWSJ-QGZVFWFLSA-N 0 0 427.501 3.335 40 5 IGBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000017227460 569176176 /nfs/dbraw/zinc/17/61/76/569176176.db2.gz IHDXRTSTUVYMNT-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024429 569213726 /nfs/dbraw/zinc/21/37/26/569213726.db2.gz DHSGZOOZJDPZDF-UHFFFAOYSA-N 0 0 432.239 3.415 40 5 IGBBRN CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000225025822 569213730 /nfs/dbraw/zinc/21/37/30/569213730.db2.gz XTPCVWVXCZKRBD-INIZCTEOSA-N 0 0 447.557 3.499 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000010360797 569223763 /nfs/dbraw/zinc/22/37/63/569223763.db2.gz HBRKVJUYAVQEKE-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)o1 ZINC000108223955 569252783 /nfs/dbraw/zinc/25/27/83/569252783.db2.gz MBERRVXCSUQQQP-YBEGLDIGSA-N 0 0 437.364 3.327 40 5 IGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000008918651 569292304 /nfs/dbraw/zinc/29/23/04/569292304.db2.gz DOFAJULQEYVWNM-CEDHKZHLSA-N 0 0 433.464 3.176 40 5 IGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225383959 569296004 /nfs/dbraw/zinc/29/60/04/569296004.db2.gz KVOAQLCQGSGAKR-DLBZAZTESA-N 0 0 427.501 3.478 40 5 IGBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)NC(C)C ZINC000010009058 569299089 /nfs/dbraw/zinc/29/90/89/569299089.db2.gz YLHMDSFQIDXVJT-UHFFFAOYSA-N 0 0 427.866 3.196 40 5 IGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000010449064 569300113 /nfs/dbraw/zinc/30/01/13/569300113.db2.gz RIKYMTKPODVHEJ-UHFFFAOYSA-N 0 0 437.477 3.379 40 5 IGBBRN CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000019633599 569324172 /nfs/dbraw/zinc/32/41/72/569324172.db2.gz OELDABXEIKNXRH-UHFFFAOYSA-N 0 0 441.469 3.252 40 5 IGBBRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020106704 569333827 /nfs/dbraw/zinc/33/38/27/569333827.db2.gz YAOKFVLPWMMJGU-FQEVSTJZSA-N 0 0 449.529 3.273 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225531992 569403686 /nfs/dbraw/zinc/40/36/86/569403686.db2.gz QSWKXRJYGYDOCR-KRWDZBQOSA-N 0 0 443.500 3.233 40 5 IGBBRN COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611753 523494081 /nfs/dbraw/zinc/49/40/81/523494081.db2.gz ALVQZWXKQYRONX-UHFFFAOYSA-N 0 0 436.262 3.455 40 5 IGBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O ZINC000022535061 525081464 /nfs/dbraw/zinc/08/14/64/525081464.db2.gz UDMSWPPOIWRFLK-UHFFFAOYSA-N 0 0 425.850 3.184 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016347431 526079671 /nfs/dbraw/zinc/07/96/71/526079671.db2.gz ZNMCPHQQFUHOPP-UHFFFAOYSA-N 0 0 433.486 3.142 40 5 IGBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000034763866 555508503 /nfs/dbraw/zinc/50/85/03/555508503.db2.gz GHLJIFMCGIUKGR-UHFFFAOYSA-N 0 0 443.485 3.350 40 5 IGBBRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000036184260 556287508 /nfs/dbraw/zinc/28/75/08/556287508.db2.gz DETWJJPLCOZSAC-UHFFFAOYSA-N 0 0 445.387 3.191 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C ZINC000408672821 556614490 /nfs/dbraw/zinc/61/44/90/556614490.db2.gz XFMANMFLRAWDOD-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000408702115 556618043 /nfs/dbraw/zinc/61/80/43/556618043.db2.gz CINMZDRWXIJLNT-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000409110038 556630481 /nfs/dbraw/zinc/63/04/81/556630481.db2.gz PZZVAHXTKCYRTJ-UHFFFAOYSA-N 0 0 429.454 3.161 40 5 IGBBRN O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409213253 556634924 /nfs/dbraw/zinc/63/49/24/556634924.db2.gz RZZNYFJTFOETSA-XDHOZWIPSA-N 0 0 449.398 3.056 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000409390668 556639052 /nfs/dbraw/zinc/63/90/52/556639052.db2.gz KYTOLHLVUUDUNZ-UHFFFAOYSA-N 0 0 433.486 3.014 40 5 IGBBRN Cc1nnc(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)[nH]1 ZINC000040398741 556640589 /nfs/dbraw/zinc/64/05/89/556640589.db2.gz KCVNJGZOIFGVIF-UHFFFAOYSA-N 0 0 439.262 3.423 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220023631 556645049 /nfs/dbraw/zinc/64/50/49/556645049.db2.gz IAZWZQSTJJWAKE-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712480 556714807 /nfs/dbraw/zinc/71/48/07/556714807.db2.gz BSZMNCAFHWVCBW-INIZCTEOSA-N 0 0 441.893 3.440 40 5 IGBBRN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409001303 556914358 /nfs/dbraw/zinc/91/43/58/556914358.db2.gz HPBSWEOGLVOKLP-QRWLVFNGSA-N 0 0 448.497 3.022 40 5 IGBBRN CCN1C(=O)N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409174414 556984949 /nfs/dbraw/zinc/98/49/49/556984949.db2.gz SMGHMZXMUFVOPY-MDWZMJQESA-N 0 0 428.357 3.217 40 5 IGBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220195891 557005553 /nfs/dbraw/zinc/00/55/53/557005553.db2.gz PBFRDGNVJLDCEE-NSHDSACASA-N 0 0 431.392 3.407 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220362619 557121302 /nfs/dbraw/zinc/12/13/02/557121302.db2.gz MHQKDYJEJDDTSO-GFCCVEGCSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1[N+](=O)[O-] ZINC000021124582 557136201 /nfs/dbraw/zinc/13/62/01/557136201.db2.gz VELHUGGQZRQHIL-UHFFFAOYSA-N 0 0 436.390 3.366 40 5 IGBBRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220412095 557149455 /nfs/dbraw/zinc/14/94/55/557149455.db2.gz GEAXWHJABTZEDA-NSHDSACASA-N 0 0 431.392 3.407 40 5 IGBBRN Cc1cc(I)ccc1NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000778012 557173643 /nfs/dbraw/zinc/17/36/43/557173643.db2.gz XVGDCCZHYAGQHS-UHFFFAOYSA-N 0 0 437.193 3.173 40 5 IGBBRN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408638080 557423692 /nfs/dbraw/zinc/42/36/92/557423692.db2.gz BCQJJAILHXHCDU-INIZCTEOSA-N 0 0 425.441 3.462 40 5 IGBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408670482 557426596 /nfs/dbraw/zinc/42/65/96/557426596.db2.gz QIWQSWSMWLZXFS-AWEZNQCLSA-N 0 0 445.859 3.400 40 5 IGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408670550 557427733 /nfs/dbraw/zinc/42/77/33/557427733.db2.gz RCQQMUAGFOLEMW-CQSZACIVSA-N 0 0 445.859 3.400 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O ZINC000223423905 557470737 /nfs/dbraw/zinc/47/07/37/557470737.db2.gz NUPVCKAURURHRM-INIZCTEOSA-N 0 0 449.529 3.172 40 5 IGBBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000225866411 557787138 /nfs/dbraw/zinc/78/71/38/557787138.db2.gz JPSZMJHFFPSULR-UHFFFAOYSA-N 0 0 447.513 3.349 40 5 IGBBRN COc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC ZINC000000881658 557851356 /nfs/dbraw/zinc/85/13/56/557851356.db2.gz RZIZIHXKPKSBBY-UHFFFAOYSA-N 0 0 425.850 3.401 40 5 IGBBRN CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222527365 568650515 /nfs/dbraw/zinc/65/05/15/568650515.db2.gz FTKDWWPKPUTDTL-HXUWFJFHSA-N 0 0 433.530 3.197 40 5 IGBBRN CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540406 568652102 /nfs/dbraw/zinc/65/21/02/568652102.db2.gz YDZZNSLTVUDLTH-GOSISDBHSA-N 0 0 431.514 3.427 40 5 IGBBRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222545042 568652440 /nfs/dbraw/zinc/65/24/40/568652440.db2.gz PJWRXRWHOZYPBQ-HNNXBMFYSA-N 0 0 441.893 3.440 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222668396 568656541 /nfs/dbraw/zinc/65/65/41/568656541.db2.gz HTKWINXBNWWZHT-INIZCTEOSA-N 0 0 443.500 3.314 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000223190529 568784660 /nfs/dbraw/zinc/78/46/60/568784660.db2.gz DIBJNDCCEPYXBW-HNNXBMFYSA-N 0 0 431.514 3.035 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000223235520 568786036 /nfs/dbraw/zinc/78/60/36/568786036.db2.gz BKZRTXDHBDRWOX-HOTGVXAUSA-N 0 0 445.541 3.424 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223720146 568876611 /nfs/dbraw/zinc/87/66/11/568876611.db2.gz VOAZXTDGVMMTNU-CQSZACIVSA-N 0 0 449.891 3.189 40 5 IGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223769330 568877008 /nfs/dbraw/zinc/87/70/08/568877008.db2.gz PBJWKLDYLQKHSA-KSSFIOAISA-N 0 0 435.502 3.025 40 5 IGBBRN CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223801668 568877383 /nfs/dbraw/zinc/87/73/83/568877383.db2.gz WNURYBWXWTWJNK-INIZCTEOSA-N 0 0 449.529 3.068 40 5 IGBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223881875 568878233 /nfs/dbraw/zinc/87/82/33/568878233.db2.gz INDUYIIBGCQTCA-HNNXBMFYSA-N 0 0 447.463 3.065 40 5 IGBBRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224218760 568916318 /nfs/dbraw/zinc/91/63/18/568916318.db2.gz GWYKIGXYIMKVSM-LJQANCHMSA-N 0 0 443.500 3.234 40 5 IGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224609116 568941159 /nfs/dbraw/zinc/94/11/59/568941159.db2.gz CCJUNAOUBIXKNC-UHFFFAOYSA-N 0 0 442.877 3.405 40 5 IGBBRN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000017098003 569173442 /nfs/dbraw/zinc/17/34/42/569173442.db2.gz YSELILRUAAXFKF-SECBINFHSA-N 0 0 432.527 3.315 40 5 IGBBRN COCc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000224862201 569190261 /nfs/dbraw/zinc/19/02/61/569190261.db2.gz WWNAXCCWKVOWBW-UHFFFAOYSA-N 0 0 435.502 3.235 40 5 IGBBRN Cc1c(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224887339 569190416 /nfs/dbraw/zinc/19/04/16/569190416.db2.gz GQYSXXRXMUQIAI-UHFFFAOYSA-N 0 0 447.391 3.207 40 5 IGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225005509 569212386 /nfs/dbraw/zinc/21/23/86/569212386.db2.gz BUUVPAKNBOZMQR-IAGOWNOFSA-N 0 0 443.500 3.314 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000010338947 569223614 /nfs/dbraw/zinc/22/36/14/569223614.db2.gz WSAJVXBHNIQHLD-UHFFFAOYSA-N 0 0 442.291 3.070 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000010434410 569224298 /nfs/dbraw/zinc/22/42/98/569224298.db2.gz DPRBIKHXEIDBSN-UHFFFAOYSA-N 0 0 435.502 3.405 40 5 IGBBRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccccc2OC)n1 ZINC000002329590 569274020 /nfs/dbraw/zinc/27/40/20/569274020.db2.gz ARQCTSGZTDGSCV-CNDZOEFASA-N 0 0 428.489 3.328 40 5 IGBBRN CC(=O)c1ccc2c(c1)OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCO2 ZINC000008892738 569292068 /nfs/dbraw/zinc/29/20/68/569292068.db2.gz YTVVACXZEZRFJY-UHFFFAOYSA-N 0 0 447.440 3.060 40 5 IGBBRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000008933981 569292605 /nfs/dbraw/zinc/29/26/05/569292605.db2.gz HKKYXTGLTFITGO-UHFFFAOYSA-N 0 0 435.527 3.356 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009069279 569293531 /nfs/dbraw/zinc/29/35/31/569293531.db2.gz SVQXZHLYWFJECZ-MRXNPFEDSA-N 0 0 439.877 3.049 40 5 IGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000013083798 569309391 /nfs/dbraw/zinc/30/93/91/569309391.db2.gz HVVRZAZPDWSAIJ-CQSZACIVSA-N 0 0 432.433 3.352 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008087 569332517 /nfs/dbraw/zinc/33/25/17/569332517.db2.gz RBWNTLWKCKKGPH-FQEVSTJZSA-N 0 0 443.456 3.262 40 5 IGBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000030753735 569447648 /nfs/dbraw/zinc/44/76/48/569447648.db2.gz BNTLAYDBOBCCKC-UHFFFAOYSA-N 0 0 427.866 3.196 40 5 IGBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000032124726 569460333 /nfs/dbraw/zinc/46/03/33/569460333.db2.gz FHLVTDIAXITOPS-GPILYODUSA-N 0 0 440.499 3.057 40 5 IGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059503320 569461639 /nfs/dbraw/zinc/46/16/39/569461639.db2.gz JZZUZHSAIMFSJS-ZRDDSIGQSA-N 0 0 441.399 3.380 40 5 IGBBRN O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000039964017 569482063 /nfs/dbraw/zinc/48/20/63/569482063.db2.gz KWDUGGMABHDUEO-LPHOPBHVSA-N 0 0 435.440 3.040 40 5 IGBBRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)cc1 ZINC000040400478 569501593 /nfs/dbraw/zinc/50/15/93/569501593.db2.gz SVOVXGCPXLVVGJ-OAHLLOKOSA-N 0 0 448.439 3.103 40 5 IGBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2nsnc2c1 ZINC000057313964 569583583 /nfs/dbraw/zinc/58/35/83/569583583.db2.gz ZZQWJNLMJRSNFW-UHFFFAOYSA-N 0 0 442.507 3.850 40 5 IGBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)c1 ZINC000017227402 526237148 /nfs/dbraw/zinc/23/71/48/526237148.db2.gz QVEMICAMPKQFOS-UHFFFAOYSA-N 0 0 446.441 3.305 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408680786 556075583 /nfs/dbraw/zinc/07/55/83/556075583.db2.gz GRCFGKIIDSZHDH-BGYRXZFFSA-N 0 0 447.447 3.095 40 5 IGBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000408682833 556616296 /nfs/dbraw/zinc/61/62/96/556616296.db2.gz JYPALRRLNOZVTN-UHFFFAOYSA-N 0 0 429.388 3.131 40 5 IGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408688691 556617174 /nfs/dbraw/zinc/61/71/74/556617174.db2.gz WSPYQTAPFBHKPE-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000408702038 556618227 /nfs/dbraw/zinc/61/82/27/556618227.db2.gz JVAUSTOWVSOHBQ-UHFFFAOYSA-N 0 0 449.485 3.039 40 5 IGBBRN COC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408751168 556619677 /nfs/dbraw/zinc/61/96/77/556619677.db2.gz XGRZULNAGGLYPA-UHFFFAOYSA-N 0 0 429.435 3.270 40 5 IGBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409165845 556982300 /nfs/dbraw/zinc/98/23/00/556982300.db2.gz APVSTOCBCXQBNZ-CXUHLZMHSA-N 0 0 431.401 3.418 40 5 IGBBRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409328729 557062783 /nfs/dbraw/zinc/06/27/83/557062783.db2.gz AIUUQYBMMYUHID-UHFFFAOYSA-N 0 0 440.485 3.118 40 5 IGBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I ZINC000409411108 557104177 /nfs/dbraw/zinc/10/41/77/557104177.db2.gz CENMJFPLYKBXQP-UHFFFAOYSA-N 0 0 448.238 3.317 40 5 IGBBRN COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000220341248 557116921 /nfs/dbraw/zinc/11/69/21/557116921.db2.gz MRPPWYJGDOUDEV-GFCCVEGCSA-N 0 0 441.893 3.358 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220362684 557121205 /nfs/dbraw/zinc/12/12/05/557121205.db2.gz MHQKDYJEJDDTSO-LBPRGKRZSA-N 0 0 441.893 3.358 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000220391117 557135194 /nfs/dbraw/zinc/13/51/94/557135194.db2.gz KCNMKDZLOWZZMY-OAHLLOKOSA-N 0 0 435.502 3.484 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000220395171 557135922 /nfs/dbraw/zinc/13/59/22/557135922.db2.gz SEYACIYYNQCSDC-HNAYVOBHSA-N 0 0 431.514 3.252 40 5 IGBBRN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220404905 557143728 /nfs/dbraw/zinc/14/37/28/557143728.db2.gz COQKITQDXOZKKQ-NSHDSACASA-N 0 0 446.312 3.373 40 5 IGBBRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100829582 557182496 /nfs/dbraw/zinc/18/24/96/557182496.db2.gz GOHDMJMWXUVVEM-SQNIBIBYSA-N 0 0 447.278 3.437 40 5 IGBBRN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000101169179 557257439 /nfs/dbraw/zinc/25/74/39/557257439.db2.gz RRLRTYLZAZPELC-DDOIHHOZSA-N 0 0 449.500 3.318 40 5 IGBBRN Cc1ccc2nc3nc(NC4CCCC4)c(C(=O)NCc4cccnc4)cc3c(=O)n2c1 ZINC000013519057 557335312 /nfs/dbraw/zinc/33/53/12/557335312.db2.gz PCKKBAXWGZPJSG-UHFFFAOYSA-N 0 0 428.496 3.231 40 5 IGBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222988086 557412567 /nfs/dbraw/zinc/41/25/67/557412567.db2.gz JBLRCQBIRCCMKJ-CQSZACIVSA-N 0 0 448.317 3.453 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408573875 557419697 /nfs/dbraw/zinc/41/96/97/557419697.db2.gz PLJILJWDEXZAJY-UHFFFAOYSA-N 0 0 447.875 3.153 40 5 IGBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000408588230 557420253 /nfs/dbraw/zinc/42/02/53/557420253.db2.gz CZXBBYRXDZICDX-GFCCVEGCSA-N 0 0 441.893 3.261 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000408641752 557424491 /nfs/dbraw/zinc/42/44/91/557424491.db2.gz MPRFTAOXIUVMJL-HNNXBMFYSA-N 0 0 441.440 3.160 40 5 IGBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408647536 557425288 /nfs/dbraw/zinc/42/52/88/557425288.db2.gz JKQANYLMJMRLDO-RYGJVYDSSA-N 0 0 449.463 3.399 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O ZINC000408649487 557425338 /nfs/dbraw/zinc/42/53/38/557425338.db2.gz KYPCDFIPFYTWHS-CYBMUJFWSA-N 0 0 432.816 3.036 40 5 IGBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408650642 557425572 /nfs/dbraw/zinc/42/55/72/557425572.db2.gz MMQOPFPOPWMMIT-UIAACRFSSA-N 0 0 449.463 3.256 40 5 IGBBRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408666055 557427155 /nfs/dbraw/zinc/42/71/55/557427155.db2.gz NNKICSCPGLZDOD-UHFFFAOYSA-N 0 0 429.429 3.284 40 5 IGBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000106764784 557532497 /nfs/dbraw/zinc/53/24/97/557532497.db2.gz MKUFNJMTKWDNAO-ATVHPVEESA-N 0 0 426.454 3.044 40 5 IGBBRN Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000907442 568635569 /nfs/dbraw/zinc/63/55/69/568635569.db2.gz VIHHUCDGPOWATG-UHFFFAOYSA-N 0 0 439.497 3.102 40 5 IGBBRN CC[C@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222517860 568650035 /nfs/dbraw/zinc/65/00/35/568650035.db2.gz LEQIEFYFZJGZCE-GOSISDBHSA-N 0 0 437.543 3.048 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520524 568650291 /nfs/dbraw/zinc/65/02/91/568650291.db2.gz AVHDYXDCABUDPQ-MRXNPFEDSA-N 0 0 441.893 3.440 40 5 IGBBRN CCOc1cccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222541688 568652064 /nfs/dbraw/zinc/65/20/64/568652064.db2.gz FIUVMLSOCBZUGF-SFHVURJKSA-N 0 0 435.502 3.485 40 5 IGBBRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222543542 568652131 /nfs/dbraw/zinc/65/21/31/568652131.db2.gz AVDSDRUZJZQDPB-WMLDXEAASA-N 0 0 435.502 3.025 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222544087 568652305 /nfs/dbraw/zinc/65/23/05/568652305.db2.gz UIJVAULKRWJRCD-KRWDZBQOSA-N 0 0 435.502 3.404 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547747 568652510 /nfs/dbraw/zinc/65/25/10/568652510.db2.gz CFIHRGJJOXAYPD-OAHLLOKOSA-N 0 0 443.428 3.065 40 5 IGBBRN Cc1c(N(CC(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222881442 568736609 /nfs/dbraw/zinc/73/66/09/568736609.db2.gz KESIPBOFNKNVHZ-UHFFFAOYSA-N 0 0 427.482 3.139 40 5 IGBBRN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001455646 568818097 /nfs/dbraw/zinc/81/80/97/568818097.db2.gz ULHIKXDRNSGZCV-UHFFFAOYSA-N 0 0 446.481 3.199 40 5 IGBBRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223462244 568836344 /nfs/dbraw/zinc/83/63/44/568836344.db2.gz WWORKXPZGDIREJ-FQEVSTJZSA-N 0 0 429.542 3.424 40 5 IGBBRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016401480 568887613 /nfs/dbraw/zinc/88/76/13/568887613.db2.gz MOKATFMUXDQEJM-UHFFFAOYSA-N 0 0 434.905 3.207 40 5 IGBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224174758 568908731 /nfs/dbraw/zinc/90/87/31/568908731.db2.gz GWSJFCZNDISBSI-IBGZPJMESA-N 0 0 443.500 3.234 40 5 IGBBRN CCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000017103043 569173253 /nfs/dbraw/zinc/17/32/53/569173253.db2.gz KTVJVUNEZDLFRJ-UHFFFAOYSA-N 0 0 439.291 3.387 40 5 IGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017096403 569172476 /nfs/dbraw/zinc/17/24/76/569172476.db2.gz JLZAJGROPUSUPZ-UHFFFAOYSA-N 0 0 429.414 3.202 40 5 IGBBRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224752242 569185218 /nfs/dbraw/zinc/18/52/18/569185218.db2.gz YKXHKGNDSMAHSN-UHFFFAOYSA-N 0 0 428.850 3.015 40 5 IGBBRN COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224769286 569185987 /nfs/dbraw/zinc/18/59/87/569185987.db2.gz AOYSIALZCJVASO-UHFFFAOYSA-N 0 0 443.275 3.034 40 5 IGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000224988900 569208319 /nfs/dbraw/zinc/20/83/19/569208319.db2.gz VJJBJZKTSPJBGC-UHFFFAOYSA-N 0 0 440.499 3.084 40 5 IGBBRN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000011533202 569224752 /nfs/dbraw/zinc/22/47/52/569224752.db2.gz FNARJAJMCAMXMV-INIZCTEOSA-N 0 0 425.441 3.000 40 5 IGBBRN CC[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] ZINC000107757795 569251197 /nfs/dbraw/zinc/25/11/97/569251197.db2.gz CKOWCHZPYYFXIA-DYTQJMLRSA-N 0 0 443.412 3.245 40 5 IGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000008918653 569292338 /nfs/dbraw/zinc/29/23/38/569292338.db2.gz DOFAJULQEYVWNM-LPKWFMKBSA-N 0 0 433.464 3.176 40 5 IGBBRN CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113877785 569296884 /nfs/dbraw/zinc/29/68/84/569296884.db2.gz RCJHSHVTRCXQGO-UHFFFAOYSA-N 0 0 443.275 3.116 40 5 IGBBRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000010009905 569299028 /nfs/dbraw/zinc/29/90/28/569299028.db2.gz QOCBFBHQOSKZLR-UHFFFAOYSA-N 0 0 432.502 3.136 40 5 IGBBRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225443739 569301519 /nfs/dbraw/zinc/30/15/19/569301519.db2.gz YMRRLBSRXOGGJL-CYBMUJFWSA-N 0 0 434.290 3.063 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000260513053 569307128 /nfs/dbraw/zinc/30/71/28/569307128.db2.gz ZMKCJCDAAAPVLV-OAHLLOKOSA-N 0 0 437.493 3.466 40 5 IGBBRN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000013387809 569315292 /nfs/dbraw/zinc/31/52/92/569315292.db2.gz JWFRVFKQMGTLRM-QGZVFWFLSA-N 0 0 439.471 3.256 40 5 IGBBRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410944 569363856 /nfs/dbraw/zinc/36/38/56/569363856.db2.gz DOODTMSFTZMDQA-UHFFFAOYSA-N 0 0 444.513 3.347 40 5 IGBBRN C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225700931 569407268 /nfs/dbraw/zinc/40/72/68/569407268.db2.gz SKFPMKFHUXPZJP-GFCCVEGCSA-N 0 0 445.419 3.085 40 5 IGBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000030861699 569449972 /nfs/dbraw/zinc/44/99/72/569449972.db2.gz LOYOZDXQUKETOQ-UHFFFAOYSA-N 0 0 427.866 3.196 40 5 IGBBRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc([N+](=O)[O-])c1C)=C2C ZINC000219189964 569461903 /nfs/dbraw/zinc/46/19/03/569461903.db2.gz ZWRTYZBHOHOHHZ-UHFFFAOYSA-N 0 0 447.469 3.070 40 5 IGBBRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)O2 ZINC000038853973 569469267 /nfs/dbraw/zinc/46/92/67/569469267.db2.gz OBNWLSXUJMGBLK-GOSISDBHSA-N 0 0 433.486 3.058 40 5 IGBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@@H]2C1 ZINC000009122990 132305037 /nfs/dbraw/zinc/30/50/37/132305037.db2.gz VNMMVXQCNDNNJB-FKHUDQKESA-N 0 0 440.500 3.153 40 5 IGBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cccnc3)CC2)cc1 ZINC000013561812 132349802 /nfs/dbraw/zinc/34/98/02/132349802.db2.gz KNGZPMATBAYWQT-NRFANRHFSA-N 0 0 434.504 3.003 40 5 IGBBRN CC(C)n1c2ccccc2nc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012640115 519926900 /nfs/dbraw/zinc/92/69/00/519926900.db2.gz TYQFAXNQMWTJOY-UHFFFAOYSA-N 0 0 429.502 3.036 40 5 IGBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808621 524013857 /nfs/dbraw/zinc/01/38/57/524013857.db2.gz DOFNEERPAASDCH-SNYIIPAISA-N 0 0 428.448 3.366 40 5 IGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 ZINC000408654985 556033493 /nfs/dbraw/zinc/03/34/93/556033493.db2.gz CEMHXSSEHHAHCS-UHFFFAOYSA-N 0 0 429.429 3.203 40 5 IGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640713 556413335 /nfs/dbraw/zinc/41/33/35/556413335.db2.gz KCNITADKTJAPER-PKOBYXMFSA-N 0 0 431.539 3.487 40 5 IGBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408671044 556615142 /nfs/dbraw/zinc/61/51/42/556615142.db2.gz SAMDLCIQLCWAHL-CYBMUJFWSA-N 0 0 431.832 3.091 40 5 IGBBRN COC(=O)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409350501 556637635 /nfs/dbraw/zinc/63/76/35/556637635.db2.gz RYEWKERZDWNBKU-LICLKQGHSA-N 0 0 426.406 3.301 40 5 IGBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CCCC4)c(=O)c3cc2c1=O ZINC000040399094 556641506 /nfs/dbraw/zinc/64/15/06/556641506.db2.gz CILZFNTZNLHDNY-UHFFFAOYSA-N 0 0 433.468 3.024 40 5 IGBBRN CCCn1c2ccccc2nc1N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000001370947 556792893 /nfs/dbraw/zinc/79/28/93/556792893.db2.gz GLKPHNXWRIDJBU-UHFFFAOYSA-N 0 0 436.516 3.424 40 5 IGBBRN O=C(CN1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1 ZINC000004908282 556825910 /nfs/dbraw/zinc/82/59/10/556825910.db2.gz JRTIFWIDEILTKD-YQQQUEKLSA-N 0 0 429.521 3.161 40 5 IGBBRN O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408937311 556896934 /nfs/dbraw/zinc/89/69/34/556896934.db2.gz QHYGTLQTBSILOV-LDADJPATSA-N 0 0 442.859 3.178 40 5 IGBBRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409126076 556965194 /nfs/dbraw/zinc/96/51/94/556965194.db2.gz DOWYKMRKTNXOQC-UHFFFAOYSA-N 0 0 441.469 3.391 40 5 IGBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220195956 557005643 /nfs/dbraw/zinc/00/56/43/557005643.db2.gz PBFRDGNVJLDCEE-LLVKDONJSA-N 0 0 431.392 3.407 40 5 IGBBRN CC(=O)Nc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409365500 557083941 /nfs/dbraw/zinc/08/39/41/557083941.db2.gz ZTZGUQHKFSZADJ-ZDLGFXPLSA-N 0 0 425.422 3.472 40 5 IGBBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000409367781 557088678 /nfs/dbraw/zinc/08/86/78/557088678.db2.gz GFDVCQPUIJLBRA-ZKKFKWFVSA-N 0 0 440.411 3.200 40 5 IGBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000220386309 557134268 /nfs/dbraw/zinc/13/42/68/557134268.db2.gz NASXNVHZEWLOOD-GFCCVEGCSA-N 0 0 441.893 3.358 40 5 IGBBRN CC(C)c1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000218306821 557191611 /nfs/dbraw/zinc/19/16/11/557191611.db2.gz LVKKZCGBCBCVJB-UHFFFAOYSA-N 0 0 433.530 3.233 40 5 IGBBRN CC1(C)C([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])C1[N+](=O)[O-] ZINC000101533999 557290826 /nfs/dbraw/zinc/29/08/26/557290826.db2.gz PZIQMTLYSMCNCR-TVFCKZIOSA-N 0 0 445.388 3.205 40 5 IGBBRN COc1cc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)ccc1[N+](=O)[O-] ZINC000408555995 557416513 /nfs/dbraw/zinc/41/65/13/557416513.db2.gz YNZAFDGHMQQLPG-UHFFFAOYSA-N 0 0 433.421 3.170 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408608590 557421695 /nfs/dbraw/zinc/42/16/95/557421695.db2.gz RMEQCTFJQPKKHH-UHFFFAOYSA-N 0 0 447.513 3.485 40 5 IGBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000408641630 557424431 /nfs/dbraw/zinc/42/44/31/557424431.db2.gz CVZGUUOEZMMUMD-WOJBJXKFSA-N 0 0 449.463 3.319 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O ZINC000408649488 557425307 /nfs/dbraw/zinc/42/53/07/557425307.db2.gz KYPCDFIPFYTWHS-ZDUSSCGKSA-N 0 0 432.816 3.036 40 5 IGBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408659533 557425794 /nfs/dbraw/zinc/42/57/94/557425794.db2.gz VWQOKOHVIOISAR-ZDUSSCGKSA-N 0 0 443.843 3.416 40 5 IGBBRN O=c1/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000110446605 557514107 /nfs/dbraw/zinc/51/41/07/557514107.db2.gz FMASCBXMGFUEMD-GZTJUZNOSA-N 0 0 433.474 3.306 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028498359 557714639 /nfs/dbraw/zinc/71/46/39/557714639.db2.gz OTQANPHHUNUPED-UHFFFAOYSA-N 0 0 429.420 3.433 40 5 IGBBRN COc1ccc(Cl)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361568 568637945 /nfs/dbraw/zinc/63/79/45/568637945.db2.gz CMWYFMBODDZMHB-UHFFFAOYSA-N 0 0 441.893 3.442 40 5 IGBBRN CC[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521442 568650260 /nfs/dbraw/zinc/65/02/60/568650260.db2.gz VQUZWKGZMWRYNE-SFHVURJKSA-N 0 0 443.591 3.322 40 5 IGBBRN CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536268 568651757 /nfs/dbraw/zinc/65/17/57/568651757.db2.gz SZRXMKMTXKSMTK-HNNXBMFYSA-N 0 0 431.580 3.096 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222547391 568652383 /nfs/dbraw/zinc/65/23/83/568652383.db2.gz OEEIFVLRLHRRQK-OAHLLOKOSA-N 0 0 443.428 3.065 40 5 IGBBRN CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000138858750 569120872 /nfs/dbraw/zinc/12/08/72/569120872.db2.gz QDQZJGXAAXBFHW-UHFFFAOYSA-N 0 0 429.429 3.284 40 5 IGBBRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017095908 569172937 /nfs/dbraw/zinc/17/29/37/569172937.db2.gz WCSOQHSYGOLZET-UHFFFAOYSA-N 0 0 428.514 3.429 40 5 IGBBRN CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224654950 569178581 /nfs/dbraw/zinc/17/85/81/569178581.db2.gz KUKJTUGBYZEHLJ-LJQANCHMSA-N 0 0 433.530 3.277 40 5 IGBBRN CCN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747162 569184729 /nfs/dbraw/zinc/18/47/29/569184729.db2.gz OZMQKZVTPIPJSX-UHFFFAOYSA-N 0 0 432.239 3.415 40 5 IGBBRN COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224763473 569185932 /nfs/dbraw/zinc/18/59/32/569185932.db2.gz IONBAYPUEWNZOW-UHFFFAOYSA-N 0 0 434.470 3.285 40 5 IGBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224965305 569204304 /nfs/dbraw/zinc/20/43/04/569204304.db2.gz KAMCQEYBDXQDJF-UHFFFAOYSA-N 0 0 442.877 3.324 40 5 IGBBRN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224972123 569204750 /nfs/dbraw/zinc/20/47/50/569204750.db2.gz WGKQOPJQOUUVKC-MRXNPFEDSA-N 0 0 446.529 3.378 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000108978896 569253296 /nfs/dbraw/zinc/25/32/96/569253296.db2.gz BVFUDZWOBQLDIA-UHFFFAOYSA-N 0 0 439.472 3.456 40 5 IGBBRN O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1Cl)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000065090381 569292819 /nfs/dbraw/zinc/29/28/19/569292819.db2.gz XBDPBZUTVSJIRX-AWEZNQCLSA-N 0 0 441.271 3.385 40 5 IGBBRN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCCO)cc1 ZINC000013304885 569312945 /nfs/dbraw/zinc/31/29/45/569312945.db2.gz GVGOXIRZJQMOSI-ZHZULCJRSA-N 0 0 435.436 3.043 40 5 IGBBRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000019643563 569324897 /nfs/dbraw/zinc/32/48/97/569324897.db2.gz UDNPRHCFMJFVIE-UHFFFAOYSA-N 0 0 445.526 3.253 40 5 IGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860323 569330764 /nfs/dbraw/zinc/33/07/64/569330764.db2.gz QYKIBCMMPUJRQR-OAHLLOKOSA-N 0 0 437.905 3.429 40 5 IGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020528527 569371565 /nfs/dbraw/zinc/37/15/65/569371565.db2.gz HLQMDROIOHMORQ-RUDMXATFSA-N 0 0 448.401 3.458 40 5 IGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225536624 569403729 /nfs/dbraw/zinc/40/37/29/569403729.db2.gz VZRDWOLBLCMIGV-LBPRGKRZSA-N 0 0 441.868 3.427 40 5 IGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225716891 569407454 /nfs/dbraw/zinc/40/74/54/569407454.db2.gz FNIFXODQACYBEL-LJQANCHMSA-N 0 0 443.500 3.314 40 5 IGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000038755160 569468810 /nfs/dbraw/zinc/46/88/10/569468810.db2.gz BGJZYUTWLPAMPE-GOSISDBHSA-N 0 0 449.529 3.273 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000039013574 569470041 /nfs/dbraw/zinc/47/00/41/569470041.db2.gz KKJOXLNCYXBXRS-UHFFFAOYSA-N 0 0 438.509 3.188 40 5 IGBBRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000022230211 523797752 /nfs/dbraw/zinc/79/77/52/523797752.db2.gz JLUAPLBRHJDIPO-SFHVURJKSA-N 0 0 433.486 3.012 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] ZINC000408673276 556062698 /nfs/dbraw/zinc/06/26/98/556062698.db2.gz ZJMFFCFUELRDJZ-MRXNPFEDSA-N 0 0 425.441 3.055 40 5 IGBBRN CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640706 556413040 /nfs/dbraw/zinc/41/30/40/556413040.db2.gz FJHDNHFMBNRDHE-OALUTQOASA-N 0 0 445.522 3.072 40 5 IGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O ZINC000408652937 556613185 /nfs/dbraw/zinc/61/31/85/556613185.db2.gz PGBUYHUXIQAXSK-GDBMZVCRSA-N 0 0 426.425 3.079 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000408686598 556616343 /nfs/dbraw/zinc/61/63/43/556616343.db2.gz SCAHEMXUZBEZOE-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408682159 556616665 /nfs/dbraw/zinc/61/66/65/556616665.db2.gz JBYZDOARCHERDW-VMRPVKRXSA-N 0 0 447.447 3.032 40 5 IGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408687771 556617193 /nfs/dbraw/zinc/61/71/93/556617193.db2.gz VBKTWRGSWIEQHA-UHFFFAOYSA-N 0 0 446.375 3.357 40 5 IGBBRN O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409176492 556631793 /nfs/dbraw/zinc/63/17/93/556631793.db2.gz PDHLMHPSTBCGOD-JOCHJYFZSA-N 0 0 444.399 3.358 40 5 IGBBRN Cc1c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220024675 556644917 /nfs/dbraw/zinc/64/49/17/556644917.db2.gz AIVMQYYDNSZJCI-UHFFFAOYSA-N 0 0 431.392 3.327 40 5 IGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716526 556714796 /nfs/dbraw/zinc/71/47/96/556714796.db2.gz HYKCDCUUHVCYJC-SFHVURJKSA-N 0 0 435.502 3.404 40 5 IGBBRN COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)c1 ZINC000001360254 556787446 /nfs/dbraw/zinc/78/74/46/556787446.db2.gz FWSDNTPJECFDDI-HNNXBMFYSA-N 0 0 444.469 3.222 40 5 IGBBRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000409003211 556916916 /nfs/dbraw/zinc/91/69/16/556916916.db2.gz RLYFSMQJUQBLAC-IBGZPJMESA-N 0 0 448.497 3.022 40 5 IGBBRN COc1cc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC ZINC000409021619 556922517 /nfs/dbraw/zinc/92/25/17/556922517.db2.gz QMDGBJZOCKHTSJ-UHFFFAOYSA-N 0 0 443.456 3.112 40 5 IGBBRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014707525 557124347 /nfs/dbraw/zinc/12/43/47/557124347.db2.gz YWHVMCTWKMSPAN-UHFFFAOYSA-N 0 0 446.891 3.174 40 5 IGBBRN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2 ZINC000100831031 557189787 /nfs/dbraw/zinc/18/97/87/557189787.db2.gz UZYQQRHVDXDQNW-LZWOXQAQSA-N 0 0 439.474 3.140 40 5 IGBBRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408559636 557416801 /nfs/dbraw/zinc/41/68/01/557416801.db2.gz ALKILQDEAICESU-UHFFFAOYSA-N 0 0 435.502 3.163 40 5 IGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(CC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572587 557420188 /nfs/dbraw/zinc/42/01/88/557420188.db2.gz 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Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000260592263 557242718 /nfs/dbraw/zinc/24/27/18/557242718.db2.gz SEYACIYYNQCSDC-BEFAXECRSA-N 0 0 431.514 3.252 40 5 IGBBRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000101444974 557285427 /nfs/dbraw/zinc/28/54/27/557285427.db2.gz IHGXQWDGNSOYBF-YSFYHYPLSA-N 0 0 445.475 3.463 40 5 IGBBRN Cc1ccc2nc3nc(NC[C@H]4CCCO4)c(C(=O)NC4CCCCC4)cc3c(=O)n2c1 ZINC000013151260 557302778 /nfs/dbraw/zinc/30/27/78/557302778.db2.gz GRYLWIJORZIPNU-QGZVFWFLSA-N 0 0 435.528 3.205 40 5 IGBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000102690725 557364167 /nfs/dbraw/zinc/36/41/67/557364167.db2.gz GOHDMJMWXUVVEM-KZNAEPCWSA-N 0 0 447.278 3.437 40 5 IGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220749413 557365480 /nfs/dbraw/zinc/36/54/80/557365480.db2.gz SAQMSBMMJOKHJG-INIZCTEOSA-N 0 0 441.893 3.440 40 5 IGBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408532049 557415252 /nfs/dbraw/zinc/41/52/52/557415252.db2.gz NDKNSOVBGXSTBW-IUXPMGMMSA-N 0 0 442.428 3.161 40 5 IGBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 ZINC000408566222 557418254 /nfs/dbraw/zinc/41/82/54/557418254.db2.gz FCIJVWMXHWVGCL-SFHVURJKSA-N 0 0 428.470 3.481 40 5 IGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(Cl)cc1 ZINC000408661462 557427183 /nfs/dbraw/zinc/42/71/83/557427183.db2.gz XCWQXZMLLYEBLQ-UHFFFAOYSA-N 0 0 429.816 3.027 40 5 IGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-] ZINC000408665424 557427206 /nfs/dbraw/zinc/42/72/06/557427206.db2.gz FEQZPFIXXOHMID-CQSZACIVSA-N 0 0 445.859 3.400 40 5 IGBBRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000028208211 557650736 /nfs/dbraw/zinc/65/07/36/557650736.db2.gz UFMLXAHAWOALCY-UHFFFAOYSA-N 0 0 441.893 3.296 40 5 IGBBRN CS(=O)(=O)N(CCCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000222363624 568638231 /nfs/dbraw/zinc/63/82/31/568638231.db2.gz XWBKUTSLSPGEOG-UHFFFAOYSA-N 0 0 425.894 3.111 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000222376922 568639769 /nfs/dbraw/zinc/63/97/69/568639769.db2.gz INIJRPXDTPZTCS-UHFFFAOYSA-N 0 0 431.514 3.429 40 5 IGBBRN CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536977 568651744 /nfs/dbraw/zinc/65/17/44/568651744.db2.gz ODDGQXOPJPRQMR-MRXNPFEDSA-N 0 0 427.429 3.365 40 5 IGBBRN CCCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000261365887 568733746 /nfs/dbraw/zinc/73/37/46/568733746.db2.gz WAKRZWWHSIDOJS-FQEVSTJZSA-O 0 0 438.489 3.460 40 5 IGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223472346 568839584 /nfs/dbraw/zinc/83/95/84/568839584.db2.gz CDFACQQTOSRXBU-KRWDZBQOSA-N 0 0 427.501 3.480 40 5 IGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCC1CCCCC1 ZINC000223527109 568861693 /nfs/dbraw/zinc/86/16/93/568861693.db2.gz APGFHMXPHGTKRL-UHFFFAOYSA-N 0 0 431.514 3.487 40 5 IGBBRN COc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br ZINC000016226673 568873421 /nfs/dbraw/zinc/87/34/21/568873421.db2.gz UQXUIDBYAMHKIL-UHFFFAOYSA-N 0 0 440.275 3.258 40 5 IGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223764373 568877162 /nfs/dbraw/zinc/87/71/62/568877162.db2.gz QTNRLWRYMPTDJP-AWEZNQCLSA-N 0 0 449.891 3.189 40 5 IGBBRN Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000138527398 568989391 /nfs/dbraw/zinc/98/93/91/568989391.db2.gz DIOGHQQYOCEPGX-INIZCTEOSA-N 0 0 425.441 3.055 40 5 IGBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000017094822 569172498 /nfs/dbraw/zinc/17/24/98/569172498.db2.gz UKLDQDMAKAYYQA-UHFFFAOYSA-N 0 0 426.473 3.061 40 5 IGBBRN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095388 569172857 /nfs/dbraw/zinc/17/28/57/569172857.db2.gz CYLCYGZUDRAEAF-UHFFFAOYSA-N 0 0 427.486 3.280 40 5 IGBBRN CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000225025783 569213739 /nfs/dbraw/zinc/21/37/39/569213739.db2.gz XTPCVWVXCZKRBD-MRXNPFEDSA-N 0 0 447.557 3.499 40 5 IGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(I)cc1 ZINC000225077204 569214292 /nfs/dbraw/zinc/21/42/92/569214292.db2.gz MQAMQIPWGVAKMY-UHFFFAOYSA-N 0 0 432.239 3.333 40 5 IGBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010128374 569221600 /nfs/dbraw/zinc/22/16/00/569221600.db2.gz IBRKYWDEBGSICP-OAQYLSRUSA-N 0 0 439.493 3.432 40 5 IGBBRN CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000260805368 569311467 /nfs/dbraw/zinc/31/14/67/569311467.db2.gz BRSNDEWCDAWDEE-HOTGVXAUSA-N 0 0 433.530 3.498 40 5 IGBBRN O=C(N/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCOCC1)c1ccccc1 ZINC000013305820 569312943 /nfs/dbraw/zinc/31/29/43/569312943.db2.gz OYZPRGAYENEAPQ-PGMHBOJBSA-N 0 0 447.447 3.485 40 5 IGBBRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Br ZINC000020410763 569363851 /nfs/dbraw/zinc/36/38/51/569363851.db2.gz ADHBPDXHXRPRON-UHFFFAOYSA-N 0 0 436.262 3.455 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225591847 569405189 /nfs/dbraw/zinc/40/51/89/569405189.db2.gz URWIVYQGBXFNEN-HNNXBMFYSA-N 0 0 447.463 3.063 40 5 IGBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225591878 569405206 /nfs/dbraw/zinc/40/52/06/569405206.db2.gz URWIVYQGBXFNEN-OAHLLOKOSA-N 0 0 447.463 3.063 40 5 IGBBRN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002683787 569416734 /nfs/dbraw/zinc/41/67/34/569416734.db2.gz LRBFHLHUNHPJNM-HXUWFJFHSA-N 0 0 425.441 3.325 40 5 IGBBRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004111592 569459428 /nfs/dbraw/zinc/45/94/28/569459428.db2.gz RRLRTYLZAZPELC-VOLVWJTLSA-N 0 0 449.500 3.318 40 5 IGBBRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000038261875 569462521 /nfs/dbraw/zinc/46/25/21/569462521.db2.gz ZOFVZKSRUXTOEA-HNNXBMFYSA-N 0 0 429.820 3.012 40 5 IGBBRN