smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000227882064 519841980 /nfs/dbraw/zinc/84/19/80/519841980.db2.gz LHLHQNJTOFCNRS-UHFFFAOYSA-N 0 2 278.308 2.611 20 5 CFBDLN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075162792 522018449 /nfs/dbraw/zinc/01/84/49/522018449.db2.gz XGQORFLZRYRCQJ-NXEZZACHSA-N 0 2 280.324 2.855 20 5 CFBDLN CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000157559823 523243609 /nfs/dbraw/zinc/24/36/09/523243609.db2.gz DGXKCHDRUSAZEJ-SNVBAGLBSA-N 0 2 278.308 2.563 20 5 CFBDLN CCc1occc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000435822662 535930024 /nfs/dbraw/zinc/93/00/24/535930024.db2.gz SLXMLRYFUMNSPP-UHFFFAOYSA-N 0 2 276.248 2.708 20 5 CFBDLN Cc1cccc2c1N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC[C@@H]2C ZINC000841242490 631367372 /nfs/dbraw/zinc/36/73/72/631367372.db2.gz IPTSFNYNPKIAAE-ZWKOPEQDSA-N 0 2 274.320 2.500 20 5 CFBDLN Cc1ccc(Cl)c2c1CCCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841253399 631369003 /nfs/dbraw/zinc/36/90/03/631369003.db2.gz PDUYFIMWBNJTKO-ZYHUDNBSSA-N 0 2 294.738 2.593 20 5 CFBDLN Cc1cc(C)c(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(C)c1 ZINC000842486503 631642188 /nfs/dbraw/zinc/64/21/88/631642188.db2.gz APBVJSRKOHQCLO-CHWSQXEVSA-N 0 2 287.319 2.718 20 5 CFBDLN CC(C)OCCONc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884512233 646409999 /nfs/dbraw/zinc/40/99/99/646409999.db2.gz AVMQUUJYLKXFBZ-UHFFFAOYSA-N 0 2 291.307 2.912 20 5 CFBDLN CC(C)OCCON=c1[nH]cc([N+](=O)[O-])c2ccccc21 ZINC000884512233 646410004 /nfs/dbraw/zinc/41/00/04/646410004.db2.gz AVMQUUJYLKXFBZ-UHFFFAOYSA-N 0 2 291.307 2.912 20 5 CFBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccncc1F ZINC001225619717 775526822 /nfs/dbraw/zinc/52/68/22/775526822.db2.gz HVVZLVARUJXRGL-MRVPVSSYSA-N 0 2 278.239 2.975 20 5 CFBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ncccc1F ZINC001225621000 775528154 /nfs/dbraw/zinc/52/81/54/775528154.db2.gz YWNWDSWGIPXJHA-MRVPVSSYSA-N 0 2 278.239 2.975 20 5 CFBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CC(F)(F)C1(F)F ZINC001225626759 775530174 /nfs/dbraw/zinc/53/01/74/775530174.db2.gz VGEVEWVOZSXGHW-SSDOTTSWSA-N 0 2 281.161 2.722 20 5 CFBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCCC[C@@H]1F ZINC001228975269 776674622 /nfs/dbraw/zinc/67/46/22/776674622.db2.gz YYIZPMJGCNIQQE-WPRPVWTQSA-N 0 2 271.244 2.666 20 5 CFBDLN CCCSc1nc(O[C@@H](C)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229795202 776893688 /nfs/dbraw/zinc/89/36/88/776893688.db2.gz GMGCMFWWZCZJFX-ZETCQYMHSA-N 0 2 299.352 2.770 20 5 CFBDLN C[C@@H](c1ccco1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157534734 232238597 /nfs/dbraw/zinc/23/85/97/232238597.db2.gz NMHIQZQDQNRYHO-VIFPVBQESA-N 0 2 290.275 2.727 20 5 CFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(C2CC2)CC1 ZINC000590428826 348900898 /nfs/dbraw/zinc/90/08/98/348900898.db2.gz OBZOGELRPULNMV-UHFFFAOYSA-N 0 2 290.319 2.563 20 5 CFBDLN CC1(C)CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000597491729 350103901 /nfs/dbraw/zinc/10/39/01/350103901.db2.gz PVCAMDFPLWATLH-VIFPVBQESA-N 0 2 264.281 2.675 20 5 CFBDLN C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597754109 350131980 /nfs/dbraw/zinc/13/19/80/350131980.db2.gz YBGSUWNTBDTSIH-SECBINFHSA-N 0 2 278.308 2.704 20 5 CFBDLN CCC(C)(C)[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597957182 350162958 /nfs/dbraw/zinc/16/29/58/350162958.db2.gz WENFQLNJIKZWOV-VIFPVBQESA-N 0 2 280.324 2.855 20 5 CFBDLN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000598251861 350225403 /nfs/dbraw/zinc/22/54/03/350225403.db2.gz WOQBNCXQUCDGRH-CQSZACIVSA-N 0 2 278.308 2.609 20 5 CFBDLN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598444995 350270252 /nfs/dbraw/zinc/27/02/52/350270252.db2.gz ONOXLPRVNRYOFN-FGWVZKOKSA-N 0 2 290.319 2.704 20 5 CFBDLN CCCCC1=NN(c2ccc([N+](=O)[O-])cn2)C(=O)[C@H]1C ZINC000601933775 350806551 /nfs/dbraw/zinc/80/65/51/350806551.db2.gz TVYRDNJOHJNPHF-VIFPVBQESA-N 0 2 276.296 2.519 20 5 CFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccsc1 ZINC000619777744 353066048 /nfs/dbraw/zinc/06/60/48/353066048.db2.gz VSYFALBCWSDYER-QMMMGPOBSA-N 0 2 292.316 2.853 20 5 CFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCC1 ZINC000456900420 299248449 /nfs/dbraw/zinc/24/84/49/299248449.db2.gz WMKMTGWUSIFZBK-VIFPVBQESA-N 0 2 278.308 2.609 20 5 CFBDLN CC/C(C)=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000297373728 200167021 /nfs/dbraw/zinc/16/70/21/200167021.db2.gz CYHXZYQELDAWFE-SOFGYWHQSA-N 0 2 250.254 2.595 20 5 CFBDLN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179461360 189195527 /nfs/dbraw/zinc/19/55/27/189195527.db2.gz CEMPEKCWWKYRRO-SNVBAGLBSA-N 0 2 278.308 2.563 20 5 CFBDLN CC[C@]1(C)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180773216 189274389 /nfs/dbraw/zinc/27/43/89/189274389.db2.gz LXUQQRPBNPPNJM-TVQRCGJNSA-N 0 2 264.281 2.675 20 5 CFBDLN CC(C)CCn1ccc(Nc2ncccc2[N+](=O)[O-])n1 ZINC000302007085 201295358 /nfs/dbraw/zinc/29/53/58/201295358.db2.gz AQXPUTOODDJLER-UHFFFAOYSA-N 0 2 275.312 2.976 20 5 CFBDLN Cc1cscc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436816550 240505411 /nfs/dbraw/zinc/50/54/11/240505411.db2.gz OXQDJAUGDWQRQC-UHFFFAOYSA-N 0 2 292.316 2.600 20 5 CFBDLN CC(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000444519493 241146057 /nfs/dbraw/zinc/14/60/57/241146057.db2.gz MCEOGBUSOQLARU-LLVKDONJSA-N 0 2 292.335 2.809 20 5 CFBDLN Cc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445196159 241209530 /nfs/dbraw/zinc/20/95/30/241209530.db2.gz WNGQODRAQXBARY-UHFFFAOYSA-N 0 2 298.258 2.721 20 5 CFBDLN CC(C)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000276601240 193395535 /nfs/dbraw/zinc/39/55/35/193395535.db2.gz ICGNYFDPMOQASE-UHFFFAOYSA-N 0 2 263.253 2.549 20 5 CFBDLN CCc1cnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000075182059 374466792 /nfs/dbraw/zinc/46/67/92/374466792.db2.gz KIBLEGMZQDCFKU-UHFFFAOYSA-N 0 2 293.304 2.572 20 5 CFBDLN Cc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000163961224 378998695 /nfs/dbraw/zinc/99/86/95/378998695.db2.gz PXMHXYVIHQENMM-UHFFFAOYSA-N 0 2 272.260 2.861 20 5 CFBDLN CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182026113 380966376 /nfs/dbraw/zinc/96/63/76/380966376.db2.gz VGVDXUWTJLRXRI-NSHDSACASA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182061273 380977436 /nfs/dbraw/zinc/97/74/36/380977436.db2.gz DJLPUBLRJYRAHS-HNNXBMFYSA-N 0 2 292.335 2.953 20 5 CFBDLN O=C(Nc1ccc(F)cc1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183298132 381252045 /nfs/dbraw/zinc/25/20/45/381252045.db2.gz SZEGPEVDCCYJNW-UHFFFAOYSA-N 0 2 294.213 2.831 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000183290312 381250411 /nfs/dbraw/zinc/25/04/11/381250411.db2.gz XXDUMHPNGIFQGI-UHFFFAOYSA-N 0 2 272.260 2.577 20 5 CFBDLN C[C@H](CCC1CC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354770244 381445534 /nfs/dbraw/zinc/44/55/34/381445534.db2.gz NBAADECHFUVMDL-SECBINFHSA-N 0 2 278.308 2.609 20 5 CFBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC(C)(C)C1 ZINC000412806245 381453699 /nfs/dbraw/zinc/45/36/99/381453699.db2.gz BQFNQCUBZOFNLL-UHFFFAOYSA-N 0 2 292.335 2.951 20 5 CFBDLN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185154474 381546910 /nfs/dbraw/zinc/54/69/10/381546910.db2.gz PGTJPDXSPNFMCM-NXEZZACHSA-N 0 2 278.308 2.704 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C1CCC1 ZINC000185067282 381528470 /nfs/dbraw/zinc/52/84/70/381528470.db2.gz PPGJHTBNMQPWHR-ZDUSSCGKSA-N 0 2 290.319 2.705 20 5 CFBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000384910213 382563215 /nfs/dbraw/zinc/56/32/15/382563215.db2.gz DEFSBSDTFZODMD-UHFFFAOYSA-N 0 2 292.335 2.857 20 5 CFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCC1 ZINC000457678426 383069790 /nfs/dbraw/zinc/06/97/90/383069790.db2.gz UHXCZABUGKZWMR-QMMMGPOBSA-N 0 2 264.281 2.675 20 5 CFBDLN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000436605423 383852813 /nfs/dbraw/zinc/85/28/13/383852813.db2.gz PHIATWUGHSGMPF-UHFFFAOYSA-N 0 2 298.298 2.765 20 5 CFBDLN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436667832 383868357 /nfs/dbraw/zinc/86/83/57/383868357.db2.gz ZLFRMNPANFEODW-OCCSQVGLSA-N 0 2 298.298 2.586 20 5 CFBDLN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280702492 296356664 /nfs/dbraw/zinc/35/66/64/296356664.db2.gz FTERTAFPHNFBBS-MWLCHTKSSA-N 0 2 278.308 2.609 20 5 CFBDLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000277275136 384253228 /nfs/dbraw/zinc/25/32/28/384253228.db2.gz BSIDFUPUUNKZKE-MUWHJKNJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000277275136 384253239 /nfs/dbraw/zinc/25/32/39/384253239.db2.gz BSIDFUPUUNKZKE-MUWHJKNJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1C ZINC000182045657 296379872 /nfs/dbraw/zinc/37/98/72/296379872.db2.gz OCZCCJNHHOAVIL-ZJUUUORDSA-N 0 2 278.308 2.561 20 5 CFBDLN Cc1ccsc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000356672107 130395348 /nfs/dbraw/zinc/39/53/48/130395348.db2.gz AAXCTKJVXZBFSS-UHFFFAOYSA-N 0 2 298.345 2.766 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccoc1Cl ZINC000192440089 393623563 /nfs/dbraw/zinc/62/35/63/393623563.db2.gz IRZWRKBHNLTYKB-UHFFFAOYSA-N 0 2 282.639 2.799 20 5 CFBDLN CCc1cnccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546279 393788764 /nfs/dbraw/zinc/78/87/64/393788764.db2.gz GDIBQSAOGIINRD-UHFFFAOYSA-N 0 2 287.275 2.510 20 5 CFBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000458196899 393869219 /nfs/dbraw/zinc/86/92/19/393869219.db2.gz YYJIIRAYMDIAOG-UHFFFAOYSA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@H](CCC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436819969 394024718 /nfs/dbraw/zinc/02/47/18/394024718.db2.gz FQCQHCIKNSGCHP-SECBINFHSA-N 0 2 278.308 2.609 20 5 CFBDLN CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436949764 394037621 /nfs/dbraw/zinc/03/76/21/394037621.db2.gz AZYABCZHEMQVJX-UHFFFAOYSA-N 0 2 292.316 2.634 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CC1CC1)CC1CC1 ZINC000436997672 394042048 /nfs/dbraw/zinc/04/20/48/394042048.db2.gz GWWALXIAXPJXPC-UHFFFAOYSA-N 0 2 290.319 2.563 20 5 CFBDLN C[C@@H](CCC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436937377 394035982 /nfs/dbraw/zinc/03/59/82/394035982.db2.gz IEIOCLHEULKJMN-VIFPVBQESA-N 0 2 278.308 2.609 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCS1 ZINC000228835312 397624811 /nfs/dbraw/zinc/62/48/11/397624811.db2.gz BIVCBIKSDFGIKH-LLVKDONJSA-N 0 2 282.321 2.525 20 5 CFBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C ZINC000356290600 155211269 /nfs/dbraw/zinc/21/12/69/155211269.db2.gz GERNZWUBAQGTAY-UHFFFAOYSA-N 0 2 289.291 2.508 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H]2CCCCC[C@@H]21 ZINC000375839257 157293179 /nfs/dbraw/zinc/29/31/79/157293179.db2.gz HXQDNVMQZVKWJU-MFKMUULPSA-N 0 2 290.319 2.705 20 5 CFBDLN CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000186627765 287051419 /nfs/dbraw/zinc/05/14/19/287051419.db2.gz VRWXKYOTGHESOA-LLVKDONJSA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000456819038 287110342 /nfs/dbraw/zinc/11/03/42/287110342.db2.gz LYHWUORBJOWXJE-WDEREUQCSA-N 0 2 292.335 2.951 20 5 CFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)(C)C1 ZINC000266912035 296920807 /nfs/dbraw/zinc/92/08/07/296920807.db2.gz DHHJCQNOHQPHTL-VIFPVBQESA-N 0 2 278.308 2.561 20 5 CFBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000184579198 262287367 /nfs/dbraw/zinc/28/73/67/262287367.db2.gz MNIHHWWYUYLRTL-UHFFFAOYSA-N 0 2 288.259 2.561 20 5 CFBDLN CC(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000180103975 279030531 /nfs/dbraw/zinc/03/05/31/279030531.db2.gz GXXLMZYKYHVQSZ-NSHDSACASA-N 0 2 292.335 2.809 20 5 CFBDLN CC(C)C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280764967 279215216 /nfs/dbraw/zinc/21/52/16/279215216.db2.gz BHYAMXCOUACOPF-LLVKDONJSA-N 0 2 292.335 2.809 20 5 CFBDLN CC(C)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000355036658 280375923 /nfs/dbraw/zinc/37/59/23/280375923.db2.gz XPLSKZHRMBEVPA-NSHDSACASA-N 0 2 292.335 2.809 20 5 CFBDLN CC(C)[C@H]1N(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1(C)C ZINC000350692980 280470017 /nfs/dbraw/zinc/47/00/17/280470017.db2.gz NHOAJSIHCYYICT-CYBMUJFWSA-N 0 2 292.335 2.807 20 5 CFBDLN COc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000163961459 280808220 /nfs/dbraw/zinc/80/82/20/280808220.db2.gz IJKNZLUJCYRTLZ-UHFFFAOYSA-N 0 2 288.259 2.561 20 5 CFBDLN CC1(C)CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436894050 281111378 /nfs/dbraw/zinc/11/13/78/281111378.db2.gz RPCRAVMTCITWQC-SECBINFHSA-N 0 2 278.308 2.609 20 5 CFBDLN CC[C@H]1C[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970125 288350200 /nfs/dbraw/zinc/35/02/00/288350200.db2.gz BZOLUGRQNCFNJA-UWVGGRQHSA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184814629 299887383 /nfs/dbraw/zinc/88/73/83/299887383.db2.gz GUXNCCBXFMYUCL-QWRGUYRKSA-N 0 2 292.335 2.951 20 5 CFBDLN CCO[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000361659954 520500765 /nfs/dbraw/zinc/50/07/65/520500765.db2.gz IYQTUKCZVVQOBS-CYBMUJFWSA-N 0 2 296.323 2.690 20 5 CFBDLN O=C(Nc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236563338 527398416 /nfs/dbraw/zinc/39/84/16/527398416.db2.gz SBBHRXYBEIYVFS-UHFFFAOYSA-N 0 2 258.233 2.553 20 5 CFBDLN O=C(NCCC1=CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000229982456 527621287 /nfs/dbraw/zinc/62/12/87/527621287.db2.gz ULJRWMSHKGLBAK-UHFFFAOYSA-N 0 2 276.292 2.531 20 5 CFBDLN CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000452528760 536074784 /nfs/dbraw/zinc/07/47/84/536074784.db2.gz OCQVOXKRIXZPBR-WDEREUQCSA-N 0 2 292.335 2.857 20 5 CFBDLN C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ncccn1 ZINC000821018235 622822268 /nfs/dbraw/zinc/82/22/68/622822268.db2.gz YJCLBRDVXMGIPF-CLFYSBASSA-N 0 2 257.249 2.651 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](F)c1ccccc1 ZINC000769611748 627461397 /nfs/dbraw/zinc/46/13/97/627461397.db2.gz DJQMVPXOLSPUER-CYBMUJFWSA-N 0 2 290.250 2.950 20 5 CFBDLN 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CC(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436966148 394039314 /nfs/dbraw/zinc/03/93/14/394039314.db2.gz MUMVFRKYBDGUTM-LLVKDONJSA-N 0 2 292.335 2.951 20 5 CFBDLN C[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280695005 394074178 /nfs/dbraw/zinc/07/41/78/394074178.db2.gz DUYZEIXWCHQHLG-UWVGGRQHSA-N 0 2 278.308 2.609 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC(C)(C)C1 ZINC000358057538 394095350 /nfs/dbraw/zinc/09/53/50/394095350.db2.gz GCJHPSLKSZGKLH-LLVKDONJSA-N 0 2 292.335 2.951 20 5 CFBDLN O=C(Nc1cccc(C2CC2)n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436886890 394031883 /nfs/dbraw/zinc/03/18/83/394031883.db2.gz MMTWGFMJUGTBNB-UHFFFAOYSA-N 0 2 299.286 2.825 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CC1CC1)C1CCC1 ZINC000436933490 394036218 /nfs/dbraw/zinc/03/62/18/394036218.db2.gz UHNTUKNQNZWCRR-UHFFFAOYSA-N 0 2 290.319 2.705 20 5 CFBDLN C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000286001125 394177373 /nfs/dbraw/zinc/17/73/73/394177373.db2.gz HIPASLTYCLETAB-MWLCHTKSSA-N 0 2 276.292 2.841 20 5 CFBDLN C[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000548119437 394912212 /nfs/dbraw/zinc/91/22/12/394912212.db2.gz RIGUIGMFTAGDCT-VIFPVBQESA-N 0 2 280.324 2.807 20 5 CFBDLN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000408081045 296538822 /nfs/dbraw/zinc/53/88/22/296538822.db2.gz ULVRSUWEEULZFJ-SNVBAGLBSA-N 0 2 292.335 2.809 20 5 CFBDLN O=C(NCC12CCC(CC1)C2)c1cc(O)ccc1[N+](=O)[O-] ZINC000367519673 156344012 /nfs/dbraw/zinc/34/40/12/156344012.db2.gz PTIJIPITQWUPIW-UHFFFAOYSA-N 0 2 290.319 2.611 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(C2CCCC2)C1 ZINC000373714154 157023563 /nfs/dbraw/zinc/02/35/63/157023563.db2.gz KMWVKVPIIYUPLQ-UHFFFAOYSA-N 0 2 290.319 2.563 20 5 CFBDLN CC1(C)CCCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000408079597 157377292 /nfs/dbraw/zinc/37/72/92/157377292.db2.gz IBHFREZTYGYOEQ-UHFFFAOYSA-N 0 2 292.335 2.953 20 5 CFBDLN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408416489 157396687 /nfs/dbraw/zinc/39/66/87/157396687.db2.gz UKZOOOJNLYUFCH-OUAUKWLOSA-N 0 2 292.335 2.807 20 5 CFBDLN O=C(Nc1ccc(F)cc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000350938042 163113043 /nfs/dbraw/zinc/11/30/43/163113043.db2.gz HUDPWKRPISOAGB-UHFFFAOYSA-N 0 2 294.213 2.831 20 5 CFBDLN CC(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000133244451 279025886 /nfs/dbraw/zinc/02/58/86/279025886.db2.gz VOCWEMJFKNGAKW-LBPRGKRZSA-N 0 2 292.335 2.951 20 5 CFBDLN CC(C)C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000307773454 279215135 /nfs/dbraw/zinc/21/51/35/279215135.db2.gz KYSPPYJEEDQEOQ-LLVKDONJSA-N 0 2 292.335 2.809 20 5 CFBDLN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274766630 288238084 /nfs/dbraw/zinc/23/80/84/288238084.db2.gz HOXXLVBDRDJJJF-ZJUUUORDSA-N 0 2 278.308 2.704 20 5 CFBDLN Cc1cc(C)nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000119311752 280607226 /nfs/dbraw/zinc/60/72/26/280607226.db2.gz YBFHPFOQBPHPOB-UHFFFAOYSA-N 0 2 287.275 2.565 20 5 CFBDLN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000358078922 297505513 /nfs/dbraw/zinc/50/55/13/297505513.db2.gz FSORWFBWJQQLTG-SNVBAGLBSA-N 0 2 298.298 2.892 20 5 CFBDLN O=C(NC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000346170703 303720718 /nfs/dbraw/zinc/72/07/18/303720718.db2.gz AZDHTCZRVNJSNS-UHFFFAOYSA-N 0 2 298.298 2.720 20 5 CFBDLN O=C(NC1CCCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560529 303743320 /nfs/dbraw/zinc/74/33/20/303743320.db2.gz BFGSNJFYRDSOHZ-UHFFFAOYSA-N 0 2 278.308 2.753 20 5 CFBDLN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166072081 522346556 /nfs/dbraw/zinc/34/65/56/522346556.db2.gz IDCMDPKSLFXGAE-BDAKNGLRSA-N 0 2 266.297 2.921 20 5 CFBDLN C[C@@H]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000235357735 524382158 /nfs/dbraw/zinc/38/21/58/524382158.db2.gz IBFUOYJDTKPTRU-MNOVXSKESA-N 0 2 292.335 2.857 20 5 CFBDLN Cc1cc(C)nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000217316750 524585450 /nfs/dbraw/zinc/58/54/50/524585450.db2.gz SHAYCUPKRNIBBY-UHFFFAOYSA-N 0 2 287.275 2.565 20 5 CFBDLN C[C@@H]1CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000361654350 524640057 /nfs/dbraw/zinc/64/00/57/524640057.db2.gz KTUGNEXPBXFOOH-BDAKNGLRSA-N 0 2 264.281 2.675 20 5 CFBDLN Cc1ccsc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315989 525858103 /nfs/dbraw/zinc/85/81/03/525858103.db2.gz LINKEQNEOUBIIY-UHFFFAOYSA-N 0 2 292.316 2.600 20 5 CFBDLN C[C@@H](c1ccco1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078275660 526131736 /nfs/dbraw/zinc/13/17/36/526131736.db2.gz DVAPRHHUWLHEHC-VIFPVBQESA-N 0 2 290.275 2.727 20 5 CFBDLN Cc1cscc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315991 526467325 /nfs/dbraw/zinc/46/73/25/526467325.db2.gz HBWCCCFRIYIVRK-UHFFFAOYSA-N 0 2 292.316 2.600 20 5 CFBDLN Cn1cc(Cl)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166099802 527240559 /nfs/dbraw/zinc/24/05/59/527240559.db2.gz JNGCFOKGFJAUNZ-UHFFFAOYSA-N 0 2 295.682 2.545 20 5 CFBDLN CC[C@@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000452990884 535822627 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CSCc1cccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC000842490931 631644341 /nfs/dbraw/zinc/64/43/41/631644341.db2.gz DESLSJLQRGWVGR-GHMZBOCLSA-N 0 2 291.332 2.732 20 5 CFBDLN CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840342848 632657593 /nfs/dbraw/zinc/65/75/93/632657593.db2.gz OLDZDYZKDADSIE-VXGBXAGGSA-N 0 2 282.727 2.748 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)=C1CCC1 ZINC000819431362 633161066 /nfs/dbraw/zinc/16/10/66/633161066.db2.gz SZALACCMFNEIHP-UHFFFAOYSA-N 0 2 266.228 2.646 20 5 CFBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)NOCC1CCC1 ZINC000856342268 635785735 /nfs/dbraw/zinc/78/57/35/635785735.db2.gz GRVBDYAZXFRSNA-UHFFFAOYSA-N 0 2 296.348 2.535 20 5 CFBDLN O=C(Nc1nc(C2CCCCC2)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869699906 639355969 /nfs/dbraw/zinc/35/59/69/639355969.db2.gz BFMBIFIQSPTWKV-MWLCHTKSSA-N 0 2 295.364 2.795 20 5 CFBDLN Cc1cn2c(n1)[C@H](Oc1cccc(O)c1[N+](=O)[O-])CCC2 ZINC001225620095 775526772 /nfs/dbraw/zinc/52/67/72/775526772.db2.gz MIZSMDDBGKFXHU-GFCCVEGCSA-N 0 2 289.291 2.719 20 5 CFBDLN CSc1nc(O[C@@H](C)CC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624960 776248249 /nfs/dbraw/zinc/24/82/49/776248249.db2.gz KZIPCWBAPXSUOU-ZETCQYMHSA-N 0 2 287.341 2.626 20 5 CFBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1nccs1 ZINC001228972645 776674278 /nfs/dbraw/zinc/67/42/78/776674278.db2.gz BGRIANVVLTYOIC-LURJTMIESA-N 0 2 282.277 2.603 20 5 CFBDLN CC[C@@H](C)[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972182 776674809 /nfs/dbraw/zinc/67/48/09/776674809.db2.gz TZVZNCCNVKSVJR-SFYZADRCSA-N 0 2 255.270 2.819 20 5 CFBDLN CCCSc1nc(O[C@@H]2C=CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791431 776892889 /nfs/dbraw/zinc/89/28/89/776892889.db2.gz JWLOAMHETOJLMS-MRVPVSSYSA-N 0 2 297.336 2.690 20 5 CFBDLN CCCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001141462036 776966155 /nfs/dbraw/zinc/96/61/55/776966155.db2.gz GNEGVFKKYHXGMI-JTQLQIEISA-N 0 2 280.324 2.999 20 5 CFBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cccc1 ZINC000092546937 347631317 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C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccncc1 ZINC001225622931 775528353 /nfs/dbraw/zinc/52/83/53/775528353.db2.gz KHQPKUUCNWYCKW-SECBINFHSA-N 0 2 260.249 2.835 20 5 CFBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCc2cccnc21 ZINC001225620392 775528512 /nfs/dbraw/zinc/52/85/12/775528512.db2.gz PQECMBBXVHATKH-LLVKDONJSA-N 0 2 272.260 2.762 20 5 CFBDLN CCOC(=O)[C@@H](CC(C)C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621037 775529452 /nfs/dbraw/zinc/52/94/52/775529452.db2.gz ZREFYMNHWBHKLD-GFCCVEGCSA-N 0 2 297.307 2.657 20 5 CFBDLN CSc1nc(O[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625042 776248149 /nfs/dbraw/zinc/24/81/49/776248149.db2.gz MYIQGYRDQMFFNC-SFYZADRCSA-N 0 2 299.352 2.770 20 5 CFBDLN CSc1nc(OC2CCCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625099 776248467 /nfs/dbraw/zinc/24/84/67/776248467.db2.gz OXTUGBILJLAPHM-UHFFFAOYSA-N 0 2 285.325 2.524 20 5 CFBDLN CCC[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972353 776673995 /nfs/dbraw/zinc/67/39/95/776673995.db2.gz 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CCC1=NN(c2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@@H]1C ZINC000601937982 350809456 /nfs/dbraw/zinc/80/94/56/350809456.db2.gz DWDXYGJCZMKPGV-SSDOTTSWSA-N 0 2 281.699 2.997 20 5 CFBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1F ZINC000603921566 351192182 /nfs/dbraw/zinc/19/21/82/351192182.db2.gz WNZJIKQTBMWBTN-UHFFFAOYSA-N 0 2 299.261 2.875 20 5 CFBDLN O=C(Nc1ncc(Cl)s1)c1ccc([N+](=O)[O-])cc1O ZINC000613978081 352033869 /nfs/dbraw/zinc/03/38/69/352033869.db2.gz SUZZKTADEANPIK-UHFFFAOYSA-N 0 2 299.695 2.663 20 5 CFBDLN CCCC[C@H](C)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292005294 198131807 /nfs/dbraw/zinc/13/18/07/198131807.db2.gz MROQLRLPUUJCPO-JTQLQIEISA-N 0 2 280.324 2.951 20 5 CFBDLN CC[C@H](C)CONC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000292227283 198209952 /nfs/dbraw/zinc/20/99/52/198209952.db2.gz PIXKWUQRSYHKLJ-JTQLQIEISA-N 0 2 298.364 2.781 20 5 CFBDLN CC(C)CONC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000153347650 188076912 /nfs/dbraw/zinc/07/69/12/188076912.db2.gz LUVGEHXHNNPDOM-JTQLQIEISA-N 0 2 298.364 2.779 20 5 CFBDLN O=C(C[C@@H]1C=CCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000154022754 188118455 /nfs/dbraw/zinc/11/84/55/188118455.db2.gz OHUFDNMEFMLFBV-SECBINFHSA-N 0 2 262.265 2.595 20 5 CFBDLN Cc1c(NC(=O)N[C@@H](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000297545399 200223994 /nfs/dbraw/zinc/22/39/94/200223994.db2.gz UWKOQJFEKXMUCB-VIFPVBQESA-N 0 2 295.339 2.574 20 5 CFBDLN CC[C@@H](C)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176658400 189003246 /nfs/dbraw/zinc/00/32/46/189003246.db2.gz CZNBMSIYPAHLFO-SNVBAGLBSA-N 0 2 280.324 2.809 20 5 CFBDLN CCC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330609882 283608084 /nfs/dbraw/zinc/60/80/84/283608084.db2.gz MNPONTYFSVLOAP-LLVKDONJSA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180773179 189274673 /nfs/dbraw/zinc/27/46/73/189274673.db2.gz LXUQQRPBNPPNJM-NOZJJQNGSA-N 0 2 264.281 2.675 20 5 CFBDLN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1-c1ccccc1 ZINC000302206193 201395325 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O=C(NCC1=CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000295870660 381128406 /nfs/dbraw/zinc/12/84/06/381128406.db2.gz CTVDHFYEPPTTPU-UHFFFAOYSA-N 0 2 276.292 2.531 20 5 CFBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1O ZINC000184423358 381414622 /nfs/dbraw/zinc/41/46/22/381414622.db2.gz WZRVKDKCYWXYOU-UHFFFAOYSA-N 0 2 288.259 2.567 20 5 CFBDLN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186014684 381802788 /nfs/dbraw/zinc/80/27/88/381802788.db2.gz UZEPQNMPGYVVHZ-QMTHXVAHSA-N 0 2 278.308 2.921 20 5 CFBDLN CC(C)[C@H]1N(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000350745963 382018375 /nfs/dbraw/zinc/01/83/75/382018375.db2.gz FMVHXXHPMZJPJZ-CYBMUJFWSA-N 0 2 292.335 2.807 20 5 CFBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NOCC1CC1 ZINC000293784708 382278994 /nfs/dbraw/zinc/27/89/94/382278994.db2.gz NYKPIKDWNQEDMM-VIFPVBQESA-N 0 2 296.348 2.533 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC12CCCC2 ZINC000365540780 382408810 /nfs/dbraw/zinc/40/88/10/382408810.db2.gz 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ZINC000421802649 382928576 /nfs/dbraw/zinc/92/85/76/382928576.db2.gz OHROYKJZCCHUPJ-AEJSXWLSSA-N 0 2 276.292 2.675 20 5 CFBDLN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000457234738 382999011 /nfs/dbraw/zinc/99/90/11/382999011.db2.gz BCAWSBLGDDJMKL-ZUZCIYMTSA-N 0 2 292.335 2.999 20 5 CFBDLN CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000457300441 383016255 /nfs/dbraw/zinc/01/62/55/383016255.db2.gz TXDVSFSFCBTJAX-DZGCQCFKSA-N 0 2 292.335 2.855 20 5 CFBDLN CCSCC[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280895117 195018415 /nfs/dbraw/zinc/01/84/15/195018415.db2.gz HAXBWZAXHKSEFT-SECBINFHSA-N 0 2 298.364 2.562 20 5 CFBDLN O=C(NCCC1=CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280868454 195007831 /nfs/dbraw/zinc/00/78/31/195007831.db2.gz YDLKMSAONDKJOS-UHFFFAOYSA-N 0 2 290.319 2.921 20 5 CFBDLN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(C2CC2)[nH]1 ZINC000436472738 383820986 /nfs/dbraw/zinc/82/09/86/383820986.db2.gz ADYIEEYJEAKUSN-UHFFFAOYSA-N 0 2 292.320 2.588 20 5 CFBDLN O=[N+]([O-])c1ccc(O)cc1CSc1nc(C2CC2)n[nH]1 ZINC000436472738 383820987 /nfs/dbraw/zinc/82/09/87/383820987.db2.gz ADYIEEYJEAKUSN-UHFFFAOYSA-N 0 2 292.320 2.588 20 5 CFBDLN O=[N+]([O-])c1ccc(O)cc1CSc1n[nH]c(C2CC2)n1 ZINC000436472738 383820988 /nfs/dbraw/zinc/82/09/88/383820988.db2.gz ADYIEEYJEAKUSN-UHFFFAOYSA-N 0 2 292.320 2.588 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](CC2CC2)C1 ZINC000436723214 383880742 /nfs/dbraw/zinc/88/07/42/383880742.db2.gz SPQIPCAYZGVDGJ-NSHDSACASA-N 0 2 290.319 2.563 20 5 CFBDLN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281151602 195125918 /nfs/dbraw/zinc/12/59/18/195125918.db2.gz KZZBXQWPCNDYBT-CMPLNLGQSA-N 0 2 292.335 2.951 20 5 CFBDLN O=C(NC1CCCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280741911 385136378 /nfs/dbraw/zinc/13/63/78/385136378.db2.gz JYXQBLRDFLSTDI-UHFFFAOYSA-N 0 2 278.308 2.753 20 5 CFBDLN CC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000275244861 385965065 /nfs/dbraw/zinc/96/50/65/385965065.db2.gz OBVCZUQEMGTUDT-UHFFFAOYSA-N 0 2 263.253 2.648 20 5 CFBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000077616447 393700522 /nfs/dbraw/zinc/70/05/22/393700522.db2.gz SBHLTFLDLTWLFN-UWVGGRQHSA-N 0 2 278.308 2.561 20 5 CFBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c1 ZINC000092547573 393788963 /nfs/dbraw/zinc/78/89/63/393788963.db2.gz VGRMIWARDLSRRA-UHFFFAOYSA-N 0 2 288.259 2.567 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC(C)(C)C1 ZINC000458191829 393868510 /nfs/dbraw/zinc/86/85/10/393868510.db2.gz SYKKOGFFVKCLDJ-UHFFFAOYSA-N 0 2 278.308 2.561 20 5 CFBDLN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000416280504 393896225 /nfs/dbraw/zinc/89/62/25/393896225.db2.gz YKKHKBZAGVXFTH-QWRGUYRKSA-N 0 2 292.335 2.855 20 5 CFBDLN C[C@@H](C1CCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957501 394038931 /nfs/dbraw/zinc/03/89/31/394038931.db2.gz VTJUZFNXEGIULV-VIFPVBQESA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436988632 394042089 /nfs/dbraw/zinc/04/20/89/394042089.db2.gz MGMOSXQBSOGQSW-VWYCJHECSA-N 0 2 292.335 2.807 20 5 CFBDLN CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274869772 394045522 /nfs/dbraw/zinc/04/55/22/394045522.db2.gz LWEWMJRHLHQQLG-CYBMUJFWSA-N 0 2 292.335 2.951 20 5 CFBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000281130665 394075673 /nfs/dbraw/zinc/07/56/73/394075673.db2.gz JAHWOKAADVANKI-UHFFFAOYSA-N 0 2 278.308 2.705 20 5 CFBDLN CC(C)(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436839541 394027923 /nfs/dbraw/zinc/02/79/23/394027923.db2.gz QDMVHKHKAZOHPJ-JTQLQIEISA-N 0 2 292.335 2.809 20 5 CFBDLN O=[N+]([O-])c1cc(-c2nc3c(cccc3F)[nH]2)ccc1O ZINC000154745472 394301650 /nfs/dbraw/zinc/30/16/50/394301650.db2.gz VIGCVJHFNWXOFY-UHFFFAOYSA-N 0 2 273.223 2.983 20 5 CFBDLN Cc1nc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000155954624 394326488 /nfs/dbraw/zinc/32/64/88/394326488.db2.gz BQAHWXVSHSLLPR-UHFFFAOYSA-N 0 2 293.304 2.626 20 5 CFBDLN CCc1cnc(NC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000343161749 154129213 /nfs/dbraw/zinc/12/92/13/154129213.db2.gz PSPNRIAKVVMZIC-UHFFFAOYSA-N 0 2 293.304 2.572 20 5 CFBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000355497927 155025316 /nfs/dbraw/zinc/02/53/16/155025316.db2.gz CKERFFVUZJHRQF-SNVBAGLBSA-N 0 2 292.335 2.951 20 5 CFBDLN C[C@H]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000300292808 300071983 /nfs/dbraw/zinc/07/19/83/300071983.db2.gz FBCZOPIMQAITMS-MGCOHNPYSA-N 0 2 278.308 2.609 20 5 CFBDLN CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000029468596 171599583 /nfs/dbraw/zinc/59/95/83/171599583.db2.gz CAFYNKGEFQMGKE-UHFFFAOYSA-N 0 2 252.270 2.819 20 5 CFBDLN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000187396722 287360882 /nfs/dbraw/zinc/36/08/82/287360882.db2.gz DJUSFNAIHJWMKL-BXKDBHETSA-N 0 2 278.308 2.561 20 5 CFBDLN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187470090 287361239 /nfs/dbraw/zinc/36/12/39/287361239.db2.gz 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ZINC000183496001 189360390 /nfs/dbraw/zinc/36/03/90/189360390.db2.gz SIJYJZLIAUNXHF-VIFPVBQESA-N 0 2 290.319 2.704 20 5 CFBDLN CC(C)CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183908541 189370940 /nfs/dbraw/zinc/37/09/40/189370940.db2.gz GHCAIUSTMIVWBR-UHFFFAOYSA-N 0 2 252.270 2.675 20 5 CFBDLN Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000016504975 372108196 /nfs/dbraw/zinc/10/81/96/372108196.db2.gz KKIZCKKKQUSCLX-UHFFFAOYSA-N 0 2 272.260 2.861 20 5 CFBDLN CC(C)CCO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546486 375121589 /nfs/dbraw/zinc/12/15/89/375121589.db2.gz TUZMJLYZLVLZRS-JTQLQIEISA-N 0 2 296.323 2.690 20 5 CFBDLN C[C@@H]1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000217315797 296288181 /nfs/dbraw/zinc/28/81/81/296288181.db2.gz NFWUWGALNVPMTB-UWVGGRQHSA-N 0 2 292.335 2.855 20 5 CFBDLN CSCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176263909 380205667 /nfs/dbraw/zinc/20/56/67/380205667.db2.gz ALBPRUAJZXZJBM-VIFPVBQESA-N 0 2 298.364 2.514 20 5 CFBDLN C[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182067020 380981145 /nfs/dbraw/zinc/98/11/45/380981145.db2.gz AUHKXSQKYGKXER-ZJUUUORDSA-N 0 2 278.308 2.561 20 5 CFBDLN CCc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000181912067 380935122 /nfs/dbraw/zinc/93/51/22/380935122.db2.gz YTZWLEVJIYKHSW-UHFFFAOYSA-N 0 2 287.275 2.510 20 5 CFBDLN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183346682 381258058 /nfs/dbraw/zinc/25/80/58/381258058.db2.gz JQCFQCLGFAGHBI-JTQLQIEISA-N 0 2 298.298 2.892 20 5 CFBDLN CC1(C)CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000354532355 381325085 /nfs/dbraw/zinc/32/50/85/381325085.db2.gz ZHYRKKQHQOGQSM-UHFFFAOYSA-N 0 2 264.281 2.675 20 5 CFBDLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000290329176 381386538 /nfs/dbraw/zinc/38/65/38/381386538.db2.gz JGYUDBIUPSQBTP-HZGVNTEJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000290329176 381386545 /nfs/dbraw/zinc/38/65/45/381386545.db2.gz JGYUDBIUPSQBTP-HZGVNTEJSA-N 0 2 294.204 2.672 20 5 CFBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)sc1C ZINC000184668897 381456693 /nfs/dbraw/zinc/45/66/93/381456693.db2.gz VJEAURFPVIRZET-UHFFFAOYSA-N 0 2 293.304 2.626 20 5 CFBDLN C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000300295247 382060327 /nfs/dbraw/zinc/06/03/27/382060327.db2.gz NFWUWGALNVPMTB-URLYPYJESA-N 0 2 292.335 2.855 20 5 CFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000350938576 382019910 /nfs/dbraw/zinc/01/99/10/382019910.db2.gz KBPHNDHGOJILGJ-UHFFFAOYSA-N 0 2 284.271 2.503 20 5 CFBDLN CC[C@@H](C)CN(CC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187672559 382243009 /nfs/dbraw/zinc/24/30/09/382243009.db2.gz WHGDJIOACGVJHB-SNVBAGLBSA-N 0 2 280.324 2.809 20 5 CFBDLN CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000221012080 382796705 /nfs/dbraw/zinc/79/67/05/382796705.db2.gz SIEDLSDMBRFSSI-UHFFFAOYSA-N 0 2 264.281 2.819 20 5 CFBDLN O=C(NC12CCC(CC1)CC2)c1cccc(O)c1[N+](=O)[O-] ZINC000456266231 382955801 /nfs/dbraw/zinc/95/58/01/382955801.db2.gz CJZPZZNXZHZLFJ-UHFFFAOYSA-N 0 2 290.319 2.753 20 5 CFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCC1 ZINC000457678425 383069169 /nfs/dbraw/zinc/06/91/69/383069169.db2.gz UHXCZABUGKZWMR-MRVPVSSYSA-N 0 2 264.281 2.675 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](CC2CC2)C1 ZINC000436716044 383878272 /nfs/dbraw/zinc/87/82/72/383878272.db2.gz NYKILKPAJMZUEL-LLVKDONJSA-N 0 2 290.319 2.563 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1c1ccccc1 ZINC000436972843 383897219 /nfs/dbraw/zinc/89/72/19/383897219.db2.gz QKGZNMLPZVXRBJ-AWEZNQCLSA-N 0 2 298.298 2.888 20 5 CFBDLN CCCCN(CC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280734043 385133498 /nfs/dbraw/zinc/13/34/98/385133498.db2.gz IXFFMGGYUAWZQC-UHFFFAOYSA-N 0 2 266.297 2.563 20 5 CFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1C1CCC1 ZINC000282973228 385418567 /nfs/dbraw/zinc/41/85/67/385418567.db2.gz GMKKCDKGMPCFHN-LBPRGKRZSA-N 0 2 290.319 2.705 20 5 CFBDLN CCC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272443329 385538059 /nfs/dbraw/zinc/53/80/59/385538059.db2.gz UXKOWWBUJBFCAM-UHFFFAOYSA-N 0 2 292.335 2.953 20 5 CFBDLN CN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194744152 393715931 /nfs/dbraw/zinc/71/59/31/393715931.db2.gz GSCCNRMDWTVOLT-UHFFFAOYSA-N 0 2 292.335 2.953 20 5 CFBDLN CCc1ncsc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119313225 393918655 /nfs/dbraw/zinc/91/86/55/393918655.db2.gz JNQGRTIENYEZSU-UHFFFAOYSA-N 0 2 293.304 2.572 20 5 CFBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436861212 394029762 /nfs/dbraw/zinc/02/97/62/394029762.db2.gz JOULXMWQZITLHV-UHFFFAOYSA-N 0 2 286.287 2.539 20 5 CFBDLN C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000285887751 394160928 /nfs/dbraw/zinc/16/09/28/394160928.db2.gz XFRHEPMPZARGBT-MWLCHTKSSA-N 0 2 276.292 2.841 20 5 CFBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1(C)C ZINC000274209977 296540573 /nfs/dbraw/zinc/54/05/73/296540573.db2.gz NFMHREAFWNGQEB-SNVBAGLBSA-N 0 2 292.335 2.809 20 5 CFBDLN C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000408416786 299744995 /nfs/dbraw/zinc/74/49/95/299744995.db2.gz WAOGJHKNIZQIRC-JTQLQIEISA-N 0 2 278.308 2.705 20 5 CFBDLN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182067065 296685629 /nfs/dbraw/zinc/68/56/29/296685629.db2.gz AUHKXSQKYGKXER-VHSXEESVSA-N 0 2 278.308 2.561 20 5 CFBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(C)(C)C ZINC000436968226 286897743 /nfs/dbraw/zinc/89/77/43/286897743.db2.gz TYFZSGPJMDESBT-GFCCVEGCSA-N 0 2 280.324 2.855 20 5 CFBDLN O=C(Nc1cc(Cl)ccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351818627 163197691 /nfs/dbraw/zinc/19/76/91/163197691.db2.gz HOLYIXLGWUYSIQ-UHFFFAOYSA-N 0 2 293.666 2.601 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](C2CC2)C1 ZINC000292124616 304503738 /nfs/dbraw/zinc/50/37/38/304503738.db2.gz QVCMXAFLMXNEIZ-LLVKDONJSA-N 0 2 290.319 2.563 20 5 CFBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC1 ZINC000325205902 270299002 /nfs/dbraw/zinc/29/90/02/270299002.db2.gz IZVFOQMTXPIIPT-LBPRGKRZSA-N 0 2 292.335 2.999 20 5 CFBDLN CC(C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274655307 280381418 /nfs/dbraw/zinc/38/14/18/280381418.db2.gz UADUBNMQYJYRLP-GFCCVEGCSA-N 0 2 278.308 2.561 20 5 CFBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC000566866735 290423970 /nfs/dbraw/zinc/42/39/70/290423970.db2.gz PJSKCZFEHZKAAD-UHFFFAOYSA-N 0 2 266.297 2.561 20 5 CFBDLN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1(C)C ZINC000274157106 299954298 /nfs/dbraw/zinc/95/42/98/299954298.db2.gz GSOKVJPHTCYWBH-JTQLQIEISA-N 0 2 292.335 2.809 20 5 CFBDLN C[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436878451 300068694 /nfs/dbraw/zinc/06/86/94/300068694.db2.gz SLKKYRYPLYTECT-UWVGGRQHSA-N 0 2 278.308 2.561 20 5 CFBDLN COc1csc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183919891 323930817 /nfs/dbraw/zinc/93/08/17/323930817.db2.gz LNIBYTISCMFMPX-UHFFFAOYSA-N 0 2 294.288 2.623 20 5 CFBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCS3)no2)cc1O ZINC000350647595 324250674 /nfs/dbraw/zinc/25/06/74/324250674.db2.gz SJTKTQVMEZXQAO-SNVBAGLBSA-N 0 2 293.304 2.919 20 5 CFBDLN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000092545903 524273256 /nfs/dbraw/zinc/27/32/56/524273256.db2.gz NNJXLPBLQFEFDU-UHFFFAOYSA-N 0 2 292.316 2.852 20 5 CFBDLN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000361654361 524564417 /nfs/dbraw/zinc/56/44/17/524564417.db2.gz KTUGNEXPBXFOOH-RKDXNWHRSA-N 0 2 264.281 2.675 20 5 CFBDLN Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000227771302 524586762 /nfs/dbraw/zinc/58/67/62/524586762.db2.gz GQRTXZMAOHUHSO-UHFFFAOYSA-N 0 2 287.275 2.565 20 5 CFBDLN C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000226654180 524612671 /nfs/dbraw/zinc/61/26/71/524612671.db2.gz QZSDVZIRZBKEJJ-JFGNBEQYSA-N 0 2 292.335 2.855 20 5 CFBDLN C[C@@H]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000300293249 524613149 /nfs/dbraw/zinc/61/31/49/524613149.db2.gz GCWISZLFLOYEHG-GMTAPVOTSA-N 0 2 292.335 2.855 20 5 CFBDLN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000361323642 526160980 /nfs/dbraw/zinc/16/09/80/526160980.db2.gz DJUBMMPXWAVMPM-UHFFFAOYSA-N 0 2 298.298 2.765 20 5 CFBDLN O=C(CCCC(F)(F)F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361657326 526416022 /nfs/dbraw/zinc/41/60/22/526416022.db2.gz VQBUDLWJYORGIS-UHFFFAOYSA-N 0 2 292.213 2.972 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1Cc2ccccc21 ZINC000221013321 527132071 /nfs/dbraw/zinc/13/20/71/527132071.db2.gz KBXOPNIUHIORPG-LBPRGKRZSA-N 0 2 284.271 2.579 20 5 CFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccco1 ZINC000364874977 527236542 /nfs/dbraw/zinc/23/65/42/527236542.db2.gz FDCGKJZGMIZKCI-ZJUUUORDSA-N 0 2 288.259 2.636 20 5 CFBDLN O=C(NCCC1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560752 527631873 /nfs/dbraw/zinc/63/18/73/527631873.db2.gz ZWCGJFKEXPVWIJ-UHFFFAOYSA-N 0 2 278.308 2.611 20 5 CFBDLN CC(C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCC1 ZINC000456177311 535241597 /nfs/dbraw/zinc/24/15/97/535241597.db2.gz ZDRCNUCLICAGPG-UHFFFAOYSA-N 0 2 278.308 2.609 20 5 CFBDLN Cc1ccc(N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CCC2)cc1 ZINC000894230678 619272552 /nfs/dbraw/zinc/27/25/52/619272552.db2.gz KVURKHZPAAYHRJ-ZIAGYGMSSA-N 0 2 274.320 2.546 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](F)c1ccccc1 ZINC000769611749 627461204 /nfs/dbraw/zinc/46/12/04/627461204.db2.gz DJQMVPXOLSPUER-ZDUSSCGKSA-N 0 2 290.250 2.950 20 5 CFBDLN Cc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000780995030 628511628 /nfs/dbraw/zinc/51/16/28/628511628.db2.gz YUJZXRVOCGGZNX-UHFFFAOYSA-N 0 2 287.275 2.565 20 5 CFBDLN CCSc1cccc(F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841237031 631365514 /nfs/dbraw/zinc/36/55/14/631365514.db2.gz HIJQHHFXPCXSCU-VXNVDRBHSA-N 0 2 284.312 2.541 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000841729645 631460757 /nfs/dbraw/zinc/46/07/57/631460757.db2.gz HWQUTPWXYFEHOH-RKDXNWHRSA-N 0 2 299.208 2.888 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CSCc2ccccc2)no1 ZINC000842496589 631645904 /nfs/dbraw/zinc/64/59/04/631645904.db2.gz YZDVEXQKRVCCIB-GHMZBOCLSA-N 0 2 291.332 2.636 20 5 CFBDLN Cc1ccccc1[C@H](C)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842500057 631647109 /nfs/dbraw/zinc/64/71/09/631647109.db2.gz JEWOGTJGVDKVLV-MVWJERBFSA-N 0 2 273.292 2.662 20 5 CFBDLN Cc1ccc(N(CC(C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC000844661626 632276560 /nfs/dbraw/zinc/27/65/60/632276560.db2.gz MVYUANDCTUBHKZ-UKRRQHHQSA-N 0 2 290.363 2.958 20 5 CFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCc2cc(Cl)ccc21 ZINC000857658022 636004895 /nfs/dbraw/zinc/00/48/95/636004895.db2.gz BOIOGIMQKZHZNF-DGCLKSJQSA-N 0 2 294.738 2.675 20 5 CFBDLN C[C@H](Cc1ccco1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619791 775526619 /nfs/dbraw/zinc/52/66/19/775526619.db2.gz IUMFUKDITOYXQE-SECBINFHSA-N 0 2 263.249 2.903 20 5 CFBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ncccc1F ZINC001225621013 775528696 /nfs/dbraw/zinc/52/86/96/775528696.db2.gz YWNWDSWGIPXJHA-QMMMGPOBSA-N 0 2 278.239 2.975 20 5 CFBDLN CSc1nc(O[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625040 776247735 /nfs/dbraw/zinc/24/77/35/776247735.db2.gz MYIQGYRDQMFFNC-HTQZYQBOSA-N 0 2 299.352 2.770 20 5 CFBDLN CC[C@@H](C)[C@@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624903 776248509 /nfs/dbraw/zinc/24/85/09/776248509.db2.gz IKPLPMOQYPSFLK-RNFRBKRXSA-N 0 2 287.341 2.626 20 5 CFBDLN C[C@@H](Cc1ccco1)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972631 776674166 /nfs/dbraw/zinc/67/41/66/776674166.db2.gz BCDAZLDZQJAQDD-QMMMGPOBSA-N 0 2 279.248 2.609 20 5 CFBDLN CCCSc1nc(OC2CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790578 776892811 /nfs/dbraw/zinc/89/28/11/776892811.db2.gz AGANLJDVRBSZRL-UHFFFAOYSA-N 0 2 299.352 2.914 20 5 CFBDLN CCCSc1nc(OC2CC=CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793099 776893363 /nfs/dbraw/zinc/89/33/63/776893363.db2.gz XBEFNFIZRYGYFG-UHFFFAOYSA-N 0 2 297.336 2.690 20 5 CFBDLN C[C@@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969858 778216484 /nfs/dbraw/zinc/21/64/84/778216484.db2.gz DDPCZIPYTFYPHQ-LDYMZIIASA-N 0 2 267.281 2.964 20 5 CFBDLN CCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273241649 192084022 /nfs/dbraw/zinc/08/40/22/192084022.db2.gz UJHHMAFICHAFQS-SECBINFHSA-N 0 2 266.297 2.561 20 5 CFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCCC1 ZINC000175344687 232310586 /nfs/dbraw/zinc/31/05/86/232310586.db2.gz FRMPARQJKCAWEL-JTQLQIEISA-N 0 2 292.335 2.999 20 5 CFBDLN C[C@@H]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000235317509 348225600 /nfs/dbraw/zinc/22/56/00/348225600.db2.gz FJAMRQDCDTXPGV-NRUUGDAUSA-N 0 2 292.335 2.855 20 5 CFBDLN CN(CCC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000592835558 349170290 /nfs/dbraw/zinc/17/02/90/349170290.db2.gz DGRVJODOATYOIE-UHFFFAOYSA-N 0 2 280.324 2.809 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](CCF)C1 ZINC000598223139 350220100 /nfs/dbraw/zinc/22/01/00/350220100.db2.gz 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C[C@@H](CC(C)(C)C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000457186305 382982096 /nfs/dbraw/zinc/98/20/96/382982096.db2.gz CUJIGBOWMVEDOE-VIFPVBQESA-N 0 2 280.324 2.855 20 5 CFBDLN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000457300447 383015884 /nfs/dbraw/zinc/01/58/84/383015884.db2.gz TXDVSFSFCBTJAX-ZFWWWQNUSA-N 0 2 292.335 2.855 20 5 CFBDLN CC[C@@H](CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000457660226 383064259 /nfs/dbraw/zinc/06/42/59/383064259.db2.gz FRPLDGZSNKGOEV-ZETCQYMHSA-N 0 2 288.250 2.920 20 5 CFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000425008756 383309997 /nfs/dbraw/zinc/30/99/97/383309997.db2.gz WWGNLBBSIMSTQH-JTQLQIEISA-N 0 2 292.335 2.999 20 5 CFBDLN CN(CC1CCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280820884 385167758 /nfs/dbraw/zinc/16/77/58/385167758.db2.gz RPKJARLCIRQYEK-UHFFFAOYSA-N 0 2 278.308 2.563 20 5 CFBDLN CC(=O)CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000191939589 130334048 /nfs/dbraw/zinc/33/40/48/130334048.db2.gz 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630577472 /nfs/dbraw/zinc/57/74/72/630577472.db2.gz BFIMUEHWEIWIQU-UHFFFAOYSA-N 0 2 298.298 2.812 20 5 CFBDLN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])onc1C1CCCCC1 ZINC000841238813 631366728 /nfs/dbraw/zinc/36/67/28/631366728.db2.gz YLUAKRNGMUSFTK-GHMZBOCLSA-N 0 2 293.323 2.634 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCC2CCCCC2)no1 ZINC000842491309 631644355 /nfs/dbraw/zinc/64/43/55/631644355.db2.gz QXYYYNZAKFKVMV-GHMZBOCLSA-N 0 2 265.313 2.715 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(C(F)F)c2)no1 ZINC000842498579 631646099 /nfs/dbraw/zinc/64/60/99/631646099.db2.gz FGKFDZNSDHJTKE-RKDXNWHRSA-N 0 2 281.218 2.807 20 5 CFBDLN CC(F)(F)c1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842506219 631648759 /nfs/dbraw/zinc/64/87/59/631648759.db2.gz GKEQQGNPAFPVTL-NXEZZACHSA-N 0 2 295.245 2.981 20 5 CFBDLN Cc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1Cl ZINC000842507711 631649928 /nfs/dbraw/zinc/64/99/28/631649928.db2.gz YSUBOUHWJZAMSL-PSASIEDQSA-N 0 2 279.683 2.831 20 5 CFBDLN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2S1 ZINC000840251934 631697240 /nfs/dbraw/zinc/69/72/40/631697240.db2.gz HHCNENIHOWAMMH-HOSYDEDBSA-N 0 2 292.360 2.569 20 5 CFBDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928245367 648887313 /nfs/dbraw/zinc/88/73/13/648887313.db2.gz OPDMTSURTPIHOP-HZGVNTEJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928245367 648887316 /nfs/dbraw/zinc/88/73/16/648887316.db2.gz OPDMTSURTPIHOP-HZGVNTEJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccnc1 ZINC001225619899 775526524 /nfs/dbraw/zinc/52/65/24/775526524.db2.gz JWHJRIJEWWSEHF-SECBINFHSA-N 0 2 260.249 2.835 20 5 CFBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1nccs1 ZINC001225619692 775527144 /nfs/dbraw/zinc/52/71/44/775527144.db2.gz HFNGMPWNCRDQGK-SSDOTTSWSA-N 0 2 266.278 2.897 20 5 CFBDLN CC(C)CCOC(=O)[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619964 775527309 /nfs/dbraw/zinc/52/73/09/775527309.db2.gz 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O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC12CC2 ZINC000599714418 350487735 /nfs/dbraw/zinc/48/77/35/350487735.db2.gz VNLNIOABDDVAQP-JTQLQIEISA-N 0 2 276.292 2.819 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC2(CC2)CC1 ZINC000600768973 350607744 /nfs/dbraw/zinc/60/77/44/350607744.db2.gz MOVQZMLEFZEXLF-UHFFFAOYSA-N 0 2 290.319 2.707 20 5 CFBDLN CCC1=NN(c2cccc([N+](=O)[O-])c2C)C(=O)[C@H]1C ZINC000601939481 350810357 /nfs/dbraw/zinc/81/03/57/350810357.db2.gz KZXHPZODKJPBIE-QMMMGPOBSA-N 0 2 261.281 2.652 20 5 CFBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1Cc1ccccc1 ZINC000603807636 351182584 /nfs/dbraw/zinc/18/25/84/351182584.db2.gz FMLZATQYHTVWOQ-UHFFFAOYSA-N 0 2 295.298 2.731 20 5 CFBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1Cc1ccccc1 ZINC000603807636 351182588 /nfs/dbraw/zinc/18/25/88/351182588.db2.gz FMLZATQYHTVWOQ-UHFFFAOYSA-N 0 2 295.298 2.731 20 5 CFBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000179433958 189194627 /nfs/dbraw/zinc/19/46/27/189194627.db2.gz YSJWQLQMUXXPSR-UHFFFAOYSA-N 0 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O=C(Nc1cc(C2CC2)ccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359661813 381541179 /nfs/dbraw/zinc/54/11/79/381541179.db2.gz BLANXEPOYOHZJZ-UHFFFAOYSA-N 0 2 299.286 2.825 20 5 CFBDLN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185154434 381547438 /nfs/dbraw/zinc/54/74/38/381547438.db2.gz PGTJPDXSPNFMCM-AOOOYVTPSA-N 0 2 278.308 2.704 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C2CC2)C1 ZINC000291037021 381642065 /nfs/dbraw/zinc/64/20/65/381642065.db2.gz YVSCMAKPABSRSW-LBPRGKRZSA-N 0 2 290.319 2.563 20 5 CFBDLN Cc1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000349244455 381862133 /nfs/dbraw/zinc/86/21/33/381862133.db2.gz DCXBKTBKCRGXCU-UHFFFAOYSA-N 0 2 272.260 2.861 20 5 CFBDLN Cc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000349246031 381863379 /nfs/dbraw/zinc/86/33/79/381863379.db2.gz KENBBQSOTYUHDJ-UHFFFAOYSA-N 0 2 272.260 2.861 20 5 CFBDLN CSCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186974120 382064356 /nfs/dbraw/zinc/06/43/56/382064356.db2.gz WMVMGHVOVMQYBA-UHFFFAOYSA-N 0 2 298.364 2.564 20 5 CFBDLN C[C@@H]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000300585211 382065742 /nfs/dbraw/zinc/06/57/42/382065742.db2.gz XWIZCPXZSRWQGV-MNOVXSKESA-N 0 2 292.335 2.999 20 5 CFBDLN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C ZINC000187049569 382085596 /nfs/dbraw/zinc/08/55/96/382085596.db2.gz JQOGETPKQNIVBN-UWVGGRQHSA-N 0 2 278.308 2.561 20 5 CFBDLN CCC[C@@H](CC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000362697987 382203565 /nfs/dbraw/zinc/20/35/65/382203565.db2.gz GERPKAHZZYCRDN-SECBINFHSA-N 0 2 266.297 2.609 20 5 CFBDLN CCc1csc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352269846 382256223 /nfs/dbraw/zinc/25/62/23/382256223.db2.gz YXFUURZQKAAZJU-UHFFFAOYSA-N 0 2 293.304 2.572 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CCCCC[C@H]21 ZINC000378082513 382396216 /nfs/dbraw/zinc/39/62/16/382396216.db2.gz HJXVMVBVTJYVSZ-VXGBXAGGSA-N 0 2 290.319 2.705 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC12CCCC2 ZINC000314300802 382525240 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633321253 /nfs/dbraw/zinc/32/12/53/633321253.db2.gz KHILKPZLMYXTPV-UHFFFAOYSA-N 0 2 299.327 2.546 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc(F)c(Cl)c2)no1 ZINC000858813833 636349750 /nfs/dbraw/zinc/34/97/50/636349750.db2.gz BHPNMSBDHRWAAL-GMSGAONNSA-N 0 2 297.673 2.586 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]1C1CCCC1 ZINC000889405655 647563034 /nfs/dbraw/zinc/56/30/34/647563034.db2.gz VEKHJTXMZAXUMJ-CYBMUJFWSA-N 0 2 290.319 2.705 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1C1CCCC1 ZINC000889405656 647563272 /nfs/dbraw/zinc/56/32/72/647563272.db2.gz VEKHJTXMZAXUMJ-ZDUSSCGKSA-N 0 2 290.319 2.705 20 5 CFBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccncc1F ZINC001225619718 775527573 /nfs/dbraw/zinc/52/75/73/775527573.db2.gz HVVZLVARUJXRGL-QMMMGPOBSA-N 0 2 278.239 2.975 20 5 CFBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CC(F)(F)C1(F)F ZINC001225626760 775530779 /nfs/dbraw/zinc/53/07/79/775530779.db2.gz VGEVEWVOZSXGHW-ZETCQYMHSA-N 0 2 281.161 2.722 20 5 CFBDLN 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O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cccc(F)c2Cl)no1 ZINC000842496264 631646132 /nfs/dbraw/zinc/64/61/32/631646132.db2.gz SFGPXAORXWACSD-VXNVDRBHSA-N 0 2 297.673 2.586 20 5 CFBDLN CCSc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842499560 631646858 /nfs/dbraw/zinc/64/68/58/631646858.db2.gz OXKGFNNVJGCYJP-GHMZBOCLSA-N 0 2 291.332 2.981 20 5 CFBDLN CC[C@@H](C)CONC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000816976177 632541386 /nfs/dbraw/zinc/54/13/86/632541386.db2.gz XUVKQKQNIDKHAJ-LLVKDONJSA-N 0 2 294.351 2.966 20 5 CFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCc2ccccc2Cl)no1 ZINC000854109217 635213382 /nfs/dbraw/zinc/21/33/82/635213382.db2.gz DGMFNWFTOVVJMD-MWLCHTKSSA-N 0 2 293.710 2.641 20 5 CFBDLN CCCCOC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619748 775527014 /nfs/dbraw/zinc/52/70/14/775527014.db2.gz IGTDFECKMWJQMH-JTQLQIEISA-N 0 2 269.297 2.884 20 5 CFBDLN CC[C@H](C)[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972181 776674318 /nfs/dbraw/zinc/67/43/18/776674318.db2.gz TZVZNCCNVKSVJR-JGVFFNPUSA-N 0 2 255.270 2.819 20 5 CFBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccncc1 ZINC001225619903 777094240 /nfs/dbraw/zinc/09/42/40/777094240.db2.gz KHQPKUUCNWYCKW-VIFPVBQESA-N 0 2 260.249 2.835 20 5 CFBDLN O=[N+]([O-])c1cc(-c2nc3cc(F)ccc3[nH]2)ccc1O ZINC000069835914 346901911 /nfs/dbraw/zinc/90/19/11/346901911.db2.gz RZRGGMHKNBYZTM-UHFFFAOYSA-N 0 2 273.223 2.983 20 5 CFBDLN C[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)(C)C ZINC000031408401 346293927 /nfs/dbraw/zinc/29/39/27/346293927.db2.gz QWZGUYGBVPAKCK-SECBINFHSA-N 0 2 280.324 2.807 20 5 CFBDLN CCO[C@@H](CC)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000596622041 349959339 /nfs/dbraw/zinc/95/93/39/349959339.db2.gz UADUZTFGKQHANL-NSHDSACASA-N 0 2 293.279 2.838 20 5 CFBDLN CC[C@@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000233852501 348218458 /nfs/dbraw/zinc/21/84/58/348218458.db2.gz TZFVHPCSZFBUCP-SECBINFHSA-N 0 2 266.297 2.561 20 5 CFBDLN CN(Cc1ccsc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234286076 348220108 /nfs/dbraw/zinc/22/01/08/348220108.db2.gz ITCILSHSWQVOLG-UHFFFAOYSA-N 0 2 292.316 2.634 20 5 CFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccsc1 ZINC000235192234 348225359 /nfs/dbraw/zinc/22/53/59/348225359.db2.gz PSCPYWOTNRQEOL-MRVPVSSYSA-N 0 2 292.316 2.853 20 5 CFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccsc1 ZINC000235498929 348228309 /nfs/dbraw/zinc/22/83/09/348228309.db2.gz PSCPYWOTNRQEOL-QMMMGPOBSA-N 0 2 292.316 2.853 20 5 CFBDLN CC1(C)CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000597445821 350098525 /nfs/dbraw/zinc/09/85/25/350098525.db2.gz YPVZSZUXFZCZJP-SECBINFHSA-N 0 2 264.281 2.675 20 5 CFBDLN C[C@@H]1CCC(C)(C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597753854 350132308 /nfs/dbraw/zinc/13/23/08/350132308.db2.gz WNRWEXABEQTDJB-SECBINFHSA-N 0 2 278.308 2.704 20 5 CFBDLN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000598251455 350225380 /nfs/dbraw/zinc/22/53/80/350225380.db2.gz SFDBZVGMFHHIIL-CQSZACIVSA-N 0 2 278.308 2.609 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC12CC2 ZINC000599714419 350487612 /nfs/dbraw/zinc/48/76/12/350487612.db2.gz VNLNIOABDDVAQP-SNVBAGLBSA-N 0 2 276.292 2.819 20 5 CFBDLN O=C(NC[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600807081 350615665 /nfs/dbraw/zinc/61/56/65/350615665.db2.gz XTFWUVNZPUWVRX-NSHDSACASA-N 0 2 290.319 2.611 20 5 CFBDLN CC1=NN(c2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@@H]1C ZINC000601938744 350810497 /nfs/dbraw/zinc/81/04/97/350810497.db2.gz IXPJCWBUHWSZGT-ZCFIWIBFSA-N 0 2 267.672 2.607 20 5 CFBDLN O=C(CC1CC(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000450394525 242394916 /nfs/dbraw/zinc/39/49/16/242394916.db2.gz TZWMIRFFHMDFKO-UHFFFAOYSA-N 0 2 286.234 2.674 20 5 CFBDLN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CCCCO)n1 ZINC000450645206 242523373 /nfs/dbraw/zinc/52/33/73/242523373.db2.gz FITUJJMADXOCLM-SNVBAGLBSA-N 0 2 267.329 2.570 20 5 CFBDLN CC[C@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000452990886 243356877 /nfs/dbraw/zinc/35/68/77/243356877.db2.gz ATSVVSANCNYHRZ-QWRGUYRKSA-N 0 2 292.335 2.857 20 5 CFBDLN CC[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000452990883 243357050 /nfs/dbraw/zinc/35/70/50/243357050.db2.gz ATSVVSANCNYHRZ-GHMZBOCLSA-N 0 2 292.335 2.857 20 5 CFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000017323788 372133093 /nfs/dbraw/zinc/13/30/93/372133093.db2.gz GXSMRBYYEMVLFA-SNVBAGLBSA-N 0 2 286.287 2.791 20 5 CFBDLN CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000092546216 375121403 /nfs/dbraw/zinc/12/14/03/375121403.db2.gz GUQFCTDQQLWVCQ-UHFFFAOYSA-N 0 2 264.281 2.819 20 5 CFBDLN CSC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000332416804 378760500 /nfs/dbraw/zinc/76/05/00/378760500.db2.gz CICPQEQIQJVPDX-UHFFFAOYSA-N 0 2 282.321 2.525 20 5 CFBDLN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376022357 296292661 /nfs/dbraw/zinc/29/26/61/296292661.db2.gz CSMRLQDCFJVKHP-SNVBAGLBSA-N 0 2 290.319 2.705 20 5 CFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000179538343 380555026 /nfs/dbraw/zinc/55/50/26/380555026.db2.gz HMQYDWQNAHCAKN-GHMZBOCLSA-N 0 2 290.319 2.563 20 5 CFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)C2=CCCCC2)c1 ZINC000295418261 380841654 /nfs/dbraw/zinc/84/16/54/380841654.db2.gz XWRVXMPDCWYBHT-UHFFFAOYSA-N 0 2 298.320 2.500 20 5 CFBDLN CC(C)ONC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295507381 380901958 /nfs/dbraw/zinc/90/19/58/380901958.db2.gz HCYLFABBEDXUHB-VIFPVBQESA-N 0 2 284.337 2.532 20 5 CFBDLN CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182010974 380964620 /nfs/dbraw/zinc/96/46/20/380964620.db2.gz YKCJFYLBXIPWOG-UHFFFAOYSA-N 0 2 278.308 2.563 20 5 CFBDLN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183346662 381257955 /nfs/dbraw/zinc/25/79/55/381257955.db2.gz JQCFQCLGFAGHBI-SNVBAGLBSA-N 0 2 298.298 2.892 20 5 CFBDLN O=C(Cc1ccc(F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183904785 381337617 /nfs/dbraw/zinc/33/76/17/381337617.db2.gz HLLGDZVLCGROHM-UHFFFAOYSA-N 0 2 290.250 2.621 20 5 CFBDLN CN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185414733 381626242 /nfs/dbraw/zinc/62/62/42/381626242.db2.gz DCMFHZLKKYDHSL-UHFFFAOYSA-N 0 2 292.335 2.953 20 5 CFBDLN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186021852 381803865 /nfs/dbraw/zinc/80/38/65/381803865.db2.gz ACKLMVZVEZKSPO-VHSXEESVSA-N 0 2 264.281 2.531 20 5 CFBDLN CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000187396759 382172589 /nfs/dbraw/zinc/17/25/89/382172589.db2.gz DJUSFNAIHJWMKL-JOYOIKCWSA-N 0 2 278.308 2.561 20 5 CFBDLN CC[C@H](C)CN(CC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187672580 382242762 /nfs/dbraw/zinc/24/27/62/382242762.db2.gz WHGDJIOACGVJHB-JTQLQIEISA-N 0 2 280.324 2.809 20 5 CFBDLN O=C(N[C@@H]1CC2CCC1CC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000314776418 382526948 /nfs/dbraw/zinc/52/69/48/382526948.db2.gz POEFYISXYBDDTJ-SRHKJQAYSA-N 0 2 290.319 2.609 20 5 CFBDLN C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1cnccn1 ZINC000358212448 382508462 /nfs/dbraw/zinc/50/84/62/382508462.db2.gz QSAKVUNKCIVFFI-RMKNXTFCSA-N 0 2 257.249 2.651 20 5 CFBDLN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194406865 382743235 /nfs/dbraw/zinc/74/32/35/382743235.db2.gz MXFUHXCJNDCREV-JQWIXIFHSA-N 0 2 292.335 2.857 20 5 CFBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000220982693 382796595 /nfs/dbraw/zinc/79/65/95/382796595.db2.gz HKWKZPWGWMVCHV-UHFFFAOYSA-N 0 2 278.308 2.705 20 5 CFBDLN CN(CC1CCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234278606 382873489 /nfs/dbraw/zinc/87/34/89/382873489.db2.gz AGLAACRJEISCKR-UHFFFAOYSA-N 0 2 278.308 2.563 20 5 CFBDLN C[C@H]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000235702401 382886020 /nfs/dbraw/zinc/88/60/20/382886020.db2.gz XWIZCPXZSRWQGV-QWRGUYRKSA-N 0 2 292.335 2.999 20 5 CFBDLN C[C@H]1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000235688744 382886141 /nfs/dbraw/zinc/88/61/41/382886141.db2.gz XWIZCPXZSRWQGV-WDEREUQCSA-N 0 2 292.335 2.999 20 5 CFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000236617137 382898397 /nfs/dbraw/zinc/89/83/97/382898397.db2.gz BHRLMAONUGTFNO-UHFFFAOYSA-N 0 2 284.271 2.503 20 5 CFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421802652 382928606 /nfs/dbraw/zinc/92/86/06/382928606.db2.gz OHROYKJZCCHUPJ-OPRDCNLKSA-N 0 2 276.292 2.675 20 5 CFBDLN CC[C@H](CC(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000457716473 383080618 /nfs/dbraw/zinc/08/06/18/383080618.db2.gz SSHYPIYLGXDYTF-SSDOTTSWSA-N 0 2 288.250 2.920 20 5 CFBDLN CC[C@@H](CC(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000457716474 383081218 /nfs/dbraw/zinc/08/12/18/383081218.db2.gz SSHYPIYLGXDYTF-ZETCQYMHSA-N 0 2 288.250 2.920 20 5 CFBDLN C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436674235 296356670 /nfs/dbraw/zinc/35/66/70/296356670.db2.gz UREBCPOUMHMEMO-BXKDBHETSA-N 0 2 278.308 2.609 20 5 CFBDLN O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436869353 383897352 /nfs/dbraw/zinc/89/73/52/383897352.db2.gz KYJIJLPJDFKWHZ-CQSZACIVSA-N 0 2 298.298 2.718 20 5 CFBDLN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436858021 296485187 /nfs/dbraw/zinc/48/51/87/296485187.db2.gz CPOCPCKDYVNXHR-ZJUUUORDSA-N 0 2 278.308 2.609 20 5 CFBDLN C[C@@H]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000300295746 296484934 /nfs/dbraw/zinc/48/49/34/296484934.db2.gz QPJYDOCNVVPBFB-BREBYQMCSA-N 0 2 292.335 2.855 20 5 CFBDLN CC[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000077632450 393700959 /nfs/dbraw/zinc/70/09/59/393700959.db2.gz QIDZAVCUVAVWLR-PWSUYJOCSA-N 0 2 292.335 2.999 20 5 CFBDLN O=C(Nc1cccc(F)c1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436955406 394038880 /nfs/dbraw/zinc/03/88/80/394038880.db2.gz FKFGRJZEFGVZEO-UHFFFAOYSA-N 0 2 294.213 2.831 20 5 CFBDLN CCCn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000450636937 394305768 /nfs/dbraw/zinc/30/57/68/394305768.db2.gz FPQXUSQORXBJFI-UHFFFAOYSA-N 0 2 288.311 2.612 20 5 CFBDLN C[C@H](CC(F)(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000457713495 394490404 /nfs/dbraw/zinc/49/04/04/394490404.db2.gz PWLDFPWVXPGEJK-ZCFIWIBFSA-N 0 2 292.213 2.827 20 5 CFBDLN CC(C)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000542782562 394712520 /nfs/dbraw/zinc/71/25/20/394712520.db2.gz USECEXKKZZLQJL-UHFFFAOYSA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408416490 157396850 /nfs/dbraw/zinc/39/68/50/157396850.db2.gz UKZOOOJNLYUFCH-VWYCJHECSA-N 0 2 292.335 2.807 20 5 CFBDLN CC1(C)CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408415677 157397101 /nfs/dbraw/zinc/39/71/01/157397101.db2.gz KVGNWFBCBJEOOM-UHFFFAOYSA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000233915774 287051449 /nfs/dbraw/zinc/05/14/49/287051449.db2.gz UANUHYRYSRMLGK-LLVKDONJSA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274766626 287118631 /nfs/dbraw/zinc/11/86/31/287118631.db2.gz HOXXLVBDRDJJJF-VHSXEESVSA-N 0 2 278.308 2.704 20 5 CFBDLN CC(C)(C)C(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000350769497 278298706 /nfs/dbraw/zinc/29/87/06/278298706.db2.gz ZXTXUMGCZUKRBU-UHFFFAOYSA-N 0 2 280.324 2.855 20 5 CFBDLN CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000117422211 288216820 /nfs/dbraw/zinc/21/68/20/288216820.db2.gz RWMLSHXJVUSBQL-NSHDSACASA-N 0 2 292.335 2.953 20 5 CFBDLN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272436645 288238317 /nfs/dbraw/zinc/23/83/17/288238317.db2.gz TWXXSGOXHPXCEQ-ZJUUUORDSA-N 0 2 278.308 2.704 20 5 CFBDLN C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C ZINC000248483308 281023488 /nfs/dbraw/zinc/02/34/88/281023488.db2.gz CNIXBUZXRRPTKJ-CKYFFXLPSA-N 0 2 292.335 2.855 20 5 CFBDLN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331226697 288339667 /nfs/dbraw/zinc/33/96/67/288339667.db2.gz FPCBYBVFDDHGGY-ZJUUUORDSA-N 0 2 278.308 2.561 20 5 CFBDLN CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000436966688 281589644 /nfs/dbraw/zinc/58/96/44/281589644.db2.gz OQJPTRLLJQRQJC-UHFFFAOYSA-N 0 2 278.308 2.753 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C2CC2)C1 ZINC000290787510 304532703 /nfs/dbraw/zinc/53/27/03/304532703.db2.gz DHUGAMMGCUCQBD-LLVKDONJSA-N 0 2 290.319 2.563 20 5 CFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C(C)(C)C1 ZINC000274659740 300194236 /nfs/dbraw/zinc/19/42/36/300194236.db2.gz DXFYGNWMONYBFI-SECBINFHSA-N 0 2 278.308 2.561 20 5 CFBDLN O=C(N[C@@H]1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436672933 303895961 /nfs/dbraw/zinc/89/59/61/303895961.db2.gz GWTBXLGMQWJMQR-CQSZACIVSA-N 0 2 298.298 2.718 20 5 CFBDLN O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H]2C2CC2)s1 ZINC000413481632 304798316 /nfs/dbraw/zinc/79/83/16/304798316.db2.gz NVYULZMSYPYCPZ-ZJUUUORDSA-N 0 2 267.354 2.711 20 5 CFBDLN Cc1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183902019 323929586 /nfs/dbraw/zinc/92/95/86/323929586.db2.gz NCDZYGPZFALGGT-UHFFFAOYSA-N 0 2 286.287 2.790 20 5 CFBDLN CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000311607950 519888079 /nfs/dbraw/zinc/88/80/79/519888079.db2.gz IODOVPNHEZEZNG-UHFFFAOYSA-N 0 2 264.281 2.819 20 5 CFBDLN CCO[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000361659955 520289747 /nfs/dbraw/zinc/28/97/47/520289747.db2.gz IYQTUKCZVVQOBS-ZDUSSCGKSA-N 0 2 296.323 2.690 20 5 CFBDLN CCN(CC1CCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000230319159 520975360 /nfs/dbraw/zinc/97/53/60/520975360.db2.gz LCJXHFJPXGDFNH-UHFFFAOYSA-N 0 2 278.308 2.563 20 5 CFBDLN CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073562939 521642322 /nfs/dbraw/zinc/64/23/22/521642322.db2.gz QFMKVCXTYBUXMP-UHFFFAOYSA-N 0 2 266.297 2.563 20 5 CFBDLN C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000300295966 524159301 /nfs/dbraw/zinc/15/93/01/524159301.db2.gz UFGXEQUFSBLZBW-MNOVXSKESA-N 0 2 292.335 2.857 20 5 CFBDLN O=C([O-])[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000050510103 526314662 /nfs/dbraw/zinc/31/46/62/526314662.db2.gz FEHWCXJKDSICAT-GFCCVEGCSA-N 0 2 292.316 2.572 20 5 CFBDLN CC(C)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179452796 528952835 /nfs/dbraw/zinc/95/28/35/528952835.db2.gz DXEBQTZDYGOIML-JTQLQIEISA-N 0 2 292.335 2.950 20 5 CFBDLN CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179380048 529271752 /nfs/dbraw/zinc/27/17/52/529271752.db2.gz ZCZIUSOEYAPENN-SNVBAGLBSA-N 0 2 278.308 2.705 20 5 CFBDLN O=C(NCCC[C@H]1C=CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000834326827 625611361 /nfs/dbraw/zinc/61/13/61/625611361.db2.gz JJYQAKKDOXQDIY-NSHDSACASA-N 0 2 290.319 2.777 20 5 CFBDLN Cc1ccc(N(CC(C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840473358 623156912 /nfs/dbraw/zinc/15/69/12/623156912.db2.gz OWQWYSIRAWNCQH-ZIAGYGMSSA-N 0 2 276.336 2.649 20 5 CFBDLN O=C(Nc1nc2c(cccc2Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841200651 631357029 /nfs/dbraw/zinc/35/70/29/631357029.db2.gz QBCNBLMXJQNZIU-IYSWYEEDSA-N 0 2 297.723 2.553 20 5 CFBDLN Cc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)nc2ccccc12 ZINC000842496885 631645882 /nfs/dbraw/zinc/64/58/82/631645882.db2.gz HZLZNCJQOKUDNW-ZWNOBZJWSA-N 0 2 296.286 2.726 20 5 CFBDLN CC(C)(Cc1ccccc1)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842501091 631647703 /nfs/dbraw/zinc/64/77/03/631647703.db2.gz MPXJODBLJNHVRU-VXGBXAGGSA-N 0 2 287.319 2.723 20 5 CFBDLN CC1(C)C[C@H](Oc2cccc(O)c2[N+](=O)[O-])CCO1 ZINC001225619766 775527265 /nfs/dbraw/zinc/52/72/65/775527265.db2.gz ILZTYRFLRLXKTL-SECBINFHSA-N 0 2 267.281 2.637 20 5 CFBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC(F)(F)C1 ZINC001225624445 775529934 /nfs/dbraw/zinc/52/99/34/775529934.db2.gz CCAOIIQTBCUAOA-ZETCQYMHSA-N 0 2 259.208 2.867 20 5 CFBDLN C[C@@H](COC(C)(C)C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624554 775530140 /nfs/dbraw/zinc/53/01/40/775530140.db2.gz ZSOJPAFJNDKLMA-VIFPVBQESA-N 0 2 269.297 2.883 20 5 CFBDLN CCCC[C@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625075 776247719 /nfs/dbraw/zinc/24/77/19/776247719.db2.gz NXWYBGIUBFWPIL-ZETCQYMHSA-N 0 2 287.341 2.770 20 5 CFBDLN CSc1nc(O[C@H](C)c2ccco2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227628521 776248342 /nfs/dbraw/zinc/24/83/42/776248342.db2.gz QEAKUUNWXNJOSD-ZCFIWIBFSA-N 0 2 297.292 2.545 20 5 CFBDLN CC[C@@H](C)[C@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624904 776248413 /nfs/dbraw/zinc/24/84/13/776248413.db2.gz IKPLPMOQYPSFLK-RQJHMYQMSA-N 0 2 287.341 2.626 20 5 CFBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCCC[C@@H]1F ZINC001228975266 776674185 /nfs/dbraw/zinc/67/41/85/776674185.db2.gz YYIZPMJGCNIQQE-WCBMZHEXSA-N 0 2 271.244 2.666 20 5 CFBDLN CCCSc1nc(O[C@H](C)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229795197 776893852 /nfs/dbraw/zinc/89/38/52/776893852.db2.gz GMGCMFWWZCZJFX-SSDOTTSWSA-N 0 2 299.352 2.770 20 5 CFBDLN Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1O ZINC000119384189 347801503 /nfs/dbraw/zinc/80/15/03/347801503.db2.gz ZWFAYDMUDQQHFD-UHFFFAOYSA-N 0 2 288.259 2.567 20 5 CFBDLN Cc1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126819290 347837079 /nfs/dbraw/zinc/83/70/79/347837079.db2.gz XTHOAIKSMDYOFR-UHFFFAOYSA-N 0 2 298.298 2.812 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402921744 348583281 /nfs/dbraw/zinc/58/32/81/348583281.db2.gz ZBDMGRUVZLYGHU-JFGNBEQYSA-N 0 2 288.303 2.841 20 5 CFBDLN C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597756379 350131999 /nfs/dbraw/zinc/13/19/99/350131999.db2.gz DETYZVNEFVZGSQ-SECBINFHSA-N 0 2 278.308 2.704 20 5 CFBDLN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598299435 350229252 /nfs/dbraw/zinc/22/92/52/350229252.db2.gz LASKWAVTYGFNAK-GHMZBOCLSA-N 0 2 292.335 2.951 20 5 CFBDLN Cc1ccc([N+](=O)[O-])cc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000601934944 350807489 /nfs/dbraw/zinc/80/74/89/350807489.db2.gz FYCXOOWXYNUAAI-ONGXEEELSA-N 0 2 273.292 2.652 20 5 CFBDLN C[C@@H]1CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)N=C12 ZINC000601937080 350809437 /nfs/dbraw/zinc/80/94/37/350809437.db2.gz BNDPQOWVKJVEAB-VXNVDRBHSA-N 0 2 293.710 2.997 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(C(F)(F)F)CC1 ZINC000611294661 351665039 /nfs/dbraw/zinc/66/50/39/351665039.db2.gz GKIKDJNWLMKDQC-UHFFFAOYSA-N 0 2 290.197 2.581 20 5 CFBDLN CC(=O)C(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294784 351665054 /nfs/dbraw/zinc/66/50/54/351665054.db2.gz PKUPYVMVYFULNR-UHFFFAOYSA-N 0 2 294.307 2.634 20 5 CFBDLN CC(F)(F)CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271675 352072999 /nfs/dbraw/zinc/07/29/99/352072999.db2.gz IWSNEVMPHFLNIS-UHFFFAOYSA-N 0 2 274.223 2.674 20 5 CFBDLN CCN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000292029602 198139369 /nfs/dbraw/zinc/13/93/69/198139369.db2.gz CHKVLOUFYAHHHC-UHFFFAOYSA-N 0 2 280.324 2.809 20 5 CFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)(C)C ZINC000271502596 191178294 /nfs/dbraw/zinc/17/82/94/191178294.db2.gz KZMVRYQMTUIBAU-MRVPVSSYSA-N 0 2 266.297 2.921 20 5 CFBDLN O=C(C[C@H]1C=CCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000154022641 188118006 /nfs/dbraw/zinc/11/80/06/188118006.db2.gz OHUFDNMEFMLFBV-VIFPVBQESA-N 0 2 262.265 2.595 20 5 CFBDLN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179416627 189192893 /nfs/dbraw/zinc/19/28/93/189192893.db2.gz BKDUVMQUJLHDBW-UHFFFAOYSA-N 0 2 278.308 2.561 20 5 CFBDLN O=C(C[C@H]1C=CCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183917472 189371674 /nfs/dbraw/zinc/37/16/74/189371674.db2.gz HNPPCTCCJFLVGW-VIFPVBQESA-N 0 2 262.265 2.595 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCCCC1 ZINC000184618235 189391062 /nfs/dbraw/zinc/39/10/62/189391062.db2.gz FQSSJNDOFMHVBJ-UHFFFAOYSA-N 0 2 278.308 2.707 20 5 CFBDLN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC=CCC1 ZINC000450393965 242395607 /nfs/dbraw/zinc/39/56/07/242395607.db2.gz RREPSGBEKKNZEX-AWEZNQCLSA-N 0 2 276.292 2.985 20 5 CFBDLN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCC1 ZINC000456653433 244251217 /nfs/dbraw/zinc/25/12/17/244251217.db2.gz GOUYNGJPUWCZOX-GFCCVEGCSA-N 0 2 292.335 2.999 20 5 CFBDLN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031384939 372409184 /nfs/dbraw/zinc/40/91/84/372409184.db2.gz YNLPWWKZYQRMKN-CMPLNLGQSA-N 0 2 292.335 2.951 20 5 CFBDLN CCSCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075418509 374481862 /nfs/dbraw/zinc/48/18/62/374481862.db2.gz DZEOPGRYFLUSHP-SECBINFHSA-N 0 2 298.364 2.562 20 5 CFBDLN Cc1ccc(/C=C\C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000492466819 246301656 /nfs/dbraw/zinc/30/16/56/246301656.db2.gz BQMITIOGSAJNOI-ALCCZGGFSA-N 0 2 288.259 2.854 20 5 CFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000089541078 374921575 /nfs/dbraw/zinc/92/15/75/374921575.db2.gz CXFLTWFUFOCUBY-UHFFFAOYSA-N 0 2 294.213 2.831 20 5 CFBDLN C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000176615963 380258073 /nfs/dbraw/zinc/25/80/73/380258073.db2.gz IAXUOTNCEJROPI-MNOVXSKESA-N 0 2 292.335 2.951 20 5 CFBDLN C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cnccn1 ZINC000180380772 380650894 /nfs/dbraw/zinc/65/08/94/380650894.db2.gz MJXJBEGXOKLDEG-TWGQIWQCSA-N 0 2 257.249 2.651 20 5 CFBDLN Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000183548652 381286431 /nfs/dbraw/zinc/28/64/31/381286431.db2.gz ZDOKVDZTTNNLGB-UHFFFAOYSA-N 0 2 286.287 2.885 20 5 CFBDLN Cc1nn(-c2ccccc2)cc1Nc1ncc([N+](=O)[O-])cn1 ZINC000354605647 381362996 /nfs/dbraw/zinc/36/29/96/381362996.db2.gz OOZRLEHZAKOZSE-UHFFFAOYSA-N 0 2 296.290 2.623 20 5 CFBDLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000290329182 381386066 /nfs/dbraw/zinc/38/60/66/381386066.db2.gz JGYUDBIUPSQBTP-MUWHJKNJSA-N 0 2 294.204 2.672 20 5 CFBDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000290329182 381386072 /nfs/dbraw/zinc/38/60/72/381386072.db2.gz JGYUDBIUPSQBTP-MUWHJKNJSA-N 0 2 294.204 2.672 20 5 CFBDLN CCCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000299369908 381913649 /nfs/dbraw/zinc/91/36/49/381913649.db2.gz UAHZOGJNYZJRAL-UHFFFAOYSA-N 0 2 266.297 2.563 20 5 CFBDLN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@H]2C[C@H]2C1 ZINC000343875296 381997347 /nfs/dbraw/zinc/99/73/47/381997347.db2.gz KDGDNSYXBSRBCS-QRJZZWFUSA-N 0 2 276.292 2.675 20 5 CFBDLN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2S1 ZINC000363462392 382232929 /nfs/dbraw/zinc/23/29/29/382232929.db2.gz HHCNENIHOWAMMH-CKYFFXLPSA-N 0 2 292.360 2.569 20 5 CFBDLN O=C(Nc1cccc(C2CC2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353758508 382627410 /nfs/dbraw/zinc/62/74/10/382627410.db2.gz JOEHHJQOLSWKDJ-UHFFFAOYSA-N 0 2 299.286 2.825 20 5 CFBDLN CC[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000189795391 382641094 /nfs/dbraw/zinc/64/10/94/382641094.db2.gz PZEZNWCJUJZILB-QMMMGPOBSA-N 0 2 252.270 2.675 20 5 CFBDLN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000336864876 382736569 /nfs/dbraw/zinc/73/65/69/382736569.db2.gz SBZLFTCNPBSPTH-TZMCWYRMSA-N 0 2 298.298 2.586 20 5 CFBDLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000576285370 382817414 /nfs/dbraw/zinc/81/74/14/382817414.db2.gz FCJPRSCCQZPQAQ-JTQLQIEISA-N 0 2 286.353 2.587 20 5 CFBDLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000576285370 382817415 /nfs/dbraw/zinc/81/74/15/382817415.db2.gz FCJPRSCCQZPQAQ-JTQLQIEISA-N 0 2 286.353 2.587 20 5 CFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H](F)C1 ZINC000424753946 383251816 /nfs/dbraw/zinc/25/18/16/383251816.db2.gz CFKUWYTWASVWJN-DTWKUNHWSA-N 0 2 282.271 2.767 20 5 CFBDLN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436667830 383867778 /nfs/dbraw/zinc/86/77/78/383867778.db2.gz ZLFRMNPANFEODW-GXTWGEPZSA-N 0 2 298.298 2.586 20 5 CFBDLN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272427681 385535287 /nfs/dbraw/zinc/53/52/87/385535287.db2.gz RKIPQWMPOYUQMD-VHSXEESVSA-N 0 2 278.308 2.561 20 5 CFBDLN CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)no1 ZINC000092546156 393788879 /nfs/dbraw/zinc/78/88/79/393788879.db2.gz DXWDTEOBNHBSFD-UHFFFAOYSA-N 0 2 291.263 2.664 20 5 CFBDLN CN(C[C@@H]1CC=CCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436839504 394027298 /nfs/dbraw/zinc/02/72/98/394027298.db2.gz PQBVWNONAKAABE-LLVKDONJSA-N 0 2 290.319 2.729 20 5 CFBDLN O=C(NC/C=C\c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436962800 394038700 /nfs/dbraw/zinc/03/87/00/394038700.db2.gz XUSFFCNIWBDXAP-DAXSKMNVSA-N 0 2 298.298 2.744 20 5 CFBDLN CCc1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000436965328 394039500 /nfs/dbraw/zinc/03/95/00/394039500.db2.gz TVVMWHZQQWTIRH-UHFFFAOYSA-N 0 2 293.304 2.572 20 5 CFBDLN CN(C[C@H]1CC=CCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436839505 394027873 /nfs/dbraw/zinc/02/78/73/394027873.db2.gz PQBVWNONAKAABE-NSHDSACASA-N 0 2 290.319 2.729 20 5 CFBDLN C[C@@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436878450 394031888 /nfs/dbraw/zinc/03/18/88/394031888.db2.gz SLKKYRYPLYTECT-NXEZZACHSA-N 0 2 278.308 2.561 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC(C)(C)C1 ZINC000436915657 394034291 /nfs/dbraw/zinc/03/42/91/394034291.db2.gz RQCBYRHNZJIFKW-LLVKDONJSA-N 0 2 292.335 2.951 20 5 CFBDLN O=C(CCCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000356324154 155226241 /nfs/dbraw/zinc/22/62/41/155226241.db2.gz STONTHGUQAOZBD-UHFFFAOYSA-N 0 2 292.213 2.972 20 5 CFBDLN CC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187450358 288439580 /nfs/dbraw/zinc/43/95/80/288439580.db2.gz 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CC(C)(C)/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531876 374920117 /nfs/dbraw/zinc/92/01/17/374920117.db2.gz QKBQNOCOBOBUDG-VOTSOKGWSA-N 0 2 264.281 2.841 20 5 CFBDLN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000097669728 375577233 /nfs/dbraw/zinc/57/72/33/375577233.db2.gz ULTJJEHHHOWMCQ-GHMZBOCLSA-N 0 2 292.335 2.857 20 5 CFBDLN CC[C@@]1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330613325 378590143 /nfs/dbraw/zinc/59/01/43/378590143.db2.gz RDPISCVSQVHNBK-AWEZNQCLSA-N 0 2 278.308 2.563 20 5 CFBDLN CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176263927 380204830 /nfs/dbraw/zinc/20/48/30/380204830.db2.gz ALBPRUAJZXZJBM-SECBINFHSA-N 0 2 298.364 2.514 20 5 CFBDLN O=C(NCCC1=CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000182154210 381003538 /nfs/dbraw/zinc/00/35/38/381003538.db2.gz YFDROISZKWGJNL-UHFFFAOYSA-N 0 2 276.292 2.531 20 5 CFBDLN CN(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000347289443 381049677 /nfs/dbraw/zinc/04/96/77/381049677.db2.gz VOTRBLADWQLRFV-UHFFFAOYSA-N 0 2 286.287 2.573 20 5 CFBDLN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183346442 381258286 /nfs/dbraw/zinc/25/82/86/381258286.db2.gz YEJMENBYLQCWBT-SNVBAGLBSA-N 0 2 298.298 2.892 20 5 CFBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(O)c1 ZINC000184591520 381441979 /nfs/dbraw/zinc/44/19/79/381441979.db2.gz GTOYCTBOOQJHNE-UHFFFAOYSA-N 0 2 288.259 2.567 20 5 CFBDLN CC[C@H](CSC)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186084170 381819408 /nfs/dbraw/zinc/81/94/08/381819408.db2.gz GBFDBJVMNLCAHN-SECBINFHSA-N 0 2 298.364 2.514 20 5 CFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC12CCCCC2 ZINC000373069713 381922120 /nfs/dbraw/zinc/92/21/20/381922120.db2.gz KWVDSVNKONYRJZ-UHFFFAOYSA-N 0 2 290.319 2.849 20 5 CFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C2CC2)C1 ZINC000365606979 382420627 /nfs/dbraw/zinc/42/06/27/382420627.db2.gz CELLSTDQYYWPIL-LLVKDONJSA-N 0 2 290.319 2.563 20 5 CFBDLN C[C@@H]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000217315803 382785890 /nfs/dbraw/zinc/78/58/90/382785890.db2.gz GCWISZLFLOYEHG-VWYCJHECSA-N 0 2 292.335 2.855 20 5 CFBDLN C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000226654191 382830859 /nfs/dbraw/zinc/83/08/59/382830859.db2.gz QZSDVZIRZBKEJJ-SCVCMEIPSA-N 0 2 292.335 2.855 20 5 CFBDLN Cc1c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884221 382867358 /nfs/dbraw/zinc/86/73/58/382867358.db2.gz AXNWHPCFQSVUSA-BXUZGUMPSA-N 0 2 289.379 2.618 20 5 CFBDLN Cc1c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884226 382867430 /nfs/dbraw/zinc/86/74/30/382867430.db2.gz AXNWHPCFQSVUSA-SMDDNHRTSA-N 0 2 289.379 2.618 20 5 CFBDLN C[C@@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])C1(C)CC1 ZINC000280857896 195004355 /nfs/dbraw/zinc/00/43/55/195004355.db2.gz AXXYFMIYXMWJAD-SECBINFHSA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281151623 296352945 /nfs/dbraw/zinc/35/29/45/296352945.db2.gz KZZBXQWPCNDYBT-ZYHUDNBSSA-N 0 2 292.335 2.951 20 5 CFBDLN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436674985 383871677 /nfs/dbraw/zinc/87/16/77/383871677.db2.gz SPCBJHAIYXXZKW-UHFFFAOYSA-N 0 2 292.316 2.600 20 5 CFBDLN CCOC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCC1 ZINC000286210662 385572580 /nfs/dbraw/zinc/57/25/80/385572580.db2.gz WXJMBADGGOPVGX-UHFFFAOYSA-N 0 2 294.307 2.588 20 5 CFBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1n[nH]c(=O)[nH]1 ZINC000194631641 393710840 /nfs/dbraw/zinc/71/08/40/393710840.db2.gz OQCJQBAFBFZABK-SSDOTTSWSA-N 0 2 280.309 2.580 20 5 CFBDLN CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000194746132 393715682 /nfs/dbraw/zinc/71/56/82/393715682.db2.gz FILFIXMKDLMWIN-SNVBAGLBSA-N 0 2 278.308 2.563 20 5 CFBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1O ZINC000227042714 393772038 /nfs/dbraw/zinc/77/20/38/393772038.db2.gz ULKKPVOJRIVQSJ-UHFFFAOYSA-N 0 2 288.259 2.567 20 5 CFBDLN CN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436942409 394037513 /nfs/dbraw/zinc/03/75/13/394037513.db2.gz ICRKCLKNVHWZLF-UHFFFAOYSA-N 0 2 292.316 2.634 20 5 CFBDLN CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970129 394039376 /nfs/dbraw/zinc/03/93/76/394039376.db2.gz BZOLUGRQNCFNJA-ZJUUUORDSA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000354607586 394048247 /nfs/dbraw/zinc/04/82/47/394048247.db2.gz ARSZOUBTBCDRIO-JTQLQIEISA-N 0 2 292.335 2.809 20 5 CFBDLN C[C@@H](C1CCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436910110 394034028 /nfs/dbraw/zinc/03/40/28/394034028.db2.gz QDLJBSFEBXCTPT-VIFPVBQESA-N 0 2 278.308 2.561 20 5 CFBDLN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281151610 299773336 /nfs/dbraw/zinc/77/33/36/299773336.db2.gz KZZBXQWPCNDYBT-JQWIXIFHSA-N 0 2 292.335 2.951 20 5 CFBDLN C[C@H]1CCCC[C@]1(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000457234735 299814311 /nfs/dbraw/zinc/81/43/11/299814311.db2.gz BCAWSBLGDDJMKL-BONVTDFDSA-N 0 2 292.335 2.999 20 5 CFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000006368829 170195494 /nfs/dbraw/zinc/19/54/94/170195494.db2.gz HLYICCVLXQOBBJ-UHFFFAOYSA-N 0 2 296.279 2.535 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184577784 262287356 /nfs/dbraw/zinc/28/73/56/262287356.db2.gz WKTALEVDIRFOPM-UHFFFAOYSA-N 0 2 272.260 2.577 20 5 CFBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC1 ZINC000325205901 270298872 /nfs/dbraw/zinc/29/88/72/270298872.db2.gz IZVFOQMTXPIIPT-GFCCVEGCSA-N 0 2 292.335 2.999 20 5 CFBDLN CC1(C)CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137806536 280954202 /nfs/dbraw/zinc/95/42/02/280954202.db2.gz PRKPYTNQGQZTQM-ZDUSSCGKSA-N 0 2 292.335 2.999 20 5 CFBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1(C)CCCC1 ZINC000428672145 288921736 /nfs/dbraw/zinc/92/17/36/288921736.db2.gz QSXHOSBQOOEACG-UHFFFAOYSA-N 0 2 278.308 2.705 20 5 CFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Cl)ccn1 ZINC000182089003 323841675 /nfs/dbraw/zinc/84/16/75/323841675.db2.gz FPDKOTLXWIQYKD-UHFFFAOYSA-N 0 2 293.666 2.601 20 5 CFBDLN