smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813978 521036027 /nfs/dbraw/zinc/03/60/27/521036027.db2.gz IMYLMQCCDOSRAA-JTQLQIEISA-N 1 0 251.330 2.797 10 5 CFBERO CCCC[C@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439890 521214625 /nfs/dbraw/zinc/21/46/25/521214625.db2.gz YDARXGCSDODDNQ-NSHDSACASA-N 1 0 279.340 2.668 10 5 CFBERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000149624275 534128113 /nfs/dbraw/zinc/12/81/13/534128113.db2.gz HGYQJDXNZSIKHT-LDYMZIIASA-N 1 0 270.716 2.515 10 5 CFBERO CC(C)[NH2+]CCCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000050617395 519721228 /nfs/dbraw/zinc/72/12/28/519721228.db2.gz FAJLEUVPTBETSZ-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049197307 519793879 /nfs/dbraw/zinc/79/38/79/519793879.db2.gz UPZARQUZQKZXJQ-IUODEOHRSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@@H](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000061686083 519795863 /nfs/dbraw/zinc/79/58/63/519795863.db2.gz FISAJMROKPSLJK-JOYOIKCWSA-N 1 0 254.305 2.896 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000232709816 519796448 /nfs/dbraw/zinc/79/64/48/519796448.db2.gz OPLVTEBBCIFLMK-VIFPVBQESA-N 1 0 257.721 2.643 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049197310 519814889 /nfs/dbraw/zinc/81/48/89/519814889.db2.gz UPZARQUZQKZXJQ-DOMZBBRYSA-N 1 0 279.384 2.832 10 5 CFBERO CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050817729 519859498 /nfs/dbraw/zinc/85/94/98/519859498.db2.gz XMPKDJHVEFUQNF-UHFFFAOYSA-N 1 0 263.341 2.799 10 5 CFBERO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)COC ZINC000050815227 520170640 /nfs/dbraw/zinc/17/06/40/520170640.db2.gz SHWZVMKAQQKKDO-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO CCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050817965 520284353 /nfs/dbraw/zinc/28/43/53/520284353.db2.gz OAFUMZJOBTYYHE-AWEZNQCLSA-N 1 0 293.367 2.568 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000050813316 520328472 /nfs/dbraw/zinc/32/84/72/520328472.db2.gz HYNPWRQSWQHQKJ-CYBMUJFWSA-N 1 0 295.408 2.964 10 5 CFBERO CCCCOCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726371 520782450 /nfs/dbraw/zinc/78/24/50/520782450.db2.gz MKDXKARPFMXVHJ-UHFFFAOYSA-N 1 0 266.341 2.544 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000232989804 521048380 /nfs/dbraw/zinc/04/83/80/521048380.db2.gz ZLKCUSGGIASMTG-QMMMGPOBSA-N 1 0 272.736 2.573 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000232987850 521048671 /nfs/dbraw/zinc/04/86/71/521048671.db2.gz NNRLHZLDINWGFK-QMMMGPOBSA-N 1 0 273.283 2.802 10 5 CFBERO CC[C@@H](C)COc1ccc(C[NH2+]C)cc1[N+](=O)[O-] ZINC000050423613 522005264 /nfs/dbraw/zinc/00/52/64/522005264.db2.gz YULGKXGVRVMFKC-SNVBAGLBSA-N 1 0 252.314 2.739 10 5 CFBERO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157882744 522043654 /nfs/dbraw/zinc/04/36/54/522043654.db2.gz UTYJVFJWTYNQSN-LBPRGKRZSA-N 1 0 297.786 2.680 10 5 CFBERO CC[C@@H](C)[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817011 522090879 /nfs/dbraw/zinc/09/08/79/522090879.db2.gz NOKXEVPRNPPCDM-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO CNc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792476 522610992 /nfs/dbraw/zinc/61/09/92/522610992.db2.gz YWXPQFZAUKCUCX-NSHDSACASA-N 1 0 263.341 2.868 10 5 CFBERO COc1cc(N[C@@H](C[NH3+])CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000227860302 522759905 /nfs/dbraw/zinc/75/99/05/522759905.db2.gz CZKYMYHFPLQOKC-SECBINFHSA-N 1 0 285.319 2.528 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000050505299 522984161 /nfs/dbraw/zinc/98/41/61/522984161.db2.gz XLPPZZMMZBVXPC-LLVKDONJSA-N 1 0 280.324 2.514 10 5 CFBERO CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812888 523029757 /nfs/dbraw/zinc/02/97/57/523029757.db2.gz AJVGPHQGZQNXFF-LBPRGKRZSA-N 1 0 263.341 2.942 10 5 CFBERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792803 524279615 /nfs/dbraw/zinc/27/96/15/524279615.db2.gz NQBKFFQZDMTIHW-GHMZBOCLSA-N 1 0 263.341 2.940 10 5 CFBERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150098 524319375 /nfs/dbraw/zinc/31/93/75/524319375.db2.gz LFRPYRSYAPIPJF-OLZOCXBDSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163843546 524511341 /nfs/dbraw/zinc/51/13/41/524511341.db2.gz VCUFKGJAHIBWBI-PWSUYJOCSA-N 1 0 297.786 2.665 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157892986 524844763 /nfs/dbraw/zinc/84/47/63/524844763.db2.gz CPVXNXWJVWLGFP-CMPLNLGQSA-N 1 0 297.786 2.807 10 5 CFBERO Cc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061700762 525281442 /nfs/dbraw/zinc/28/14/42/525281442.db2.gz VRCYSRPFWWDKBX-GFCCVEGCSA-N 1 0 275.352 2.799 10 5 CFBERO Cc1ccc(N[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000049184175 525317014 /nfs/dbraw/zinc/31/70/14/525317014.db2.gz CTIZLAAGWDLKRO-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1noc(C2([NH3+])CCCC2)n1 ZINC000050441219 526066542 /nfs/dbraw/zinc/06/65/42/526066542.db2.gz KIRFVMLCEJLBSL-UHFFFAOYSA-N 1 0 288.307 2.681 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944541 526078396 /nfs/dbraw/zinc/07/83/96/526078396.db2.gz FPYDOIZWSANNSV-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045653774 526084893 /nfs/dbraw/zinc/08/48/93/526084893.db2.gz KNTNQKBWKGRNIZ-GFCCVEGCSA-N 1 0 263.341 2.798 10 5 CFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246182325 526085256 /nfs/dbraw/zinc/08/52/56/526085256.db2.gz KWFQXARKAWNMFX-CJNGLKHVSA-N 1 0 289.379 2.826 10 5 CFBERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000050942045 526548340 /nfs/dbraw/zinc/54/83/40/526548340.db2.gz SRLJUNRFFHVZQN-JTQLQIEISA-N 1 0 295.314 2.595 10 5 CFBERO NC(=[NH2+])c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000061814626 526822285 /nfs/dbraw/zinc/82/22/85/526822285.db2.gz JRDRSZASDDROKQ-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO Cc1nc2cc(O[C@H]3CCC[NH2+]C3)c([N+](=O)[O-])cc2s1 ZINC000051872637 527131475 /nfs/dbraw/zinc/13/14/75/527131475.db2.gz CSKXLZWPTBJKIX-VIFPVBQESA-N 1 0 293.348 2.644 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000050516560 527258953 /nfs/dbraw/zinc/25/89/53/527258953.db2.gz IXCCHCHETOJDLM-UHFFFAOYSA-N 1 0 258.277 2.633 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000051918773 527338714 /nfs/dbraw/zinc/33/87/14/527338714.db2.gz JABVXWPYIBNBMM-SNVBAGLBSA-N 1 0 268.288 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1OCCC[NH2+]C1CC1 ZINC000051625557 527355499 /nfs/dbraw/zinc/35/54/99/527355499.db2.gz YAAJOEHQCITUGL-UHFFFAOYSA-N 1 0 270.716 2.769 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CCC[NH2+]C1 ZINC000168324129 527355551 /nfs/dbraw/zinc/35/55/51/527355551.db2.gz UHWWFKWUQOHWQM-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1F ZINC000051920216 527373075 /nfs/dbraw/zinc/37/30/75/527373075.db2.gz MIMLHRAQFGNQAG-JTQLQIEISA-N 1 0 268.288 2.502 10 5 CFBERO [NH3+][C@H](Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000050892321 527389466 /nfs/dbraw/zinc/38/94/66/527389466.db2.gz MHWGWOBMEIGQAQ-CQSZACIVSA-N 1 0 284.315 2.772 10 5 CFBERO [NH3+][C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236329828 618617934 /nfs/dbraw/zinc/61/79/34/618617934.db2.gz RUQYFGDBZDUEIT-ZETCQYMHSA-N 1 0 290.150 2.829 10 5 CFBERO C[NH2+][C@H](C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261573902 619171986 /nfs/dbraw/zinc/17/19/86/619171986.db2.gz WEOISWDJXAVFCL-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO CCC([NH3+])(CC)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261813939 619281842 /nfs/dbraw/zinc/28/18/42/619281842.db2.gz SRAYCVVYVJFOLF-UHFFFAOYSA-N 1 0 295.368 2.529 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000228551542 623149105 /nfs/dbraw/zinc/14/91/05/623149105.db2.gz HKPCBLADGHOREK-UFGOTCBOSA-N 1 0 295.770 2.812 10 5 CFBERO CC(C)[C@H]([NH3+])CCN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000232734489 623510948 /nfs/dbraw/zinc/51/09/48/623510948.db2.gz QRMACLSPSJJZNN-GFCCVEGCSA-N 1 0 287.310 2.683 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000229599423 626410921 /nfs/dbraw/zinc/41/09/21/626410921.db2.gz BLWRYEXEKNTLHK-ZWNOBZJWSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000089108407 650827800 /nfs/dbraw/zinc/82/78/00/650827800.db2.gz VUYYVATXCBHOJU-JOYOIKCWSA-N 1 0 267.304 2.663 10 5 CFBERO C[C@]1(CNc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000129283364 645144547 /nfs/dbraw/zinc/14/45/47/645144547.db2.gz LVIGSJGGDVUNIZ-ZDUSSCGKSA-N 1 0 267.304 2.536 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NCC2(C)CC[NH2+]CC2)c1 ZINC000129456743 645213453 /nfs/dbraw/zinc/21/34/53/645213453.db2.gz JQJNZWBIJGLTKX-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000130062988 645448580 /nfs/dbraw/zinc/44/85/80/645448580.db2.gz TXFHDJZXYBZXEH-UHFFFAOYSA-N 1 0 267.329 2.533 10 5 CFBERO CCOc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050403 646449166 /nfs/dbraw/zinc/44/91/66/646449166.db2.gz YOBJMEBKGQGBDU-NWDGAFQWSA-N 1 0 293.367 2.794 10 5 CFBERO CC[N@+](C)(C(=O)[O-])c1cccc([C@H](C)[NH+](C)C)c1 ZINC000245224507 717163894 /nfs/dbraw/zinc/16/38/94/717163894.db2.gz XPQWZGUNGYAQED-ZBEGNZNMSA-O 1 0 251.350 2.944 10 5 CFBERO COc1cc(NCC[C@@H]([NH3+])C(C)C)c(F)cc1[N+](=O)[O-] ZINC000596030193 349778547 /nfs/dbraw/zinc/77/85/47/349778547.db2.gz NTYVTJGPHMHYGQ-SNVBAGLBSA-N 1 0 285.319 2.528 10 5 CFBERO CC(C)[C@H]([NH3+])CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596030293 349778635 /nfs/dbraw/zinc/77/86/35/349778635.db2.gz SBFHFNLKPAYLRS-SNVBAGLBSA-N 1 0 255.293 2.519 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133588651 301850193 /nfs/dbraw/zinc/85/01/93/301850193.db2.gz BNGOQJAJUXURJO-GFCCVEGCSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784891 347646828 /nfs/dbraw/zinc/64/68/28/347646828.db2.gz RBCLFOHOTCQHJZ-AWEZNQCLSA-N 1 0 278.352 2.640 10 5 CFBERO CCOc1cccc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000135049901 347903439 /nfs/dbraw/zinc/90/34/39/347903439.db2.gz MXPZCIOAIQBFEG-NSHDSACASA-N 1 0 279.340 2.548 10 5 CFBERO CC[N@@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086844231 179355760 /nfs/dbraw/zinc/35/57/60/179355760.db2.gz LFBHKTFNGKFDNY-CQSZACIVSA-N 1 0 277.368 2.559 10 5 CFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000312929701 348421049 /nfs/dbraw/zinc/42/10/49/348421049.db2.gz DUZDIHSTBXCDSZ-HZMBPMFUSA-N 1 0 295.770 2.813 10 5 CFBERO [NH3+]CC1(Cc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000087931953 179526276 /nfs/dbraw/zinc/52/62/76/179526276.db2.gz AUACSTZPHCMMTD-UHFFFAOYSA-N 1 0 254.717 2.920 10 5 CFBERO [NH3+]CC1(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000404505498 348592437 /nfs/dbraw/zinc/59/24/37/348592437.db2.gz ACGASYGLDJRHFG-UHFFFAOYSA-N 1 0 269.732 2.789 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000089142915 179720582 /nfs/dbraw/zinc/72/05/82/179720582.db2.gz JURXTWBCEPNKHU-SKDRFNHKSA-N 1 0 267.304 2.663 10 5 CFBERO COC[C@@H](C)C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109692545 186268578 /nfs/dbraw/zinc/26/85/78/186268578.db2.gz ULIHDWUKIRMBCU-VIFPVBQESA-N 1 0 272.732 2.620 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000600962112 350638038 /nfs/dbraw/zinc/63/80/38/350638038.db2.gz AFWAMJNMNVUGMN-HOMQSWHASA-N 1 0 267.304 2.663 10 5 CFBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000600962708 350638413 /nfs/dbraw/zinc/63/84/13/350638413.db2.gz KCRWMNFCRSERAL-YUMQZZPRSA-N 1 0 289.257 2.540 10 5 CFBERO CCOc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000600954409 350636075 /nfs/dbraw/zinc/63/60/75/350636075.db2.gz ASUFNGLTDNRZGE-CMPLNLGQSA-N 1 0 279.340 2.546 10 5 CFBERO COCCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112017174 186467642 /nfs/dbraw/zinc/46/76/42/186467642.db2.gz QQVXWCGGBLMKQM-UHFFFAOYSA-N 1 0 272.732 2.764 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000123391854 187088821 /nfs/dbraw/zinc/08/88/21/187088821.db2.gz ZNDPKORJEICMPO-OAHLLOKOSA-N 1 0 291.395 2.819 10 5 CFBERO CCCCNC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181535829 189299448 /nfs/dbraw/zinc/29/94/48/189299448.db2.gz BBLBUKYAGNUREN-CQSZACIVSA-N 1 0 293.367 2.552 10 5 CFBERO [NH3+]C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000236186429 189832865 /nfs/dbraw/zinc/83/28/65/189832865.db2.gz NSJKNVXWUWLJAX-UHFFFAOYSA-N 1 0 289.257 2.907 10 5 CFBERO [NH3+]C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236285431 189833319 /nfs/dbraw/zinc/83/33/19/189833319.db2.gz WRVHPCSDBGGUJL-GFCCVEGCSA-N 1 0 285.294 2.802 10 5 CFBERO C[C@@H]1O[C@@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2 ZINC000000162700 371546033 /nfs/dbraw/zinc/54/60/33/371546033.db2.gz WYAGXNHBWYSTNJ-SWLSCSKDSA-N 1 0 282.791 2.862 10 5 CFBERO CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016473636 372106747 /nfs/dbraw/zinc/10/67/47/372106747.db2.gz LHGAVTFRPICMLS-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO COc1cc(N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000234968168 220228495 /nfs/dbraw/zinc/22/84/95/220228495.db2.gz MIVCSTQFEPCBOI-LBPRGKRZSA-N 1 0 279.340 2.533 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774962 375379638 /nfs/dbraw/zinc/37/96/38/375379638.db2.gz DSRIAXSDLUWSLC-CYBMUJFWSA-N 1 0 295.358 2.650 10 5 CFBERO CCOc1cc(N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000111052066 375833256 /nfs/dbraw/zinc/83/32/56/375833256.db2.gz DLDAEQQJZHWTEK-NSHDSACASA-N 1 0 293.367 2.557 10 5 CFBERO Cc1c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113270270 376004055 /nfs/dbraw/zinc/00/40/55/376004055.db2.gz KFSWXXVUYNZDDD-SWLSCSKDSA-N 1 0 289.379 2.572 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000130536451 377573061 /nfs/dbraw/zinc/57/30/61/377573061.db2.gz XNNKGNROOXEDRQ-JTQLQIEISA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173421100 379736649 /nfs/dbraw/zinc/73/66/49/379736649.db2.gz GIDIVGGDZKMHPU-JECHBYEQSA-N 1 0 298.342 2.904 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000175043393 379985358 /nfs/dbraw/zinc/98/53/58/379985358.db2.gz YGAPWJKXRAOSPT-GOEBONIOSA-N 1 0 289.379 2.653 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360599 380050848 /nfs/dbraw/zinc/05/08/48/380050848.db2.gz AVQDVNSELICXHO-GFCCVEGCSA-N 1 0 295.358 2.650 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000175338654 380046883 /nfs/dbraw/zinc/04/68/83/380046883.db2.gz YTAPAHIVDLCKHC-OAHLLOKOSA-N 1 0 277.368 2.511 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336790170 380637926 /nfs/dbraw/zinc/63/79/26/380637926.db2.gz KVNIDXKUOAGCJE-MRVPVSSYSA-N 1 0 272.736 2.573 10 5 CFBERO CCC[N@@H+]1CC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302821055 382326424 /nfs/dbraw/zinc/32/64/24/382326424.db2.gz QBPHHJAGEPJEFO-NSHDSACASA-N 1 0 281.331 2.878 10 5 CFBERO CCOc1cccc(N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382472235 382530092 /nfs/dbraw/zinc/53/00/92/382530092.db2.gz QOBPUYCBTKMKPW-QWRGUYRKSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+][C@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000093211909 184656139 /nfs/dbraw/zinc/65/61/39/184656139.db2.gz KXQYJWPXTQPSRO-VHSXEESVSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+][C@@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000093211918 184656238 /nfs/dbraw/zinc/65/62/38/184656238.db2.gz KXQYJWPXTQPSRO-ZJUUUORDSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+]CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000236214078 382892361 /nfs/dbraw/zinc/89/23/61/382892361.db2.gz BAIUHASBVWFDOB-UHFFFAOYSA-N 1 0 264.112 2.662 10 5 CFBERO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000236185888 382892540 /nfs/dbraw/zinc/89/25/40/382892540.db2.gz XACZMCGDEJCICT-GFCCVEGCSA-N 1 0 298.774 2.963 10 5 CFBERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000282195874 385243887 /nfs/dbraw/zinc/24/38/87/385243887.db2.gz LAUOIZLSPGNBCD-DABQJJPHSA-N 1 0 278.352 2.888 10 5 CFBERO Cc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313201553 393521857 /nfs/dbraw/zinc/52/18/57/393521857.db2.gz YTHLEKBOWBLHOX-LKFCYVNXSA-N 1 0 281.331 2.606 10 5 CFBERO CC(C)[C@H]([NH3+])CCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000336813404 393749807 /nfs/dbraw/zinc/74/98/07/393749807.db2.gz UKHFIKBGDJTEDG-LLVKDONJSA-N 1 0 269.320 2.544 10 5 CFBERO CCOc1cccc(N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000135052698 394209987 /nfs/dbraw/zinc/20/99/87/394209987.db2.gz KXDPWICHANKAFU-NSHDSACASA-N 1 0 293.367 2.557 10 5 CFBERO CCOc1cccc(N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000252847151 286573087 /nfs/dbraw/zinc/57/30/87/286573087.db2.gz DAFMVVLKVSBSJO-RYUDHWBXSA-N 1 0 293.367 2.557 10 5 CFBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)CC ZINC000035414692 172188216 /nfs/dbraw/zinc/18/82/16/172188216.db2.gz NWOJAPKRULVRCO-JTQLQIEISA-N 1 0 252.314 2.882 10 5 CFBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(C)C ZINC000035414678 172188322 /nfs/dbraw/zinc/18/83/22/172188322.db2.gz DIDBZQNBSCOPMN-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037018420 172880237 /nfs/dbraw/zinc/88/02/37/172880237.db2.gz HEHZPYAWNGLPOQ-HQJQHLMTSA-N 1 0 285.731 2.560 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000038050629 174062240 /nfs/dbraw/zinc/06/22/40/174062240.db2.gz SMQUUABTMLCZOR-PWSUYJOCSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+]Cc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080304 174090170 /nfs/dbraw/zinc/09/01/70/174090170.db2.gz HNVSYZGDUOFFFV-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO CCCCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000040507369 174302552 /nfs/dbraw/zinc/30/25/52/174302552.db2.gz ZUEGZKCVJCVXHA-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044493118 175181557 /nfs/dbraw/zinc/18/15/57/175181557.db2.gz ZHOHPBKFSTUEEJ-SECBINFHSA-N 1 0 269.732 2.802 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044502773 175186524 /nfs/dbraw/zinc/18/65/24/175186524.db2.gz JXPYZCSWLYPCKA-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H](CNc1nc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000045014479 175290828 /nfs/dbraw/zinc/29/08/28/175290828.db2.gz JLELXHAMJZDGMY-SNVBAGLBSA-N 1 0 298.774 2.930 10 5 CFBERO Cc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108794 274754053 /nfs/dbraw/zinc/75/40/53/274754053.db2.gz IZAUPQMRHOYXOQ-NEPJUHHUSA-N 1 0 263.341 2.833 10 5 CFBERO CC[NH2+]CC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000130010686 276264555 /nfs/dbraw/zinc/26/45/55/276264555.db2.gz ZGLWRTSNQRXFAU-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO C[NH2+]CCC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000070190086 277266223 /nfs/dbraw/zinc/26/62/23/277266223.db2.gz JQEGTWPEQXDNCA-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000251278632 278281056 /nfs/dbraw/zinc/28/10/56/278281056.db2.gz QMQHVVCERYEGDL-VHRBIJSZSA-N 1 0 264.325 2.549 10 5 CFBERO C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163959502 278557652 /nfs/dbraw/zinc/55/76/52/278557652.db2.gz ULXTYARANXYSRM-ZJUUUORDSA-N 1 0 283.759 2.669 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C[NH3+])C2CCCC2)c1 ZINC000235915523 281015169 /nfs/dbraw/zinc/01/51/69/281015169.db2.gz XLUIYDUZGLYOCR-CYBMUJFWSA-N 1 0 263.341 2.833 10 5 CFBERO C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253196401 290590093 /nfs/dbraw/zinc/59/00/93/290590093.db2.gz STIQLGXHGFJAAW-VHSXEESVSA-N 1 0 283.759 2.669 10 5 CFBERO [NH3+]CC[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000236263413 303390075 /nfs/dbraw/zinc/39/00/75/303390075.db2.gz PENABOUXQFDURR-SNVBAGLBSA-N 1 0 283.759 2.813 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700677 521658450 /nfs/dbraw/zinc/65/84/50/521658450.db2.gz YZKURLGKZWFYIL-ZDUSSCGKSA-N 1 0 263.341 2.799 10 5 CFBERO C[NH2+]Cc1csc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000050441291 522147986 /nfs/dbraw/zinc/14/79/86/522147986.db2.gz VYPZGZMQCQMXFV-UHFFFAOYSA-N 1 0 263.322 2.746 10 5 CFBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000050517203 519727189 /nfs/dbraw/zinc/72/71/89/519727189.db2.gz URBVZLASTQJGQL-UHFFFAOYSA-N 1 0 274.267 2.737 10 5 CFBERO CC(C)[C@@H](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000061686081 519795907 /nfs/dbraw/zinc/79/59/07/519795907.db2.gz FISAJMROKPSLJK-BXKDBHETSA-N 1 0 254.305 2.896 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])c1 ZINC000049218536 519814984 /nfs/dbraw/zinc/81/49/84/519814984.db2.gz CSICAXJNOMMBEC-ZDUSSCGKSA-N 1 0 251.330 2.593 10 5 CFBERO CCC[NH2+]Cc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288627 519950755 /nfs/dbraw/zinc/95/07/55/519950755.db2.gz FEVPLHVRPRGFOJ-UHFFFAOYSA-N 1 0 294.351 2.652 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289275 519952861 /nfs/dbraw/zinc/95/28/61/519952861.db2.gz HTVKOSHOAYDXAN-UHFFFAOYSA-N 1 0 294.351 2.652 10 5 CFBERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061270859 520169832 /nfs/dbraw/zinc/16/98/32/520169832.db2.gz ZBLKCNNPUQSFNU-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000050618736 520183166 /nfs/dbraw/zinc/18/31/66/520183166.db2.gz UAPAUSCCTLHVTB-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CCO[C@@H]1CCC[N@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000050818047 520318895 /nfs/dbraw/zinc/31/88/95/520318895.db2.gz KCNUHSFGXNXGFT-CYBMUJFWSA-N 1 0 293.367 2.637 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)C1CC1 ZINC000050816154 520330550 /nfs/dbraw/zinc/33/05/50/520330550.db2.gz VJLBIUMRBQIGIF-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)C[C@H]1CCCO1 ZINC000050815168 521295804 /nfs/dbraw/zinc/29/58/04/521295804.db2.gz GIGZDMQNRWEUSA-CQSZACIVSA-N 1 0 293.367 2.637 10 5 CFBERO C[NH2+]CCC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000157584748 521984969 /nfs/dbraw/zinc/98/49/69/521984969.db2.gz RIEPKGDYWBPPIO-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)CC1 ZINC000050792153 522645463 /nfs/dbraw/zinc/64/54/63/522645463.db2.gz XZFYIGQWBQQLRD-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO COc1cc(N[C@H](C)CCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313106663 522765222 /nfs/dbraw/zinc/76/52/22/522765222.db2.gz YYNWERUVYFGPCK-SECBINFHSA-N 1 0 285.319 2.672 10 5 CFBERO CC[C@@H]([NH2+]C)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441226 522808492 /nfs/dbraw/zinc/80/84/92/522808492.db2.gz YZGNPEOJYSLWNH-LLVKDONJSA-N 1 0 276.296 2.624 10 5 CFBERO C[N@H+](Cc1ccccc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050793036 523348286 /nfs/dbraw/zinc/34/82/86/523348286.db2.gz QFAHUTHMWAQUFG-UHFFFAOYSA-N 1 0 271.320 2.809 10 5 CFBERO CN(c1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000048570616 523641206 /nfs/dbraw/zinc/64/12/06/523641206.db2.gz OSVOHJZWEYOUJU-DHHPTOIESA-N 1 0 295.770 2.967 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000310390007 524140106 /nfs/dbraw/zinc/14/01/06/524140106.db2.gz DJUSEXSDGSRNCK-MRVPVSSYSA-N 1 0 257.721 2.788 10 5 CFBERO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049553773 524170722 /nfs/dbraw/zinc/17/07/22/524170722.db2.gz QEBJGECXAZZZJG-VXGBXAGGSA-N 1 0 265.357 2.586 10 5 CFBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000336813109 524171237 /nfs/dbraw/zinc/17/12/37/524171237.db2.gz BQXCOOIBAFCIHI-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000310368435 524457008 /nfs/dbraw/zinc/45/70/08/524457008.db2.gz WHIJPQAPMGKSGK-QMMMGPOBSA-N 1 0 257.721 2.788 10 5 CFBERO COc1ccc(N[C@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049218791 524709902 /nfs/dbraw/zinc/70/99/02/524709902.db2.gz MSZMYZPBTIDWQI-CYBMUJFWSA-N 1 0 281.356 2.602 10 5 CFBERO Cc1ccc(N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000061701211 525314919 /nfs/dbraw/zinc/31/49/19/525314919.db2.gz FVSNWQHWZJAUFD-CYBMUJFWSA-N 1 0 275.352 2.990 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944595 525565158 /nfs/dbraw/zinc/56/51/58/525565158.db2.gz HIBHJXOWKVXJLZ-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc(-c2csc(C[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000054160929 525782268 /nfs/dbraw/zinc/78/22/68/525782268.db2.gz APWMVCJDGFXCFH-VIFPVBQESA-N 1 0 277.349 2.916 10 5 CFBERO Cc1c(N[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062724488 525875732 /nfs/dbraw/zinc/87/57/32/525875732.db2.gz ZRBUVTDGVXGUME-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO COc1cccc(COc2cc(C[NH3+])ccc2[N+](=O)[O-])c1 ZINC000050516413 526061569 /nfs/dbraw/zinc/06/15/69/526061569.db2.gz RGHNDPMBDSEXCL-UHFFFAOYSA-N 1 0 288.303 2.641 10 5 CFBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089092327 527235237 /nfs/dbraw/zinc/23/52/37/527235237.db2.gz QRXYDODKWZLTSW-KCJUWKMLSA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2cccc(F)c2F)c1 ZINC000050516298 527257170 /nfs/dbraw/zinc/25/71/70/527257170.db2.gz AQPNOFJUXFKPFF-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)C1CCCC1 ZINC000050445242 527332520 /nfs/dbraw/zinc/33/25/20/527332520.db2.gz VAVFARJPMYSLGC-UHFFFAOYSA-N 1 0 298.770 2.985 10 5 CFBERO O=[N+]([O-])c1cc(F)cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063201486 527337375 /nfs/dbraw/zinc/33/73/75/527337375.db2.gz HVOXNKIXRIFWMV-OAHLLOKOSA-N 1 0 293.342 2.702 10 5 CFBERO [NH3+][C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000063177711 527407880 /nfs/dbraw/zinc/40/78/80/527407880.db2.gz MXGQQWDYRAMCCZ-VHSXEESVSA-N 1 0 289.257 2.905 10 5 CFBERO COc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCCCC2)c1 ZINC000261865323 618157244 /nfs/dbraw/zinc/15/72/44/618157244.db2.gz YKCJIWURNICJER-UHFFFAOYSA-N 1 0 279.340 2.677 10 5 CFBERO CC(C)([NH3+])CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000310308228 618277937 /nfs/dbraw/zinc/27/79/37/618277937.db2.gz PPYKTDICRCGUKQ-UHFFFAOYSA-N 1 0 257.721 2.788 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCC[NH2+]C1 ZINC000236048475 618335179 /nfs/dbraw/zinc/33/51/79/618335179.db2.gz KFNNBDWGXHCHLE-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235645644 618396571 /nfs/dbraw/zinc/39/65/71/618396571.db2.gz NUUOCBGIQLQJCJ-ZETCQYMHSA-N 1 0 290.150 2.700 10 5 CFBERO [NH3+][C@@H]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000310988711 618668109 /nfs/dbraw/zinc/66/81/09/618668109.db2.gz GGSLPHPUAJXSOB-WCBMZHEXSA-N 1 0 269.732 2.788 10 5 CFBERO COc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860581 623122605 /nfs/dbraw/zinc/12/26/05/623122605.db2.gz GNCROTSKMWEVBT-GXSJLCMTSA-N 1 0 297.330 2.672 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070175024 625278981 /nfs/dbraw/zinc/27/89/81/625278981.db2.gz SKXDCLAZULMWRU-NXEZZACHSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125209142 642556128 /nfs/dbraw/zinc/55/61/28/642556128.db2.gz AGHBADNHNXLLEF-UWVGGRQHSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108797 650827808 /nfs/dbraw/zinc/82/78/08/650827808.db2.gz OQELPZYTMBBAFZ-DGCLKSJQSA-N 1 0 263.341 2.833 10 5 CFBERO C[C@@]1(CNc2cccc(F)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129391942 645175465 /nfs/dbraw/zinc/17/54/65/645175465.db2.gz DLZHCXAHCXNBDE-CYBMUJFWSA-N 1 0 267.304 2.536 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000130530172 645519117 /nfs/dbraw/zinc/51/91/17/645519117.db2.gz IQZUWYYERHJFEV-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCC[NH2+]C1 ZINC000130586636 645529104 /nfs/dbraw/zinc/52/91/04/645529104.db2.gz AAULVMSNNMNTCR-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO CC[N+](C)(CC)C[C@H](O)COc1ccccc1C1CC1 ZINC000003627698 717096100 /nfs/dbraw/zinc/09/61/00/717096100.db2.gz XIXXTIDYQYCTAI-HNNXBMFYSA-N 1 0 278.416 2.790 10 5 CFBERO C[C@@](O)(C#Cc1ccccc1)CC[N+]1(C)CCCCC1 ZINC000033756334 717122204 /nfs/dbraw/zinc/12/22/04/717122204.db2.gz LLOQJXLENQOCIM-GOSISDBHSA-N 1 0 272.412 2.810 10 5 CFBERO CC[N+](/C=C/S(=O)(=O)c1ccccc1)(CC)CC ZINC000205331766 717159792 /nfs/dbraw/zinc/15/97/92/717159792.db2.gz PNKIZJMAXUFFCV-OUKQBFOZSA-N 1 0 268.402 2.808 10 5 CFBERO C[NH+](C)C[C@H](O)c1nc2ccccc2c2ccccc21 ZINC000032195787 346301371 /nfs/dbraw/zinc/30/13/71/346301371.db2.gz BXPZEMJCCBFBDK-INIZCTEOSA-N 1 0 266.344 2.983 10 5 CFBERO C[NH+](C)C[C@@H](O)c1nc2ccccc2c2ccccc21 ZINC000032195783 346301489 /nfs/dbraw/zinc/30/14/89/346301489.db2.gz BXPZEMJCCBFBDK-MRXNPFEDSA-N 1 0 266.344 2.983 10 5 CFBERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037163980 346327785 /nfs/dbraw/zinc/32/77/85/346327785.db2.gz AYEBLQSGUISVRD-JKOKRWQUSA-N 1 0 264.325 2.549 10 5 CFBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000039081268 346341247 /nfs/dbraw/zinc/34/12/47/346341247.db2.gz XUEGTRAAKYFHEN-UHFFFAOYSA-N 1 0 266.366 2.922 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085963108 179204587 /nfs/dbraw/zinc/20/45/87/179204587.db2.gz WVJAUFRSQTZWPT-HZMBPMFUSA-N 1 0 298.770 2.889 10 5 CFBERO C[NH+](C)CCOc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000113847233 347769191 /nfs/dbraw/zinc/76/91/91/347769191.db2.gz BENAJWLVOIIRSK-UHFFFAOYSA-N 1 0 266.341 2.833 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111830675 347757263 /nfs/dbraw/zinc/75/72/63/347757263.db2.gz JSHUVKIFYVDJJY-NSHDSACASA-N 1 0 288.351 2.928 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000086817770 179345800 /nfs/dbraw/zinc/34/58/00/179345800.db2.gz DUOBHSFXSJIPKD-LLVKDONJSA-N 1 0 267.304 2.630 10 5 CFBERO CC[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000233959059 348218405 /nfs/dbraw/zinc/21/84/05/348218405.db2.gz SUVWGAVVHGJZIO-KOLCDFICSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000320686747 348436836 /nfs/dbraw/zinc/43/68/36/348436836.db2.gz MBZNSUDLGUBBNX-JGVFFNPUSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000320797385 348437127 /nfs/dbraw/zinc/43/71/27/348437127.db2.gz GRYRGUAOVHXCEC-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO Cc1cc(NCCC2(C[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000404561032 348593200 /nfs/dbraw/zinc/59/32/00/348593200.db2.gz VQGFGEYRPNXZCR-UHFFFAOYSA-N 1 0 267.304 2.583 10 5 CFBERO [NH3+]C[C@@]1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000088007826 179535344 /nfs/dbraw/zinc/53/53/44/179535344.db2.gz NOSCGRSECJJWRC-KRWDZBQOSA-N 1 0 282.343 2.980 10 5 CFBERO CC1([NH3+])CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000591434673 349020760 /nfs/dbraw/zinc/02/07/60/349020760.db2.gz IWLAQNCVLOCXRY-UHFFFAOYSA-N 1 0 269.732 2.566 10 5 CFBERO Cc1cccc(NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593233170 349232604 /nfs/dbraw/zinc/23/26/04/349232604.db2.gz LBIGASZGUYKOKW-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000129663984 187446380 /nfs/dbraw/zinc/44/63/80/187446380.db2.gz RPOCHGGZIHDZGL-UHFFFAOYSA-N 1 0 277.246 2.763 10 5 CFBERO CC[N@@H+]1CC[C@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000107776122 186190112 /nfs/dbraw/zinc/19/01/12/186190112.db2.gz FFINTRJEGJXEDG-GFCCVEGCSA-N 1 0 297.786 2.680 10 5 CFBERO Cc1cc(N2CCCCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000600958504 350637330 /nfs/dbraw/zinc/63/73/30/350637330.db2.gz GYTGCPIKFJNJGB-GFCCVEGCSA-N 1 0 263.341 2.611 10 5 CFBERO CC[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558610 189300587 /nfs/dbraw/zinc/30/05/87/189300587.db2.gz STZAZXGJIMPTMJ-RISCZKNCSA-N 1 0 292.335 2.589 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463465 201017247 /nfs/dbraw/zinc/01/72/47/201017247.db2.gz FUGZUSHGZCVLRM-GFCCVEGCSA-N 1 0 281.331 2.654 10 5 CFBERO CCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036959632 372617318 /nfs/dbraw/zinc/61/73/18/372617318.db2.gz UBYFSHQXXQFFHK-SMDDNHRTSA-N 1 0 293.367 2.550 10 5 CFBERO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000075782924 374503634 /nfs/dbraw/zinc/50/36/34/374503634.db2.gz VJRKHHORMNWHTR-RNCFNFMXSA-N 1 0 284.743 2.905 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089165719 374882721 /nfs/dbraw/zinc/88/27/21/374882721.db2.gz RKJDNAYOYHRSJP-WHOFXGATSA-N 1 0 278.352 2.715 10 5 CFBERO O=[N+]([O-])c1ccc2sc(NC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092056 375413201 /nfs/dbraw/zinc/41/32/01/375413201.db2.gz VGSUVTCZLQGBGI-VIFPVBQESA-N 1 0 292.364 2.759 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000130581072 377580108 /nfs/dbraw/zinc/58/01/08/377580108.db2.gz PHEWJFSDANXGQH-LLVKDONJSA-N 1 0 267.329 2.533 10 5 CFBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000137335510 378223924 /nfs/dbraw/zinc/22/39/24/378223924.db2.gz PAXFSMBOYWDBTN-SECBINFHSA-N 1 0 289.257 2.541 10 5 CFBERO CCc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194455 380192693 /nfs/dbraw/zinc/19/26/93/380192693.db2.gz LQGULPJFMQCTMK-GFCCVEGCSA-N 1 0 288.351 2.705 10 5 CFBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382506693 382532127 /nfs/dbraw/zinc/53/21/27/382532127.db2.gz MZWZMGWCQDSCPZ-WCBMZHEXSA-N 1 0 269.732 2.788 10 5 CFBERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259019 382612853 /nfs/dbraw/zinc/61/28/53/382612853.db2.gz CVCXDFNFUOGAIX-TZMCWYRMSA-N 1 0 277.368 2.648 10 5 CFBERO [NH3+][C@@H](CCF)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000575438393 382771075 /nfs/dbraw/zinc/77/10/75/382771075.db2.gz IREFRCTVMXJWEJ-QMMMGPOBSA-N 1 0 277.093 2.717 10 5 CFBERO C[C@@H]([NH2+]CCOCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000231666130 382865862 /nfs/dbraw/zinc/86/58/62/382865862.db2.gz PZSDCPWSNGKWMA-LLVKDONJSA-N 1 0 264.325 2.672 10 5 CFBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000261575121 383518641 /nfs/dbraw/zinc/51/86/41/383518641.db2.gz JPBWVYPSBJQXMV-RQJHMYQMSA-N 1 0 288.145 2.505 10 5 CFBERO O=[N+]([O-])c1ccc2sc(S[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092247 184941298 /nfs/dbraw/zinc/94/12/98/184941298.db2.gz BQJZLZBOVIYCOF-QMMMGPOBSA-N 1 0 281.362 2.659 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000094663396 393809097 /nfs/dbraw/zinc/80/90/97/393809097.db2.gz PCRUCQBKBAKYHL-NEPJUHHUSA-N 1 0 263.341 2.833 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000050792482 522645822 /nfs/dbraw/zinc/64/58/22/522645822.db2.gz OHZQCSWGHZKWAE-NSHDSACASA-N 1 0 263.341 2.868 10 5 CFBERO CC(CO)(CO)[NH2+]Cc1cccc2ccc3ccccc3c21 ZINC000005761722 170137867 /nfs/dbraw/zinc/13/78/67/170137867.db2.gz QRKAYXCMKGJZHZ-UHFFFAOYSA-N 1 0 295.382 2.826 10 5 CFBERO C[NH+](C)CCNC(=O)c1cccc2c3ccccc3cnc12 ZINC000005957870 170162628 /nfs/dbraw/zinc/16/26/28/170162628.db2.gz GRQOSTWVZBKPGG-UHFFFAOYSA-N 1 0 293.370 2.679 10 5 CFBERO CC1(C)CC(NCc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000020143439 171029227 /nfs/dbraw/zinc/02/92/27/171029227.db2.gz HSIGVRGANLFPTQ-UHFFFAOYSA-N 1 0 291.395 2.994 10 5 CFBERO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035458640 172207702 /nfs/dbraw/zinc/20/77/02/172207702.db2.gz VNORMWCMXWGZOS-LLVKDONJSA-N 1 0 252.295 2.867 10 5 CFBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000038043381 174050245 /nfs/dbraw/zinc/05/02/45/174050245.db2.gz OZEVHSCWMCUURI-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO CCC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079320 174089337 /nfs/dbraw/zinc/08/93/37/174089337.db2.gz YKCUPIAGKTUQHO-UHFFFAOYSA-N 1 0 252.314 2.752 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080568 174090186 /nfs/dbraw/zinc/09/01/86/174090186.db2.gz MPKAYSNQXVZBNJ-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO NC(=[NH2+])c1cccc(COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000043473004 175053839 /nfs/dbraw/zinc/05/38/39/175053839.db2.gz YSESLQXXKYASLI-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000043499231 175058228 /nfs/dbraw/zinc/05/82/28/175058228.db2.gz SIYQNOHNWDVVIM-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044388907 175170645 /nfs/dbraw/zinc/17/06/45/175170645.db2.gz GFXWKOIVRMROMD-LBPRGKRZSA-N 1 0 265.357 2.983 10 5 CFBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c2cccnc21 ZINC000044509252 175186971 /nfs/dbraw/zinc/18/69/71/175186971.db2.gz HAVXVXBPXKIRKN-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563312 175206619 /nfs/dbraw/zinc/20/66/19/175206619.db2.gz LVRUPJICEGAYLM-LBPRGKRZSA-N 1 0 267.304 2.630 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000044563149 175207004 /nfs/dbraw/zinc/20/70/04/175207004.db2.gz WBTILRARKVDLJU-LLVKDONJSA-N 1 0 267.304 2.630 10 5 CFBERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000045171455 175320883 /nfs/dbraw/zinc/32/08/83/175320883.db2.gz MKSXGEFWKGLTCS-SNVBAGLBSA-N 1 0 288.351 2.796 10 5 CFBERO C[C@H](C[NH3+])COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075914125 176828569 /nfs/dbraw/zinc/82/85/69/176828569.db2.gz LHYHZQVRUFDQRX-SSDOTTSWSA-N 1 0 278.230 2.587 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077466059 177272010 /nfs/dbraw/zinc/27/20/10/177272010.db2.gz QTPRNJKIJXGTNJ-QMTHXVAHSA-N 1 0 298.770 2.889 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089092329 274949415 /nfs/dbraw/zinc/94/94/15/274949415.db2.gz QRXYDODKWZLTSW-KWQFWETISA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000038050949 274955781 /nfs/dbraw/zinc/95/57/81/274955781.db2.gz WGCWMOFVLHNRQF-NEPJUHHUSA-N 1 0 286.335 2.825 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(SC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092140 275039207 /nfs/dbraw/zinc/03/92/07/275039207.db2.gz NHKWDEKVQHEUOC-SECBINFHSA-N 1 0 292.364 2.705 10 5 CFBERO C[NH2+]CCC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000234358672 277266172 /nfs/dbraw/zinc/26/61/72/277266172.db2.gz ZQWASYDYHSEJLB-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO C[NH2+]C[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125190768 277283430 /nfs/dbraw/zinc/28/34/30/277283430.db2.gz KDCMIDGYLLNKBB-SNVBAGLBSA-N 1 0 283.759 2.684 10 5 CFBERO CCOc1cccc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135054075 279971923 /nfs/dbraw/zinc/97/19/23/279971923.db2.gz DAFMVVLKVSBSJO-NEPJUHHUSA-N 1 0 293.367 2.557 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130595385 280705928 /nfs/dbraw/zinc/70/59/28/280705928.db2.gz XTDJYOKCJIPJQK-LLVKDONJSA-N 1 0 274.324 2.538 10 5 CFBERO Cc1cccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000235996160 281225919 /nfs/dbraw/zinc/22/59/19/281225919.db2.gz FLABAAHVGSEACU-CQSZACIVSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235256565 281248518 /nfs/dbraw/zinc/24/85/18/281248518.db2.gz SGMSFXKBSFIBQV-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228550865 295316915 /nfs/dbraw/zinc/31/69/15/295316915.db2.gz VRVCLZMKSOHMLG-MVWJERBFSA-N 1 0 295.770 2.812 10 5 CFBERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049558236 519344212 /nfs/dbraw/zinc/34/42/12/519344212.db2.gz SKVYQHXZCBETIN-CYBMUJFWSA-N 1 0 265.357 2.983 10 5 CFBERO CCC1CC[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050817728 519859678 /nfs/dbraw/zinc/85/96/78/519859678.db2.gz AWPIZZDUSILTSL-UHFFFAOYSA-N 1 0 263.341 2.799 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000050517015 520001851 /nfs/dbraw/zinc/00/18/51/520001851.db2.gz UMASYGOAQRSTJO-UHFFFAOYSA-N 1 0 278.230 2.645 10 5 CFBERO CCNc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050814681 520304493 /nfs/dbraw/zinc/30/44/93/520304493.db2.gz XLTHQMZIANUWHG-NSHDSACASA-N 1 0 263.341 2.868 10 5 CFBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439782 522369279 /nfs/dbraw/zinc/36/92/79/522369279.db2.gz UQCFLHYWOUAUGJ-OQPBUACISA-N 1 0 279.340 2.524 10 5 CFBERO C/C=C/COc1cc(C[NH2+]CC)ccc1[N+](=O)[O-] ZINC000050516978 518518543 /nfs/dbraw/zinc/51/85/43/518518543.db2.gz OXVDSBYIMRBSBZ-HWKANZROSA-N 1 0 250.298 2.659 10 5 CFBERO CC(C)C[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C1CC1 ZINC000051145155 519718345 /nfs/dbraw/zinc/71/83/45/519718345.db2.gz VUZBAPFDVJBNTF-UHFFFAOYSA-N 1 0 278.356 2.501 10 5 CFBERO CC(C)[NH2+]CCOc1ccc2scnc2c1[N+](=O)[O-] ZINC000051871700 519721749 /nfs/dbraw/zinc/72/17/49/519721749.db2.gz DOQRNXLMCDSAKG-UHFFFAOYSA-N 1 0 281.337 2.581 10 5 CFBERO CC(C)C[C@@H](C[NH+](C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049555701 519775977 /nfs/dbraw/zinc/77/59/77/519775977.db2.gz ROARNTBNSJXILA-AWEZNQCLSA-N 1 0 297.374 2.800 10 5 CFBERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000133574662 519796409 /nfs/dbraw/zinc/79/64/09/519796409.db2.gz QHWVHUVPTBIOJI-NSHDSACASA-N 1 0 269.320 2.544 10 5 CFBERO CC[NH2+]CCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471341 519919902 /nfs/dbraw/zinc/91/99/02/519919902.db2.gz OKGWEDCIEIAFEC-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CCOC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443979 520075666 /nfs/dbraw/zinc/07/56/66/520075666.db2.gz KVCRFPAZYQLJSG-SECBINFHSA-N 1 0 272.732 2.763 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2C)o1 ZINC000050618748 520183738 /nfs/dbraw/zinc/18/37/38/520183738.db2.gz YROANQUIIJDSJQ-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CC[NH2+][C@H]1CCC[C@H]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000048770284 520215545 /nfs/dbraw/zinc/21/55/45/520215545.db2.gz GKZJXIDCGLWSRV-FZMZJTMJSA-N 1 0 278.352 2.924 10 5 CFBERO CCNc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050814682 520304116 /nfs/dbraw/zinc/30/41/16/520304116.db2.gz XLTHQMZIANUWHG-LLVKDONJSA-N 1 0 263.341 2.868 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000050814687 520330742 /nfs/dbraw/zinc/33/07/42/520330742.db2.gz VXNHFBYZKJQLPU-NSHDSACASA-N 1 0 263.341 2.868 10 5 CFBERO CCOc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070175135 520750016 /nfs/dbraw/zinc/75/00/16/520750016.db2.gz NBPDIDSFCKAJHZ-NEPJUHHUSA-N 1 0 293.367 2.557 10 5 CFBERO CCOc1cccc(N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000311420509 521400497 /nfs/dbraw/zinc/40/04/97/521400497.db2.gz KOGQWUYWLNKYAN-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO CCC(CC)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816960 521553471 /nfs/dbraw/zinc/55/34/71/521553471.db2.gz NUITUGALQZQDCD-UHFFFAOYSA-N 1 0 295.383 2.619 10 5 CFBERO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C(C)C ZINC000050813141 521681701 /nfs/dbraw/zinc/68/17/01/521681701.db2.gz JJGRCAXAGGDKJQ-UHFFFAOYSA-N 1 0 251.330 2.797 10 5 CFBERO COc1cc(NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000261637410 522738219 /nfs/dbraw/zinc/73/82/19/522738219.db2.gz BWQNNUVBXOKBOY-UHFFFAOYSA-N 1 0 279.340 2.677 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CCNCc1ccccc1[N+](=O)[O-] ZINC000052206276 523792055 /nfs/dbraw/zinc/79/20/55/523792055.db2.gz XTQDEFHPHRLCRP-CQSZACIVSA-N 1 0 277.368 2.559 10 5 CFBERO CC[C@H](C)[N@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813081 523934590 /nfs/dbraw/zinc/93/45/90/523934590.db2.gz RVKKEHRTAFEDEA-JTQLQIEISA-N 1 0 251.330 2.797 10 5 CFBERO COc1ccc(C[C@@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000048770726 524141310 /nfs/dbraw/zinc/14/13/10/524141310.db2.gz BOYPTEVIAADALR-RYUDHWBXSA-N 1 0 264.325 2.663 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000310947830 524454445 /nfs/dbraw/zinc/45/44/45/524454445.db2.gz YDGWJQKNHMVJTM-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000157583329 524907566 /nfs/dbraw/zinc/90/75/66/524907566.db2.gz LBRJYZMJNGMSOZ-AWEZNQCLSA-N 1 0 289.379 2.872 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157893110 525012025 /nfs/dbraw/zinc/01/20/25/525012025.db2.gz CPVXNXWJVWLGFP-ZYHUDNBSSA-N 1 0 297.786 2.807 10 5 CFBERO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000313067663 525069557 /nfs/dbraw/zinc/06/95/57/525069557.db2.gz JLCYQEJOXCZFGQ-WDEREUQCSA-N 1 0 281.331 2.606 10 5 CFBERO Cc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701294 525310537 /nfs/dbraw/zinc/31/05/37/525310537.db2.gz USWGCGCCLKQLIK-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000052278840 525328635 /nfs/dbraw/zinc/32/86/35/525328635.db2.gz XDMPZCIGJCBPTD-HQJQHLMTSA-N 1 0 285.141 2.855 10 5 CFBERO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000061701621 525425168 /nfs/dbraw/zinc/42/51/68/525425168.db2.gz WOEGPAPBJOBPKI-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CSC ZINC000069447561 525460921 /nfs/dbraw/zinc/46/09/21/525460921.db2.gz PYAGRRNTUZDQQT-SNVBAGLBSA-N 1 0 284.381 2.692 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCC1 ZINC000049184172 525569897 /nfs/dbraw/zinc/56/98/97/525569897.db2.gz WDXVYAXWWIKXDW-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054307155 527167281 /nfs/dbraw/zinc/16/72/81/527167281.db2.gz AJTLKIKMPZFAJG-SECBINFHSA-N 1 0 297.742 2.576 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCC2CCCC2)c1 ZINC000050516086 527257652 /nfs/dbraw/zinc/25/76/52/527257652.db2.gz QSMNUCPPRPOZTN-UHFFFAOYSA-N 1 0 250.298 2.623 10 5 CFBERO [NH3+][C@@H](CC[C@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000069395981 527331289 /nfs/dbraw/zinc/33/12/89/527331289.db2.gz ZDTATYBMNZZEJP-DZGCQCFKSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1COC[C@H]1CCC[NH2+]C1 ZINC000051815539 527334664 /nfs/dbraw/zinc/33/46/64/527334664.db2.gz BNGHWQQJZZVMLK-JTQLQIEISA-N 1 0 284.743 2.764 10 5 CFBERO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000050892320 527337935 /nfs/dbraw/zinc/33/79/35/527337935.db2.gz MHWGWOBMEIGQAQ-AWEZNQCLSA-N 1 0 284.315 2.772 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NCC[C@H]1CCC[NH2+]1 ZINC000166892756 527355359 /nfs/dbraw/zinc/35/53/59/527355359.db2.gz LBIXLKJDRAUIKV-SNVBAGLBSA-N 1 0 269.732 2.802 10 5 CFBERO O=[N+]([O-])c1cccc(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765158 527390705 /nfs/dbraw/zinc/39/07/05/527390705.db2.gz BISIWLLXUWKNEX-NSHDSACASA-N 1 0 250.298 2.506 10 5 CFBERO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000312655902 618408285 /nfs/dbraw/zinc/40/82/85/618408285.db2.gz GGHPDFGOVXUCGA-PHIMTYICSA-N 1 0 295.770 2.684 10 5 CFBERO C[C@@H]1[C@@H]([NH3+])CCN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310789196 618639475 /nfs/dbraw/zinc/63/94/75/618639475.db2.gz QMVGOKDOWMWRDP-LDWIPMOCSA-N 1 0 290.150 2.828 10 5 CFBERO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000070190183 625280463 /nfs/dbraw/zinc/28/04/63/625280463.db2.gz OVEIWWKLWREBEN-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CCOc1cc(N2CCCC[C@@H]2C[NH2+]C)ccc1[N+](=O)[O-] ZINC000111051703 618969866 /nfs/dbraw/zinc/96/98/66/618969866.db2.gz WGMBJMGCFYXLRG-CYBMUJFWSA-N 1 0 293.367 2.572 10 5 CFBERO [NH3+][C@H]1CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093211851 618990039 /nfs/dbraw/zinc/99/00/39/618990039.db2.gz CYVDZRTXDOJADF-VHSXEESVSA-N 1 0 269.732 2.930 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NCC1CC[NH2+]CC1 ZINC000094009821 619072065 /nfs/dbraw/zinc/07/20/65/619072065.db2.gz UFMPUQMZJNURGI-UHFFFAOYSA-N 1 0 269.732 2.660 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1NCC[C@H]1CCC[NH2+]C1 ZINC000261596349 619174221 /nfs/dbraw/zinc/17/42/21/619174221.db2.gz ONWUNFBOYDROEO-SNVBAGLBSA-N 1 0 267.304 2.536 10 5 CFBERO C[C@@H]([NH3+])CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730940 625996056 /nfs/dbraw/zinc/99/60/56/625996056.db2.gz GMKSHTMPZPCUKU-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO CC[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000125223109 642561985 /nfs/dbraw/zinc/56/19/85/642561985.db2.gz ILCGZWYYXVQTGG-ONGXEEELSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000089108406 650827508 /nfs/dbraw/zinc/82/75/08/650827508.db2.gz VUYYVATXCBHOJU-SKDRFNHKSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092322 650827824 /nfs/dbraw/zinc/82/78/24/650827824.db2.gz FDWJLDSEBGNGMR-PSASIEDQSA-N 1 0 269.732 2.788 10 5 CFBERO CCOc1cccc(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000134894192 646400714 /nfs/dbraw/zinc/40/07/14/646400714.db2.gz NONHSQIKMWZIFK-UHFFFAOYSA-N 1 0 279.340 2.675 10 5 CFBERO C[N+]1([C@@H]2CCCC[C@@H]2O)CC[C@H](c2ccccc2)C1 ZINC000059181987 717131443 /nfs/dbraw/zinc/13/14/43/717131443.db2.gz XMBGLPYOSQHNFQ-KTGAGVNESA-N 1 0 260.401 2.924 10 5 CFBERO C[N+](C)(C)c1cccc(OC(=O)c2ccccc2N)c1 ZINC000005159423 717099466 /nfs/dbraw/zinc/09/94/66/717099466.db2.gz YXYQRPMUXYWYAY-UHFFFAOYSA-O 1 0 271.340 2.685 10 5 CFBERO [NH3+]C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000594692002 349475067 /nfs/dbraw/zinc/47/50/67/349475067.db2.gz JARSJHVUVPYXHW-UHFFFAOYSA-N 1 0 269.732 2.932 10 5 CFBERO CCC[C@H]([NH2+]CC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000091424591 347584581 /nfs/dbraw/zinc/58/45/81/347584581.db2.gz XXNVPGGTGUBOCY-KWCHVYNWSA-N 1 0 278.352 2.797 10 5 CFBERO COc1ccc([C@H]([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000141349845 347930575 /nfs/dbraw/zinc/93/05/75/347930575.db2.gz LTJFCKYWCAKQDQ-AWEZNQCLSA-N 1 0 258.277 2.652 10 5 CFBERO CCOc1ccc(N[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000086818452 179347237 /nfs/dbraw/zinc/34/72/37/179347237.db2.gz UOXKLJGGVBGXMC-LBPRGKRZSA-N 1 0 293.367 2.890 10 5 CFBERO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818689 179346862 /nfs/dbraw/zinc/34/68/62/179346862.db2.gz AXPVAOMPBLDCIK-GXTWGEPZSA-N 1 0 277.368 2.730 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCCC[NH2+]1 ZINC000236048453 348231127 /nfs/dbraw/zinc/23/11/27/348231127.db2.gz MYWNTHHDDXNOJL-VIFPVBQESA-N 1 0 269.732 2.802 10 5 CFBERO [NH3+]Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000315351823 348428595 /nfs/dbraw/zinc/42/85/95/348428595.db2.gz CWVHWHBATJMIIG-UHFFFAOYSA-N 1 0 286.291 2.698 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000320797380 348437690 /nfs/dbraw/zinc/43/76/90/348437690.db2.gz GRYRGUAOVHXCEC-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO CCOc1cc(NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000404611897 348592898 /nfs/dbraw/zinc/59/28/98/348592898.db2.gz PVHHZZUSCPTKTF-UHFFFAOYSA-N 1 0 279.340 2.534 10 5 CFBERO [NH3+]CC1(Cc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000088007694 179535339 /nfs/dbraw/zinc/53/53/39/179535339.db2.gz KOPSQSKRWJSVGN-UHFFFAOYSA-N 1 0 282.343 2.881 10 5 CFBERO C[NH+](C)CC(C)(C)COc1ccc([N+](=O)[O-])cc1 ZINC000584621135 348692926 /nfs/dbraw/zinc/69/29/26/348692926.db2.gz BPBHZYGUVCRVJF-UHFFFAOYSA-N 1 0 252.314 2.561 10 5 CFBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000600962705 350638687 /nfs/dbraw/zinc/63/86/87/350638687.db2.gz KCRWMNFCRSERAL-HTQZYQBOSA-N 1 0 289.257 2.540 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000236307227 283579339 /nfs/dbraw/zinc/57/93/39/283579339.db2.gz GNGDBCOQPNNJOK-JFGNBEQYSA-N 1 0 295.770 2.812 10 5 CFBERO Cc1ccnc(NC[C@@H]2CCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000301843011 201227463 /nfs/dbraw/zinc/22/74/63/201227463.db2.gz KIKRJHLFTCVUPQ-ZDUSSCGKSA-N 1 0 292.383 2.831 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252876582 299365460 /nfs/dbraw/zinc/36/54/60/299365460.db2.gz QXYONIYJJBCSEY-NILFDRSVSA-N 1 0 278.352 2.939 10 5 CFBERO CC[N+]1(CC)C[C@H](C)O[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000162677 371546991 /nfs/dbraw/zinc/54/69/91/371546991.db2.gz NIMLGHCVCRUGIZ-WFASDCNBSA-N 1 0 284.807 2.760 10 5 CFBERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518597 372109160 /nfs/dbraw/zinc/10/91/60/372109160.db2.gz MIBFDCITSMDLCG-MNOVXSKESA-N 1 0 279.340 2.556 10 5 CFBERO [NH3+][C@H]1CN(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795951 372189803 /nfs/dbraw/zinc/18/98/03/372189803.db2.gz LAZYAURLTNWSII-AWEZNQCLSA-N 1 0 287.294 2.754 10 5 CFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000029577319 372382839 /nfs/dbraw/zinc/38/28/39/372382839.db2.gz JYZJEIHCYWOLQM-NWDGAFQWSA-N 1 0 293.367 2.864 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000053255230 373471389 /nfs/dbraw/zinc/47/13/89/373471389.db2.gz LMYOBLYHYDGNKH-VIFPVBQESA-N 1 0 289.257 2.778 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070174933 374142157 /nfs/dbraw/zinc/14/21/57/374142157.db2.gz DYLBSBBAGFPZMP-UWVGGRQHSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000094663265 375373710 /nfs/dbraw/zinc/37/37/10/375373710.db2.gz ZOSVOQVXPKAKHE-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1ccc2sc(NC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092057 375413310 /nfs/dbraw/zinc/41/33/10/375413310.db2.gz VGSUVTCZLQGBGI-SECBINFHSA-N 1 0 292.364 2.759 10 5 CFBERO CCOc1cccc(NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129312449 377411525 /nfs/dbraw/zinc/41/15/25/377411525.db2.gz TVPOFNFNEUCULU-OAHLLOKOSA-N 1 0 293.367 2.795 10 5 CFBERO CCC([NH3+])(CC)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000130098590 377509850 /nfs/dbraw/zinc/50/98/50/377509850.db2.gz OADDXBNFXKCABJ-UHFFFAOYSA-N 1 0 272.736 2.573 10 5 CFBERO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135610518 378150221 /nfs/dbraw/zinc/15/02/21/378150221.db2.gz BUQUAGDEBMTHTR-HIFRSBDPSA-N 1 0 278.352 2.686 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443644 378264076 /nfs/dbraw/zinc/26/40/76/378264076.db2.gz HCCRZJLKBVHIDG-SCZZXKLOSA-N 1 0 284.747 2.573 10 5 CFBERO C[C@@H]1O[C@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2 ZINC000000162697 169559137 /nfs/dbraw/zinc/55/91/37/169559137.db2.gz WYAGXNHBWYSTNJ-WFASDCNBSA-N 1 0 282.791 2.862 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183336549 381257907 /nfs/dbraw/zinc/25/79/07/381257907.db2.gz NRULTQIWBFGLBY-INIZCTEOSA-N 1 0 291.395 2.819 10 5 CFBERO CCOc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382450574 382530430 /nfs/dbraw/zinc/53/04/30/382530430.db2.gz DZHRQPVBDUCZMT-WDEREUQCSA-N 1 0 279.340 2.675 10 5 CFBERO CC[C@@H]([NH2+][C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457780 382614103 /nfs/dbraw/zinc/61/41/03/382614103.db2.gz RQWUSHARGQGJMR-DZGCQCFKSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000389726262 382616134 /nfs/dbraw/zinc/61/61/34/382616134.db2.gz LBDQRJUWZMFZJY-PELKAZGASA-N 1 0 269.732 2.658 10 5 CFBERO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231670962 382865802 /nfs/dbraw/zinc/86/58/02/382865802.db2.gz NRXXJSHYCXQNJD-CYBMUJFWSA-N 1 0 297.786 2.822 10 5 CFBERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249614723 383354167 /nfs/dbraw/zinc/35/41/67/383354167.db2.gz RVAONPMLZDTITK-TZMCWYRMSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000249730051 383358491 /nfs/dbraw/zinc/35/84/91/383358491.db2.gz YYDQXUIGHIMDSN-LEWSCRJBSA-N 1 0 264.325 2.549 10 5 CFBERO Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261734545 383549675 /nfs/dbraw/zinc/54/96/75/383549675.db2.gz LLLUVPVWGAXIII-AWEZNQCLSA-N 1 0 281.331 2.844 10 5 CFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000070693829 285111306 /nfs/dbraw/zinc/11/13/06/285111306.db2.gz RFVFOPSTOCDIEB-JKSUJKDBSA-N 1 0 290.363 2.781 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(SC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092144 184940782 /nfs/dbraw/zinc/94/07/82/184940782.db2.gz YGXGMXDPWFDPBN-VIFPVBQESA-N 1 0 292.364 2.563 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358412182 394107334 /nfs/dbraw/zinc/10/73/34/394107334.db2.gz YNJLXDOBADKVIH-BYCMXARLSA-N 1 0 277.368 2.586 10 5 CFBERO CC1(C)CC(NCc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000020143441 171028812 /nfs/dbraw/zinc/02/88/12/171028812.db2.gz APDZUBBRPVFBNQ-UHFFFAOYSA-N 1 0 291.395 2.994 10 5 CFBERO CC(C)[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020145976 171031820 /nfs/dbraw/zinc/03/18/20/171031820.db2.gz WAIKPJOBWOHQMF-IUODEOHRSA-N 1 0 279.384 2.832 10 5 CFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386467 173169693 /nfs/dbraw/zinc/16/96/93/173169693.db2.gz WYTVZFSQOQVDSY-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386468 173169975 /nfs/dbraw/zinc/16/99/75/173169975.db2.gz WYTVZFSQOQVDSY-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386511 173170085 /nfs/dbraw/zinc/17/00/85/173170085.db2.gz XATBUDHLAKVZQM-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO O=C(C[NH2+]C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386882 173171156 /nfs/dbraw/zinc/17/11/56/173171156.db2.gz QZXRXKDBLCAQKC-UHFFFAOYSA-N 1 0 297.742 2.719 10 5 CFBERO CC[C@H]([NH2+]CCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000037416771 173194392 /nfs/dbraw/zinc/19/43/92/173194392.db2.gz NCOICTMROYNYDN-ZDUSSCGKSA-N 1 0 280.324 2.589 10 5 CFBERO CCCCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079332 174089365 /nfs/dbraw/zinc/08/93/65/174089365.db2.gz RLDHUVMYATUOSW-UHFFFAOYSA-N 1 0 252.314 2.753 10 5 CFBERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000038129881 174131780 /nfs/dbraw/zinc/13/17/80/174131780.db2.gz IFGFBGGGZFPTEG-JTQLQIEISA-N 1 0 250.229 2.569 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)nc1OCC[NH+]1CCCCC1 ZINC000040240220 174212935 /nfs/dbraw/zinc/21/29/35/174212935.db2.gz OJCGKJROMLJABI-UHFFFAOYSA-N 1 0 285.731 2.508 10 5 CFBERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040593304 174347736 /nfs/dbraw/zinc/34/77/36/174347736.db2.gz HNKUTXSRLGGPQS-QWHCGFSZSA-N 1 0 277.368 2.587 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040622527 174355524 /nfs/dbraw/zinc/35/55/24/174355524.db2.gz UWGBUHCLEULMJT-UONOGXRCSA-N 1 0 291.395 2.976 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673507 174371984 /nfs/dbraw/zinc/37/19/84/174371984.db2.gz DGPDNCBLMIOPFI-LBPRGKRZSA-N 1 0 286.335 2.649 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746374 174391688 /nfs/dbraw/zinc/39/16/88/174391688.db2.gz VZKKXCPBUUEDQJ-ZACCUICWSA-N 1 0 281.743 2.943 10 5 CFBERO CC(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473361 175053882 /nfs/dbraw/zinc/05/38/82/175053882.db2.gz ZQUAFQZLYNIYPF-UHFFFAOYSA-N 1 0 270.304 2.891 10 5 CFBERO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])ccn1 ZINC000043567634 175067296 /nfs/dbraw/zinc/06/72/96/175067296.db2.gz COUCYEUCIAHIFD-GFCCVEGCSA-N 1 0 278.356 2.666 10 5 CFBERO O=[N+]([O-])c1c(NC[C@H]2CCC[NH2+]C2)ccc2ncccc21 ZINC000044503322 175186554 /nfs/dbraw/zinc/18/65/54/175186554.db2.gz YZJJSZZDZMOJDN-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1c(NCC2CC[NH2+]CC2)ccc2ncccc21 ZINC000044509303 175187058 /nfs/dbraw/zinc/18/70/58/175187058.db2.gz DBQWWDIPFWSESV-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO CCOC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690519 175233267 /nfs/dbraw/zinc/23/32/67/175233267.db2.gz SQIBREFMBWXVRD-MNOVXSKESA-N 1 0 252.314 2.670 10 5 CFBERO CCCN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071332425 176125652 /nfs/dbraw/zinc/12/56/52/176125652.db2.gz NOXUHMMGJJEHBF-LLVKDONJSA-N 1 0 283.759 2.827 10 5 CFBERO C[C@@H](C[NH3+])COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075914124 176828498 /nfs/dbraw/zinc/82/84/98/176828498.db2.gz LHYHZQVRUFDQRX-ZETCQYMHSA-N 1 0 278.230 2.587 10 5 CFBERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079208943 177446320 /nfs/dbraw/zinc/44/63/20/177446320.db2.gz XIJGJSOQFWYFEF-NSHDSACASA-N 1 0 279.340 2.689 10 5 CFBERO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000328223147 270298894 /nfs/dbraw/zinc/29/88/94/270298894.db2.gz ZBQPSXDJUCWSRO-SECBINFHSA-N 1 0 269.732 2.754 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000229601881 274630868 /nfs/dbraw/zinc/63/08/68/274630868.db2.gz KZSYKYLHBFSGKF-PWSUYJOCSA-N 1 0 286.335 2.695 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000071397729 275037140 /nfs/dbraw/zinc/03/71/40/275037140.db2.gz SMHPDFPPVJKFBX-QMMMGPOBSA-N 1 0 289.257 2.778 10 5 CFBERO C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163938087 278369739 /nfs/dbraw/zinc/36/97/39/278369739.db2.gz STIQLGXHGFJAAW-UWVGGRQHSA-N 1 0 283.759 2.669 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561267206 282050989 /nfs/dbraw/zinc/05/09/89/282050989.db2.gz AKHYGKBTQHNNDL-AWEZNQCLSA-N 1 0 295.770 2.828 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228550784 295316686 /nfs/dbraw/zinc/31/66/86/295316686.db2.gz DTMLUYALAWGUPE-MVWJERBFSA-N 1 0 295.770 2.812 10 5 CFBERO CCC[NH2+]CCOCc1ccc([N+](=O)[O-])cc1Cl ZINC000051845046 519918910 /nfs/dbraw/zinc/91/89/10/519918910.db2.gz HLGYBFBLWMXAGN-UHFFFAOYSA-N 1 0 272.732 2.764 10 5 CFBERO CC(C)C[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C(C)C ZINC000051146016 519718303 /nfs/dbraw/zinc/71/83/03/519718303.db2.gz XTPYDYFUMDXBFL-UHFFFAOYSA-N 1 0 280.372 2.747 10 5 CFBERO CC(C)C[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000069236611 519748558 /nfs/dbraw/zinc/74/85/58/519748558.db2.gz JFCZNIGMKSFUFH-UHFFFAOYSA-N 1 0 274.324 2.731 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197429 519814989 /nfs/dbraw/zinc/81/49/89/519814989.db2.gz DUQNSNAPPRSLPY-OCCSQVGLSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049218721 519815030 /nfs/dbraw/zinc/81/50/30/519815030.db2.gz MPGNHQJFKBADSI-ZDUSSCGKSA-N 1 0 269.320 2.732 10 5 CFBERO CCC[NH+]1CCC(NCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000049555389 519846795 /nfs/dbraw/zinc/84/67/95/519846795.db2.gz WGDGIQFPVDLGDO-UHFFFAOYSA-N 1 0 295.358 2.698 10 5 CFBERO CCNc1ccc(C[N@H+](CC)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050814978 520299783 /nfs/dbraw/zinc/29/97/83/520299783.db2.gz ZMXPLMBRHUDOED-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000050813317 520328525 /nfs/dbraw/zinc/32/85/25/520328525.db2.gz HYNPWRQSWQHQKJ-ZDUSSCGKSA-N 1 0 295.408 2.964 10 5 CFBERO CCOc1cc(N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000311895894 520764200 /nfs/dbraw/zinc/76/42/00/520764200.db2.gz FAHXJVFRPPXWHX-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000130553784 521190478 /nfs/dbraw/zinc/19/04/78/521190478.db2.gz CJAHZBPIIOGQLE-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO CCC(CC)[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817552 521560136 /nfs/dbraw/zinc/56/01/36/521560136.db2.gz RSMPVUBVTOXRIP-UHFFFAOYSA-N 1 0 295.383 2.814 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000050815067 522646049 /nfs/dbraw/zinc/64/60/49/522646049.db2.gz ZCEQBEBDFQORNA-AWEZNQCLSA-N 1 0 293.367 2.637 10 5 CFBERO CC[C@@H]([NH2+]C1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230676229 522808052 /nfs/dbraw/zinc/80/80/52/522808052.db2.gz VXUONEFVYGMWLS-UXUKBGGZSA-N 1 0 264.325 2.813 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1OCCC[NH2+]C(C)(C)C ZINC000050505920 522984545 /nfs/dbraw/zinc/98/45/45/522984545.db2.gz QQEDBEIFMCILFZ-UHFFFAOYSA-N 1 0 282.340 2.760 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1ccccc1C[NH3+] ZINC000050505902 522986243 /nfs/dbraw/zinc/98/62/43/522986243.db2.gz OXWHSZGVXPSBCD-UHFFFAOYSA-N 1 0 274.276 2.854 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000245424143 523321808 /nfs/dbraw/zinc/32/18/08/523321808.db2.gz JXWGKXJEROCLDK-HOCLYGCPSA-N 1 0 289.379 2.653 10 5 CFBERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444049 523981568 /nfs/dbraw/zinc/98/15/68/523981568.db2.gz GKWZUNGOMJHUGA-AAEUAGOBSA-N 1 0 284.743 2.905 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000311698049 524454568 /nfs/dbraw/zinc/45/45/68/524454568.db2.gz LNMVXPJBNGRJCY-QMMMGPOBSA-N 1 0 273.283 2.802 10 5 CFBERO C[C@@H](CC[NH3+])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000311443760 524481998 /nfs/dbraw/zinc/48/19/98/524481998.db2.gz HFGOXPUNBMTNOI-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049188505 524594956 /nfs/dbraw/zinc/59/49/56/524594956.db2.gz LZKQCIQDWALMTB-VIFPVBQESA-N 1 0 284.747 2.539 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CCCC[NH3+] ZINC000310722614 524909228 /nfs/dbraw/zinc/90/92/28/524909228.db2.gz AZEJMUBQFIJCAO-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157886670 525008437 /nfs/dbraw/zinc/00/84/37/525008437.db2.gz WHACKKYSTPJQLN-MFKMUULPSA-N 1 0 297.786 2.950 10 5 CFBERO Cc1ccc(NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000061701071 525274733 /nfs/dbraw/zinc/27/47/33/525274733.db2.gz LXYLHSLTAZSMRV-UHFFFAOYSA-N 1 0 251.330 2.657 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201208 525567100 /nfs/dbraw/zinc/56/71/00/525567100.db2.gz MBJYLKBFJLDFAD-HNNXBMFYSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1ccc(-c2csc(C[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000054160928 525780908 /nfs/dbraw/zinc/78/09/08/525780908.db2.gz APWMVCJDGFXCFH-SECBINFHSA-N 1 0 277.349 2.916 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCCc2ccccc2)c1 ZINC000050516607 527257116 /nfs/dbraw/zinc/25/71/16/527257116.db2.gz IIPFPLCESZEFLB-UHFFFAOYSA-N 1 0 272.304 2.675 10 5 CFBERO [NH3+]Cc1cccc(Oc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000069331080 527261039 /nfs/dbraw/zinc/26/10/39/527261039.db2.gz DZRFXCXXUBOYMM-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO [NH3+][C@@H](CC[C@@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000069395970 527330496 /nfs/dbraw/zinc/33/04/96/527330496.db2.gz ZDTATYBMNZZEJP-ZFWWWQNUSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000050443975 527333987 /nfs/dbraw/zinc/33/39/87/527333987.db2.gz DYQOLHFDTNVYHK-GFCCVEGCSA-N 1 0 295.770 2.575 10 5 CFBERO [NH3+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444500 527407265 /nfs/dbraw/zinc/40/72/65/527407265.db2.gz KSVWFVILQCJHQU-KWQFWETISA-N 1 0 254.717 2.918 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163803 618082771 /nfs/dbraw/zinc/08/27/71/618082771.db2.gz MYPCNVALKZHVDD-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C1(CNc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000261592734 618110203 /nfs/dbraw/zinc/11/02/03/618110203.db2.gz MNVGOXSULUEXTI-UHFFFAOYSA-N 1 0 267.304 2.807 10 5 CFBERO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CCCO)ccc1Cl ZINC000052759536 618195590 /nfs/dbraw/zinc/19/55/90/618195590.db2.gz LOMKVYDQAZMAPM-LBPRGKRZSA-N 1 0 298.770 2.985 10 5 CFBERO C[C@@H]1[C@H]([NH3+])CCN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310789197 618639107 /nfs/dbraw/zinc/63/91/07/618639107.db2.gz QMVGOKDOWMWRDP-LHLIQPBNSA-N 1 0 290.150 2.828 10 5 CFBERO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000070190147 625280903 /nfs/dbraw/zinc/28/09/03/625280903.db2.gz ANKQLYYHAUPNCO-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261629265 619181404 /nfs/dbraw/zinc/18/14/04/619181404.db2.gz VRMBXKSUZWLUBQ-ONGXEEELSA-N 1 0 267.304 2.582 10 5 CFBERO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261629263 619181580 /nfs/dbraw/zinc/18/15/80/619181580.db2.gz VRMBXKSUZWLUBQ-MWLCHTKSSA-N 1 0 267.304 2.582 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CCCC[NH2+]1 ZINC000125193122 642537954 /nfs/dbraw/zinc/53/79/54/642537954.db2.gz ZRIDFCFHOWEJIR-SNVBAGLBSA-N 1 0 269.732 2.802 10 5 CFBERO CCOc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050422 646450897 /nfs/dbraw/zinc/45/08/97/646450897.db2.gz YOBJMEBKGQGBDU-VXGBXAGGSA-N 1 0 293.367 2.794 10 5 CFBERO C[N+](C)(C)CCN(Cc1ccccc1)c1ccccn1 ZINC000031283978 717119520 /nfs/dbraw/zinc/11/95/20/717119520.db2.gz UDNMSFMBZBZAOB-UHFFFAOYSA-N 1 0 270.400 2.794 10 5 CFBERO c1ccc(-c2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1 ZINC000007613137 717105406 /nfs/dbraw/zinc/10/54/06/717105406.db2.gz AZXOZOHFVQVVHQ-UHFFFAOYSA-N 1 0 279.407 3.000 10 5 CFBERO COC(=O)c1ccccc1OCC[N+](C)(C)C1CCCC1 ZINC000180715824 717157532 /nfs/dbraw/zinc/15/75/32/717157532.db2.gz WHEJKZJURRYQHG-UHFFFAOYSA-N 1 0 292.399 2.871 10 5 CFBERO CCOc1cc(NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000596030129 349778593 /nfs/dbraw/zinc/77/85/93/349778593.db2.gz KMCLXOMLESOHMS-GFCCVEGCSA-N 1 0 281.356 2.779 10 5 CFBERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000596030192 349778701 /nfs/dbraw/zinc/77/87/01/349778701.db2.gz NTEAVVNAGPVYCF-GFCCVEGCSA-N 1 0 251.330 2.689 10 5 CFBERO O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000037754867 346333204 /nfs/dbraw/zinc/33/32/04/346333204.db2.gz QLAFQYKVFQPAJB-UHFFFAOYSA-N 1 0 289.257 2.778 10 5 CFBERO CCOc1cccc(N2CC[C@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000135058264 347903691 /nfs/dbraw/zinc/90/36/91/347903691.db2.gz MNXKNFNWVCGECW-RYUDHWBXSA-N 1 0 293.367 2.557 10 5 CFBERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000304453147 348380290 /nfs/dbraw/zinc/38/02/90/348380290.db2.gz POTYSGPPRFQYGT-NSHDSACASA-N 1 0 296.392 2.504 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000320686749 348436783 /nfs/dbraw/zinc/43/67/83/348436783.db2.gz MBZNSUDLGUBBNX-SFYZADRCSA-N 1 0 257.721 2.786 10 5 CFBERO O=[N+]([O-])[C@@]12Cc3ccccc3[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000584606063 348688036 /nfs/dbraw/zinc/68/80/36/348688036.db2.gz YHOPNRSCFKLSMQ-QZTJIDSGSA-N 1 0 294.354 2.858 10 5 CFBERO CC[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000584624316 348693639 /nfs/dbraw/zinc/69/36/39/348693639.db2.gz VZRUBLFVTDSPBT-HNNXBMFYSA-N 1 0 275.352 2.517 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000089149017 179724851 /nfs/dbraw/zinc/72/48/51/179724851.db2.gz AMHQKBDLEKCTKJ-KWQFWETISA-N 1 0 269.732 2.788 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NCCC1CC[NH2+]CC1 ZINC000593233115 349232759 /nfs/dbraw/zinc/23/27/59/349232759.db2.gz JLZMNCHSMBAMOS-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000104346117 185978028 /nfs/dbraw/zinc/97/80/28/185978028.db2.gz YJQORJYPSYKQQE-LBPRGKRZSA-N 1 0 263.341 2.705 10 5 CFBERO CCOc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000600954410 350636765 /nfs/dbraw/zinc/63/67/65/350636765.db2.gz ASUFNGLTDNRZGE-JQWIXIFHSA-N 1 0 279.340 2.546 10 5 CFBERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000600954472 350636768 /nfs/dbraw/zinc/63/67/68/350636768.db2.gz DCTXUCKBRJPHEX-NXEZZACHSA-N 1 0 267.304 2.595 10 5 CFBERO CCCN(c1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000111052010 186348699 /nfs/dbraw/zinc/34/86/99/186348699.db2.gz WTJSBMMHFHHZJP-CYBMUJFWSA-N 1 0 293.367 2.572 10 5 CFBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000111304729 186393528 /nfs/dbraw/zinc/39/35/28/186393528.db2.gz KKYMACFYPJAESL-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000124122013 187123401 /nfs/dbraw/zinc/12/34/01/187123401.db2.gz RRRAHFQPEBDQSR-HZMBPMFUSA-N 1 0 297.786 2.630 10 5 CFBERO CC[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558635 189300255 /nfs/dbraw/zinc/30/02/55/189300255.db2.gz STZAZXGJIMPTMJ-BXUZGUMPSA-N 1 0 292.335 2.589 10 5 CFBERO CC[N+]1(CC)C[C@@H](C)O[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000162675 371546134 /nfs/dbraw/zinc/54/61/34/371546134.db2.gz NIMLGHCVCRUGIZ-DOMZBBRYSA-N 1 0 284.807 2.760 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000090538855 375021127 /nfs/dbraw/zinc/02/11/27/375021127.db2.gz PDAPTMXEYZOACP-NSHDSACASA-N 1 0 292.314 2.590 10 5 CFBERO O=[N+]([O-])c1ccc2sc(NCC3CC[NH2+]CC3)nc2c1 ZINC000095092064 375412531 /nfs/dbraw/zinc/41/25/31/375412531.db2.gz ARUBAJIERVINSQ-UHFFFAOYSA-N 1 0 292.364 2.616 10 5 CFBERO CCOc1cccc(NCC([NH3+])(CC)CC)c1[N+](=O)[O-] ZINC000135058964 378079404 /nfs/dbraw/zinc/07/94/04/378079404.db2.gz DAUJVYZPQRAIBX-UHFFFAOYSA-N 1 0 281.356 2.923 10 5 CFBERO Cc1cccc(N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000336788407 380633940 /nfs/dbraw/zinc/63/39/40/380633940.db2.gz GYDIXSOTMZEKTH-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO C[C@@H]1CCC[N@H+](CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825098 382329379 /nfs/dbraw/zinc/32/93/79/382329379.db2.gz YEJKFXATKOAOQS-LLVKDONJSA-N 1 0 281.331 2.878 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1NC1CC[NH+](C2CC2)CC1 ZINC000302850507 382334170 /nfs/dbraw/zinc/33/41/70/382334170.db2.gz IPXVBNOAYSTGNU-UHFFFAOYSA-N 1 0 279.315 2.773 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000310435795 382495176 /nfs/dbraw/zinc/49/51/76/382495176.db2.gz OHRWOUURTTXFDV-MRVPVSSYSA-N 1 0 257.721 2.788 10 5 CFBERO C[NH2+][C@H](C)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310900541 382498935 /nfs/dbraw/zinc/49/89/35/382498935.db2.gz BPHMIVRSTDCRTJ-SSDOTTSWSA-N 1 0 259.256 2.552 10 5 CFBERO CCOc1cc(N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320737847 382538864 /nfs/dbraw/zinc/53/88/64/382538864.db2.gz UJMRFKJDRFFRPY-VHSXEESVSA-N 1 0 267.329 2.531 10 5 CFBERO [NH3+][C@@H]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000382486126 382531498 /nfs/dbraw/zinc/53/14/98/382531498.db2.gz ZNMDNGCURHNBNZ-SFYZADRCSA-N 1 0 271.267 2.555 10 5 CFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000193486171 382720206 /nfs/dbraw/zinc/72/02/06/382720206.db2.gz HOCFASLAZVZVQC-CYBMUJFWSA-N 1 0 292.383 2.709 10 5 CFBERO C[C@@H]1C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246926406 383122902 /nfs/dbraw/zinc/12/29/02/383122902.db2.gz GSVMQNLBPQABEQ-DDTOSNHZSA-N 1 0 260.337 2.914 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000261755287 383554432 /nfs/dbraw/zinc/55/44/32/383554432.db2.gz UFWLPPDUNZQCCK-INIZCTEOSA-N 1 0 283.331 2.894 10 5 CFBERO Cc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262454552 383621972 /nfs/dbraw/zinc/62/19/72/383621972.db2.gz IBHNSLZDNIBEBN-AWEZNQCLSA-N 1 0 298.346 2.597 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052762665 285088829 /nfs/dbraw/zinc/08/88/29/285088829.db2.gz KTWQQGDIOMDXPE-CYBMUJFWSA-N 1 0 298.770 2.985 10 5 CFBERO C[C@H]1CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282172199 385236179 /nfs/dbraw/zinc/23/61/79/385236179.db2.gz JJCVCZJCWGRIOX-UWVGGRQHSA-N 1 0 284.381 2.950 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000081775820 177858410 /nfs/dbraw/zinc/85/84/10/177858410.db2.gz QXOXIUCLHHXTON-RYUDHWBXSA-N 1 0 252.339 2.957 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000245429784 393804668 /nfs/dbraw/zinc/80/46/68/393804668.db2.gz NHPCKUGXXSKHAB-CABCVRRESA-N 1 0 289.379 2.653 10 5 CFBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420216369 394097018 /nfs/dbraw/zinc/09/70/18/394097018.db2.gz MJXFRILOISFUOG-SSDOTTSWSA-N 1 0 277.246 2.620 10 5 CFBERO CCC[NH2+]CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420222490 394097952 /nfs/dbraw/zinc/09/79/52/394097952.db2.gz XGEAWVMMQPMRCH-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(C)ccc1[N+](=O)[O-] ZINC000126686876 394034309 /nfs/dbraw/zinc/03/43/09/394034309.db2.gz CMPZYEIVEMITOP-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO CC1=C[C@H](C)C(=O)N(CC[N+]2(C)CCCC2)C(C)=C1 ZINC000006037284 170170225 /nfs/dbraw/zinc/17/02/25/170170225.db2.gz NUYLOBSGRITFFY-AWEZNQCLSA-N 1 0 263.405 2.555 10 5 CFBERO C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029373 174019464 /nfs/dbraw/zinc/01/94/64/174019464.db2.gz BPWDRBCRGSKOFK-GFCCVEGCSA-N 1 0 263.341 2.881 10 5 CFBERO [NH3+][C@@H](Cc1ccccc1F)c1ccc([N+](=O)[O-])o1 ZINC000038130037 174131340 /nfs/dbraw/zinc/13/13/40/174131340.db2.gz BNGTYPOVIFTQHD-JTQLQIEISA-N 1 0 250.229 2.569 10 5 CFBERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040591666 174346954 /nfs/dbraw/zinc/34/69/54/174346954.db2.gz YEUPMNSRZBKCTC-UONOGXRCSA-N 1 0 291.395 2.896 10 5 CFBERO Cc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)oc1C ZINC000040676042 174373862 /nfs/dbraw/zinc/37/38/62/174373862.db2.gz HFWGERIVCBNPMO-UHFFFAOYSA-N 1 0 275.308 2.532 10 5 CFBERO CCN(c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748755 174393942 /nfs/dbraw/zinc/39/39/42/174393942.db2.gz ONSWPXFUSZTDMK-FUNVUKJBSA-N 1 0 293.342 2.843 10 5 CFBERO Cc1cccc(-c2nc([C@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000041123502 174488327 /nfs/dbraw/zinc/48/83/27/174488327.db2.gz ALXSSARHXNDHAY-SNVBAGLBSA-N 1 0 276.296 2.609 10 5 CFBERO Cc1cccc(OCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000042407292 174713196 /nfs/dbraw/zinc/71/31/96/174713196.db2.gz BZZGOSGSZYVJFD-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1F ZINC000043458668 175050484 /nfs/dbraw/zinc/05/04/84/175050484.db2.gz DNBKYTGGZFPQGA-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO CC(C)[NH2+]CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473356 175053879 /nfs/dbraw/zinc/05/38/79/175053879.db2.gz SEYNHRMUIOUFMI-UHFFFAOYSA-N 1 0 256.277 2.501 10 5 CFBERO C[C@@H]1CCC[C@](CNc2cc([N+](=O)[O-])ccn2)([NH+](C)C)C1 ZINC000043567990 175067271 /nfs/dbraw/zinc/06/72/71/175067271.db2.gz WKVPELPBYFNBFD-DOMZBBRYSA-N 1 0 292.383 2.912 10 5 CFBERO CC[NH+](CC)CCC[C@@H](C)Nc1cc([N+](=O)[O-])ccn1 ZINC000043567637 175067320 /nfs/dbraw/zinc/06/73/20/175067320.db2.gz KDGZRXFITREUNP-GFCCVEGCSA-N 1 0 280.372 2.912 10 5 CFBERO CCC[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000043571364 175069001 /nfs/dbraw/zinc/06/90/01/175069001.db2.gz WTMPKQZNZWMFCB-SNVBAGLBSA-N 1 0 280.259 2.584 10 5 CFBERO CN1CCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000044561433 175205094 /nfs/dbraw/zinc/20/50/94/175205094.db2.gz LIKFCCFFVOREQC-CYBMUJFWSA-N 1 0 297.786 2.822 10 5 CFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071189067 176064929 /nfs/dbraw/zinc/06/49/29/176064929.db2.gz SGPFVLCCEWKICQ-LLVKDONJSA-N 1 0 297.786 2.632 10 5 CFBERO CCCN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332591 176125577 /nfs/dbraw/zinc/12/55/77/176125577.db2.gz ANPFHVGVSKCNPT-NSHDSACASA-N 1 0 283.759 2.827 10 5 CFBERO COc1ccc(C[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000071424652 176161205 /nfs/dbraw/zinc/16/12/05/176161205.db2.gz PNUQKWDDPTVQFZ-NSHDSACASA-N 1 0 252.314 2.519 10 5 CFBERO CC[C@H](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000079208947 177446442 /nfs/dbraw/zinc/44/64/42/177446442.db2.gz GEGMGUZNXIPUGZ-LBPRGKRZSA-N 1 0 293.367 2.997 10 5 CFBERO C[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178367 287360851 /nfs/dbraw/zinc/36/08/51/287360851.db2.gz JKCAWYREFHPLGO-NOZJJQNGSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccnc(NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262492261 274818035 /nfs/dbraw/zinc/81/80/35/274818035.db2.gz LCUUUJACPVVZPZ-CQSZACIVSA-N 1 0 298.346 2.597 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095077347 274955779 /nfs/dbraw/zinc/95/57/79/274955779.db2.gz ADGKWQYGVAXZIB-ZJUUUORDSA-N 1 0 292.364 2.886 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(SC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092139 275039228 /nfs/dbraw/zinc/03/92/28/275039228.db2.gz NHKWDEKVQHEUOC-VIFPVBQESA-N 1 0 292.364 2.705 10 5 CFBERO CCOc1cccc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135054095 276380772 /nfs/dbraw/zinc/38/07/72/276380772.db2.gz DAFMVVLKVSBSJO-VXGBXAGGSA-N 1 0 293.367 2.557 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918667 276641302 /nfs/dbraw/zinc/64/13/02/276641302.db2.gz QGCUYCGAJHSMGH-SWHYSGLUSA-N 1 0 264.325 2.813 10 5 CFBERO C[C@@H]([NH3+])C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000235144166 278305114 /nfs/dbraw/zinc/30/51/14/278305114.db2.gz GWTVHFXSLGRDGD-SECBINFHSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261574903 278389514 /nfs/dbraw/zinc/38/95/14/278389514.db2.gz BHVXWFSVZHGNCC-ZJUUUORDSA-N 1 0 267.304 2.534 10 5 CFBERO CC[C@@H](C)[N@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813080 522084431 /nfs/dbraw/zinc/08/44/31/522084431.db2.gz RVKKEHRTAFEDEA-SNVBAGLBSA-N 1 0 251.330 2.797 10 5 CFBERO CC(C)(C)[NH2+]CCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000050620548 518758703 /nfs/dbraw/zinc/75/87/03/518758703.db2.gz KMHRAXDEPCXGSK-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000232612742 519347448 /nfs/dbraw/zinc/34/74/48/519347448.db2.gz WTNWZVZURWDGQX-MRVPVSSYSA-N 1 0 273.283 2.658 10 5 CFBERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067224169 519363116 /nfs/dbraw/zinc/36/31/16/519363116.db2.gz HHOTUIFVBWOTRZ-LLVKDONJSA-N 1 0 286.759 2.745 10 5 CFBERO CC(C)C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000069236578 519748337 /nfs/dbraw/zinc/74/83/37/519748337.db2.gz IHUREKQDNYECNK-UHFFFAOYSA-N 1 0 274.324 2.731 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049218706 519814949 /nfs/dbraw/zinc/81/49/49/519814949.db2.gz MRZXGWBOWCHLSJ-LBPRGKRZSA-N 1 0 269.320 2.732 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517121 519952109 /nfs/dbraw/zinc/95/21/09/519952109.db2.gz LZRRCXWUVGNPOW-UHFFFAOYSA-N 1 0 260.240 2.696 10 5 CFBERO CCC[NH2+][C@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000050619122 520067426 /nfs/dbraw/zinc/06/74/26/520067426.db2.gz ZWBPZAPSRCEOFX-SECBINFHSA-N 1 0 276.296 2.705 10 5 CFBERO CC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048770242 520119417 /nfs/dbraw/zinc/11/94/17/520119417.db2.gz BRLKAKQHVZTFAS-QWHCGFSZSA-N 1 0 278.352 2.924 10 5 CFBERO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC ZINC000050812796 520170911 /nfs/dbraw/zinc/17/09/11/520170911.db2.gz GGSKUTLTDHAKCZ-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050817964 520274394 /nfs/dbraw/zinc/27/43/94/520274394.db2.gz OAFUMZJOBTYYHE-CQSZACIVSA-N 1 0 293.367 2.568 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)C(C)C ZINC000050818073 520330248 /nfs/dbraw/zinc/33/02/48/520330248.db2.gz HNKGNMITYBHQJB-UHFFFAOYSA-N 1 0 295.383 2.619 10 5 CFBERO CC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000061822118 520380833 /nfs/dbraw/zinc/38/08/33/520380833.db2.gz SALZPRZWLCONMQ-UHFFFAOYSA-N 1 0 263.341 2.799 10 5 CFBERO CCOc1cc(N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156785653 520748471 /nfs/dbraw/zinc/74/84/71/520748471.db2.gz SEWGJRDZSHSSBZ-ZDUSSCGKSA-N 1 0 295.383 2.803 10 5 CFBERO CCOc1cc(N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070171197 520750735 /nfs/dbraw/zinc/75/07/35/520750735.db2.gz QPLYXLCNOXRGOV-LBPRGKRZSA-N 1 0 293.367 2.559 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCc2ccsc2)c1 ZINC000050516700 522125699 /nfs/dbraw/zinc/12/56/99/522125699.db2.gz KQLXFLGGVZARPH-UHFFFAOYSA-N 1 0 278.333 2.955 10 5 CFBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)CC(C)(C)C ZINC000050817020 523186356 /nfs/dbraw/zinc/18/63/56/523186356.db2.gz RUUGMBULYNUUMX-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000050792748 523262237 /nfs/dbraw/zinc/26/22/37/523262237.db2.gz LHUPNPAFMBBNAW-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO C[N@H+](Cc1ccsc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813526 523483603 /nfs/dbraw/zinc/48/36/03/523483603.db2.gz FSSJUSYFGGSXMS-UHFFFAOYSA-N 1 0 277.349 2.871 10 5 CFBERO CC[C@H](C)[N@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813055 523922290 /nfs/dbraw/zinc/92/22/90/523922290.db2.gz TWSZVEVJNWDEPR-JTQLQIEISA-N 1 0 251.330 2.867 10 5 CFBERO C[NH+](C)CCCCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053164687 524053059 /nfs/dbraw/zinc/05/30/59/524053059.db2.gz VYQZUVWMJGYHSV-UHFFFAOYSA-N 1 0 273.283 2.627 10 5 CFBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000311733988 524172069 /nfs/dbraw/zinc/17/20/69/524172069.db2.gz RNRBVJJOZPSGDR-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336790171 524456432 /nfs/dbraw/zinc/45/64/32/524456432.db2.gz KVNIDXKUOAGCJE-QMMMGPOBSA-N 1 0 272.736 2.573 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000312513862 524457719 /nfs/dbraw/zinc/45/77/19/524457719.db2.gz NNEPNHWPGWTNPF-QMMMGPOBSA-N 1 0 295.368 2.529 10 5 CFBERO C[C@H]1C[C@H](C)C[NH+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791967 524885879 /nfs/dbraw/zinc/88/58/79/524885879.db2.gz WHVXUCPRDYKHFK-QWRGUYRKSA-N 1 0 263.341 2.655 10 5 CFBERO Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000133610641 525025884 /nfs/dbraw/zinc/02/58/84/525025884.db2.gz VYCRXLRFUSCEOA-CYBMUJFWSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000050951652 525123223 /nfs/dbraw/zinc/12/32/23/525123223.db2.gz ZVKBNGFWMRVTCH-UHFFFAOYSA-N 1 0 291.351 2.622 10 5 CFBERO Cc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701295 525316538 /nfs/dbraw/zinc/31/65/38/525316538.db2.gz USWGCGCCLKQLIK-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1ccc(N[C@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049219079 525318527 /nfs/dbraw/zinc/31/85/27/525318527.db2.gz FZISZDPFMBEFOO-CYBMUJFWSA-N 1 0 265.357 2.901 10 5 CFBERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791963 525385472 /nfs/dbraw/zinc/38/54/72/525385472.db2.gz GGBCARRYMKNRCF-PHIMTYICSA-N 1 0 263.341 2.655 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C[NH+](C)C)C(C)C ZINC000049219060 525570113 /nfs/dbraw/zinc/57/01/13/525570113.db2.gz XFJYXMROTBLOOP-AWEZNQCLSA-N 1 0 265.357 2.901 10 5 CFBERO [NH3+]CCC[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000312704975 527183103 /nfs/dbraw/zinc/18/31/03/527183103.db2.gz POVQECQAIQAPTP-NSHDSACASA-N 1 0 292.364 2.943 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190673 527320631 /nfs/dbraw/zinc/32/06/31/527320631.db2.gz YGRLQCJKDIOSSE-STQMWFEESA-N 1 0 293.342 2.845 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]C2CC2)cc1OCC(F)(F)F ZINC000050517282 527351276 /nfs/dbraw/zinc/35/12/76/527351276.db2.gz WTTBBFYHPJSCNJ-UHFFFAOYSA-N 1 0 290.241 2.788 10 5 CFBERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444503 527403909 /nfs/dbraw/zinc/40/39/09/527403909.db2.gz KSVWFVILQCJHQU-KCJUWKMLSA-N 1 0 254.717 2.918 10 5 CFBERO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000051693872 618048993 /nfs/dbraw/zinc/04/89/93/618048993.db2.gz YYPDGFDSZJLAQL-UHFFFAOYSA-N 1 0 286.335 2.825 10 5 CFBERO CC(C)([NH3+])CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000310324545 618283011 /nfs/dbraw/zinc/28/30/11/618283011.db2.gz WPKZOZPFTXADBI-UHFFFAOYSA-N 1 0 257.721 2.788 10 5 CFBERO [NH3+]C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000236184563 618608946 /nfs/dbraw/zinc/60/89/46/618608946.db2.gz OPZLGWBSRSTOMS-SNVBAGLBSA-N 1 0 284.747 2.573 10 5 CFBERO CCOc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108450 620019440 /nfs/dbraw/zinc/01/94/40/620019440.db2.gz LCQJMFRDVAPVTB-YPMHNXCESA-N 1 0 293.367 2.923 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092324 650827717 /nfs/dbraw/zinc/82/77/17/650827717.db2.gz FDWJLDSEBGNGMR-WCBMZHEXSA-N 1 0 269.732 2.788 10 5 CFBERO CCCC[N+](C)(C)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004212269 717097886 /nfs/dbraw/zinc/09/78/86/717097886.db2.gz BUYOFVAIOJEFNJ-UHFFFAOYSA-N 1 0 288.415 2.851 10 5 in-man CFBERO CCN(CC)C(=O)Oc1cccc([N+](C)(C)C)c1 ZINC000005649638 717100302 /nfs/dbraw/zinc/10/03/02/717100302.db2.gz DHCJQWMQQSXBSK-UHFFFAOYSA-N 1 0 251.350 2.724 10 5 CFBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000596032891 349779031 /nfs/dbraw/zinc/77/90/31/349779031.db2.gz PSPCVCHDUAMIMM-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO C[NH+](C)[C@@]1(C)CC=C(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000725256696 539591878 /nfs/dbraw/zinc/59/18/78/539591878.db2.gz GJCCWNGHONGLTJ-AWEZNQCLSA-N 1 0 261.325 2.877 10 5 CFBERO CO[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431000 347942967 /nfs/dbraw/zinc/94/29/67/347942967.db2.gz XSSJNERTFYGTSL-FZMZJTMJSA-N 1 0 264.325 2.594 10 5 CFBERO C[C@]1([NH3+])CC=C(c2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000725271801 539628669 /nfs/dbraw/zinc/62/86/69/539628669.db2.gz CNZNFSBJJPHVRV-AWEZNQCLSA-N 1 0 260.293 2.692 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320731882 348436950 /nfs/dbraw/zinc/43/69/50/348436950.db2.gz SXDMRXYLTKDXMS-SFYZADRCSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000321000594 348437452 /nfs/dbraw/zinc/43/74/52/348437452.db2.gz ZNMKPFXBJJVDHI-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO Cc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C[NH2+]C(C)C)CC2 ZINC000584629998 348695180 /nfs/dbraw/zinc/69/51/80/348695180.db2.gz FNWSBRQWCFSCRO-GFCCVEGCSA-N 1 0 263.341 2.628 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1NCCC1CC[NH2+]CC1 ZINC000593232915 349232495 /nfs/dbraw/zinc/23/24/95/349232495.db2.gz HDSTUOSIPBSBKU-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO COc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000600962185 350637665 /nfs/dbraw/zinc/63/76/65/350637665.db2.gz APMISVANZJKJIS-XYPYZODXSA-N 1 0 279.340 2.533 10 5 CFBERO CCOc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000600954411 350636688 /nfs/dbraw/zinc/63/66/88/350636688.db2.gz ASUFNGLTDNRZGE-PWSUYJOCSA-N 1 0 279.340 2.546 10 5 CFBERO C[C@@H]1C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120416008 186898761 /nfs/dbraw/zinc/89/87/61/186898761.db2.gz GSVMQNLBPQABEQ-HONMWMINSA-N 1 0 260.337 2.914 10 5 CFBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000124121785 187123223 /nfs/dbraw/zinc/12/32/23/187123223.db2.gz RRRAHFQPEBDQSR-YGRLFVJLSA-N 1 0 297.786 2.630 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000123392046 187088848 /nfs/dbraw/zinc/08/88/48/187088848.db2.gz ZNDPKORJEICMPO-HNNXBMFYSA-N 1 0 291.395 2.819 10 5 CFBERO CCC([NH3+])(CC)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000135058988 187792252 /nfs/dbraw/zinc/79/22/52/187792252.db2.gz UOERSDXIXHDBFU-UHFFFAOYSA-N 1 0 267.329 2.533 10 5 CFBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000181409067 189295810 /nfs/dbraw/zinc/29/58/10/189295810.db2.gz VIPWNLISILEWSI-JTQLQIEISA-N 1 0 294.742 2.796 10 5 CFBERO CCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036959630 372616789 /nfs/dbraw/zinc/61/67/89/372616789.db2.gz UBYFSHQXXQFFHK-FZMZJTMJSA-N 1 0 293.367 2.550 10 5 CFBERO CCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036959631 372617279 /nfs/dbraw/zinc/61/72/79/372617279.db2.gz UBYFSHQXXQFFHK-BXUZGUMPSA-N 1 0 293.367 2.550 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000083748600 374753999 /nfs/dbraw/zinc/75/39/99/374753999.db2.gz SENDFOFZFVGNMS-CYBMUJFWSA-N 1 0 295.770 2.528 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000090537744 375020064 /nfs/dbraw/zinc/02/00/64/375020064.db2.gz SFWFKAKYAOUKEH-ZDUSSCGKSA-N 1 0 288.351 2.759 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SCC3CC[NH2+]CC3)nc2c1 ZINC000095092203 375412579 /nfs/dbraw/zinc/41/25/79/375412579.db2.gz HHKJDYDMMCMQKV-UHFFFAOYSA-N 1 0 293.348 2.828 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(SCC3CC[NH2+]CC3)nc2c1 ZINC000095092147 375413592 /nfs/dbraw/zinc/41/35/92/375413592.db2.gz RUTKSPDHRAQMHA-UHFFFAOYSA-N 1 0 292.364 2.563 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c2ccncc21 ZINC000110798692 375832091 /nfs/dbraw/zinc/83/20/91/375832091.db2.gz SPDVUXONMUMCKJ-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO COc1cc(NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000129286511 377406799 /nfs/dbraw/zinc/40/67/99/377406799.db2.gz RJKGSEBEDUQXIU-AWEZNQCLSA-N 1 0 297.330 2.544 10 5 CFBERO CCOc1cc(N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000336831948 382726471 /nfs/dbraw/zinc/72/64/71/382726471.db2.gz KTKHQAMUPKSTTL-LLVKDONJSA-N 1 0 281.356 2.923 10 5 CFBERO [NH3+][C@H](CCF)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000575438390 382770945 /nfs/dbraw/zinc/77/09/45/382770945.db2.gz IREFRCTVMXJWEJ-MRVPVSSYSA-N 1 0 277.093 2.717 10 5 CFBERO Cc1cnn(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000227981796 382842825 /nfs/dbraw/zinc/84/28/25/382842825.db2.gz UWTNMBGDQAUWQH-UHFFFAOYSA-N 1 0 294.742 2.543 10 5 CFBERO [NH3+]C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000261657096 383538693 /nfs/dbraw/zinc/53/86/93/383538693.db2.gz KERRNTKVYUYNMR-UHFFFAOYSA-N 1 0 289.339 2.545 10 5 CFBERO O=[N+]([O-])c1ccc2sc(NC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092060 184940923 /nfs/dbraw/zinc/94/09/23/184940923.db2.gz LYLNFGSVXBFXJZ-SECBINFHSA-N 1 0 292.364 2.616 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000175043373 394380344 /nfs/dbraw/zinc/38/03/44/394380344.db2.gz YGAPWJKXRAOSPT-GDBMZVCRSA-N 1 0 289.379 2.653 10 5 CFBERO CC(CO)(CO)[NH2+]Cc1cccc2cc3ccccc3cc21 ZINC000005761723 170137777 /nfs/dbraw/zinc/13/77/77/170137777.db2.gz KUPZBMGVLLMQLO-UHFFFAOYSA-N 1 0 295.382 2.826 10 5 CFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000035414807 172188985 /nfs/dbraw/zinc/18/89/85/172188985.db2.gz KKMYOYUDRGDPMB-UHFFFAOYSA-N 1 0 250.298 2.634 10 5 CFBERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037166547 173000891 /nfs/dbraw/zinc/00/08/91/173000891.db2.gz XNANIHABCGXUGD-CQSZACIVSA-N 1 0 279.384 2.661 10 5 CFBERO CC[C@@H](C)[N@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336466 173137536 /nfs/dbraw/zinc/13/75/36/173137536.db2.gz AMQZDGXEURZFQO-LLVKDONJSA-N 1 0 264.325 2.898 10 5 CFBERO CC[C@H](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)[NH2+]C ZINC000038004597 173966440 /nfs/dbraw/zinc/96/64/40/173966440.db2.gz JCFQLINOVHWZDM-NXEZZACHSA-N 1 0 254.305 2.911 10 5 CFBERO COc1ccc(NC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029324 174019234 /nfs/dbraw/zinc/01/92/34/174019234.db2.gz IDZAOYJRQKVEMJ-LBPRGKRZSA-N 1 0 293.367 2.890 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000038051128 174062569 /nfs/dbraw/zinc/06/25/69/174062569.db2.gz BEFNXIWSUNLERU-YPMHNXCESA-N 1 0 286.335 2.825 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000038051125 174062937 /nfs/dbraw/zinc/06/29/37/174062937.db2.gz BEFNXIWSUNLERU-WCQYABFASA-N 1 0 286.335 2.825 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000038080569 174089769 /nfs/dbraw/zinc/08/97/69/174089769.db2.gz QDXVLILQRWZWJV-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082060 174091083 /nfs/dbraw/zinc/09/10/83/174091083.db2.gz OZSMBYRGHGEPRA-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503199 174300016 /nfs/dbraw/zinc/30/00/16/174300016.db2.gz YFXUAVVNUMHANV-JTQLQIEISA-N 1 0 267.304 2.630 10 5 CFBERO Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccccc2[N+](=O)[O-])n1 ZINC000040515275 174306641 /nfs/dbraw/zinc/30/66/41/174306641.db2.gz QLZOVZLERWGIRW-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673560 174372444 /nfs/dbraw/zinc/37/24/44/174372444.db2.gz BXEDDOVPPVJNFU-SNVBAGLBSA-N 1 0 269.732 2.754 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747324 174392697 /nfs/dbraw/zinc/39/26/97/174392697.db2.gz IIZNVXJXCYNFEZ-ONXXMXGDSA-N 1 0 275.352 2.622 10 5 CFBERO CCCN(Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748566 174393874 /nfs/dbraw/zinc/39/38/74/174393874.db2.gz BFZCQKFHSXZSAM-FUNVUKJBSA-N 1 0 293.367 2.683 10 5 CFBERO CCN(c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748708 174394130 /nfs/dbraw/zinc/39/41/30/174394130.db2.gz AMZFGURCMDLFAE-ODOQXGPZSA-N 1 0 275.352 2.704 10 5 CFBERO Cc1cccc(OCC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000043499262 175058063 /nfs/dbraw/zinc/05/80/63/175058063.db2.gz LFOMTBHRSUUGDR-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c2ncccc12 ZINC000044493482 175181347 /nfs/dbraw/zinc/18/13/47/175181347.db2.gz WUVOITASNTYJFT-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493516 175181426 /nfs/dbraw/zinc/18/14/26/175181426.db2.gz NDMLKVSUCADJGX-SECBINFHSA-N 1 0 292.364 2.759 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)o1 ZINC000044675411 175227175 /nfs/dbraw/zinc/22/71/75/175227175.db2.gz CVICXRZDJUAEHZ-OLZOCXBDSA-N 1 0 258.277 2.834 10 5 CFBERO CCOC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690523 175233470 /nfs/dbraw/zinc/23/34/70/175233470.db2.gz SQIBREFMBWXVRD-GHMZBOCLSA-N 1 0 252.314 2.670 10 5 CFBERO [NH3+]C1(c2nc(-c3ccccc3[N+](=O)[O-])no2)CCCCC1 ZINC000044732030 175240926 /nfs/dbraw/zinc/24/09/26/175240926.db2.gz UBUDYAQVAHPMHQ-UHFFFAOYSA-N 1 0 288.307 2.763 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CNCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000045134932 175312863 /nfs/dbraw/zinc/31/28/63/175312863.db2.gz IMICPBIDJMGGDV-GFCCVEGCSA-N 1 0 295.358 2.554 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163802 175510700 /nfs/dbraw/zinc/51/07/00/175510700.db2.gz MYPCNVALKZHVDD-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000070447794 175939651 /nfs/dbraw/zinc/93/96/51/175939651.db2.gz WUKUQHMADSFLRD-GFCCVEGCSA-N 1 0 274.324 2.538 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482912 265369026 /nfs/dbraw/zinc/36/90/26/265369026.db2.gz FDOSLJYTJPZARW-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO CC[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198488 270299242 /nfs/dbraw/zinc/29/92/42/270299242.db2.gz RHDGURUNKHXGKC-SNVBAGLBSA-N 1 0 269.732 2.754 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229609930 274420092 /nfs/dbraw/zinc/42/00/92/274420092.db2.gz NNMDJLJJKVLBNB-WCBMZHEXSA-N 1 0 269.732 2.801 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235626576 280049108 /nfs/dbraw/zinc/04/91/08/280049108.db2.gz PYBMCSQZLAZTNG-PSASIEDQSA-N 1 0 269.732 2.801 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130595562 280705927 /nfs/dbraw/zinc/70/59/27/280705927.db2.gz XTDJYOKCJIPJQK-NSHDSACASA-N 1 0 274.324 2.538 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000094663397 281014695 /nfs/dbraw/zinc/01/46/95/281014695.db2.gz PCRUCQBKBAKYHL-NWDGAFQWSA-N 1 0 263.341 2.833 10 5 CFBERO Cc1cccc(N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000235996132 281225340 /nfs/dbraw/zinc/22/53/40/281225340.db2.gz JFZKPELXTRQCRW-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049197529 519793993 /nfs/dbraw/zinc/79/39/93/519793993.db2.gz GMDCAKMYGJFAQU-IUODEOHRSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049197625 519793787 /nfs/dbraw/zinc/79/37/87/519793787.db2.gz QPUUENQIFOCTDG-CQSZACIVSA-N 1 0 299.802 2.924 10 5 CFBERO CC(C)[NH2+]CCOc1ccc2ncccc2c1[N+](=O)[O-] ZINC000051871872 519721657 /nfs/dbraw/zinc/72/16/57/519721657.db2.gz VNJUHNZGGZIZOB-UHFFFAOYSA-N 1 0 275.308 2.520 10 5 CFBERO CC(C)[NH2+]Cc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000051005571 519728963 /nfs/dbraw/zinc/72/89/63/519728963.db2.gz YWQBHRHOQYQOFR-UHFFFAOYSA-N 1 0 288.351 2.532 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000050618735 520079096 /nfs/dbraw/zinc/07/90/96/520079096.db2.gz UAPAUSCCTLHVTB-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CCCNc1ccc(C[N@H+](C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815222 520154866 /nfs/dbraw/zinc/15/48/66/520154866.db2.gz TYPNBVDKOZZYMZ-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC000050618986 520181356 /nfs/dbraw/zinc/18/13/56/520181356.db2.gz WZRSXWQHMOAEMP-ZCFIWIBFSA-N 1 0 298.249 2.594 10 5 CFBERO CCC[C@@](C)([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439896 520919188 /nfs/dbraw/zinc/91/91/88/520919188.db2.gz OHWHOWOWFLVOPJ-CQSZACIVSA-N 1 0 279.340 2.668 10 5 CFBERO CCC[C@@](C)([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441206 520920566 /nfs/dbraw/zinc/92/05/66/520920566.db2.gz KKRYOAPEAIPJAK-CQSZACIVSA-N 1 0 290.323 2.927 10 5 CFBERO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)CC1CC1 ZINC000069239707 521291441 /nfs/dbraw/zinc/29/14/41/521291441.db2.gz YZLUHKWCPXGUJO-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO CC[N@@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815165 521323526 /nfs/dbraw/zinc/32/35/26/521323526.db2.gz NOHVTDPAGZJMPO-ZDUSSCGKSA-N 1 0 293.367 2.637 10 5 CFBERO CCC[NH+](CCC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792694 521648884 /nfs/dbraw/zinc/64/88/84/521648884.db2.gz NZJGAPHTLTVIJS-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO COc1cc(N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000311689313 522763728 /nfs/dbraw/zinc/76/37/28/522763728.db2.gz KDULPMYBCQHAQM-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO COc1ccc(N[C@H]2CCCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000063214692 524711463 /nfs/dbraw/zinc/71/14/63/524711463.db2.gz CCAIVWUTKUUHBX-NEPJUHHUSA-N 1 0 279.340 2.675 10 5 CFBERO Cc1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000061701304 524958955 /nfs/dbraw/zinc/95/89/55/524958955.db2.gz YDQPHAHHZBNTGF-KBPBESRZSA-N 1 0 275.352 2.624 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157893415 525022834 /nfs/dbraw/zinc/02/28/34/525022834.db2.gz CPVXNXWJVWLGFP-PWSUYJOCSA-N 1 0 297.786 2.807 10 5 CFBERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791965 525210621 /nfs/dbraw/zinc/21/06/21/525210621.db2.gz GGBCARRYMKNRCF-GHMZBOCLSA-N 1 0 263.341 2.655 10 5 CFBERO Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ncc1[N+](=O)[O-] ZINC000262522300 525277855 /nfs/dbraw/zinc/27/78/55/525277855.db2.gz OFYZXWQRMZXXBM-CQSZACIVSA-N 1 0 298.346 2.597 10 5 CFBERO CSC[C@@H](C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000069447841 525622323 /nfs/dbraw/zinc/62/23/23/525622323.db2.gz WFKGEDHPZMKFBB-NSHDSACASA-N 1 0 284.381 2.562 10 5 CFBERO Cc1c(NC(=O)CC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000050944586 525832910 /nfs/dbraw/zinc/83/29/10/525832910.db2.gz HCJXCVCBAYZFJT-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1nc(CC[NH3+])cs1 ZINC000061798264 526066330 /nfs/dbraw/zinc/06/63/30/526066330.db2.gz KGXDPTARUMJXQX-UHFFFAOYSA-N 1 0 263.322 2.528 10 5 CFBERO COc1cccc(N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000311670787 526211381 /nfs/dbraw/zinc/21/13/81/526211381.db2.gz HHHWXNKWNRBOTK-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO [NH3+]C1(CNc2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000261576115 527132740 /nfs/dbraw/zinc/13/27/40/527132740.db2.gz BVSYDMBIEIRLNL-UHFFFAOYSA-N 1 0 267.304 2.807 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2cccc(F)c2)c1 ZINC000050516526 527258019 /nfs/dbraw/zinc/25/80/19/527258019.db2.gz SAGCMSFSVAOBSY-UHFFFAOYSA-N 1 0 276.267 2.772 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1OCC[C@H]1CCC[NH2+]C1 ZINC000051918391 527321466 /nfs/dbraw/zinc/32/14/66/527321466.db2.gz BVPDYTTYEOZAKT-SNVBAGLBSA-N 1 0 268.288 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(OC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000051865383 527371884 /nfs/dbraw/zinc/37/18/84/527371884.db2.gz GTMIBJRHBDNWLF-UHFFFAOYSA-N 1 0 290.241 2.744 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]2)c2ncccc12 ZINC000051883413 527372324 /nfs/dbraw/zinc/37/23/24/527372324.db2.gz GAUUBIJFMJKHJQ-NSHDSACASA-N 1 0 287.319 2.664 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000051883114 527373242 /nfs/dbraw/zinc/37/32/42/527373242.db2.gz URZVMZXBQHGDRS-NSHDSACASA-N 1 0 287.319 2.521 10 5 CFBERO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163715 618057135 /nfs/dbraw/zinc/05/71/35/618057135.db2.gz FTUPDVGNWHZHEV-UWVGGRQHSA-N 1 0 267.304 2.534 10 5 CFBERO [NH3+]C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000261662309 618098482 /nfs/dbraw/zinc/09/84/82/618098482.db2.gz FBMOXQFNIVPVCA-UHFFFAOYSA-N 1 0 285.294 2.947 10 5 CFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000313047192 618973642 /nfs/dbraw/zinc/97/36/42/618973642.db2.gz SARSXZUYLWMTLF-HZMBPMFUSA-N 1 0 295.770 2.813 10 5 CFBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000041030333 620426348 /nfs/dbraw/zinc/42/63/48/620426348.db2.gz ASYJURREBSLZLR-QMMMGPOBSA-N 1 0 289.257 2.541 10 5 CFBERO CCOc1cccc(N[C@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000229610994 623215415 /nfs/dbraw/zinc/21/54/15/623215415.db2.gz NOJWPMPDGYHWLU-MNOVXSKESA-N 1 0 279.340 2.546 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230133923 623257570 /nfs/dbraw/zinc/25/75/70/623257570.db2.gz DTMLUYALAWGUPE-ZMLRMANQSA-N 1 0 295.770 2.812 10 5 CFBERO COc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108886 623546249 /nfs/dbraw/zinc/54/62/49/623546249.db2.gz OESPGUKLCAREMV-PWSUYJOCSA-N 1 0 279.340 2.533 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129396836 645176469 /nfs/dbraw/zinc/17/64/69/645176469.db2.gz PDTBGSABZPZAPP-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccc(NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000129462536 645214876 /nfs/dbraw/zinc/21/48/76/645214876.db2.gz OWIDHADIUKRCPI-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]([NH3+])C(C)C ZINC000133640085 646199182 /nfs/dbraw/zinc/19/91/82/646199182.db2.gz MWEYVOMHFIZTSW-CYBMUJFWSA-N 1 0 265.357 2.713 10 5 CFBERO Clc1cccc(Cl)c1C[N+]12CCN(CC1)CC2 ZINC000007613150 717105453 /nfs/dbraw/zinc/10/54/53/717105453.db2.gz JOCCSYWWGUEFDB-UHFFFAOYSA-N 1 0 272.199 2.639 10 5 CFBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037163560 346327494 /nfs/dbraw/zinc/32/74/94/346327494.db2.gz ZBXRSVXVNMWKPC-YUTCNCBUSA-N 1 0 278.352 2.857 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037163976 346328082 /nfs/dbraw/zinc/32/80/82/346328082.db2.gz AYEBLQSGUISVRD-SUHUHFCYSA-N 1 0 264.325 2.549 10 5 CFBERO CCOc1cc(N2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000123053390 347817969 /nfs/dbraw/zinc/81/79/69/347817969.db2.gz QXNJFXLLXSMDQS-AAEUAGOBSA-N 1 0 293.367 2.557 10 5 CFBERO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313129869 348421863 /nfs/dbraw/zinc/42/18/63/348421863.db2.gz QDALYLOCJXCXIF-JQWIXIFHSA-N 1 0 281.331 2.606 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000592468264 349125682 /nfs/dbraw/zinc/12/56/82/349125682.db2.gz DXKOFLMJGMOVJW-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCO1 ZINC000104325124 185969134 /nfs/dbraw/zinc/96/91/34/185969134.db2.gz IHNWXYQZHDBSMP-VIFPVBQESA-N 1 0 270.716 2.517 10 5 CFBERO CCOc1cccc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600954612 350636290 /nfs/dbraw/zinc/63/62/90/350636290.db2.gz FNACJFNACPPXCP-MNOVXSKESA-N 1 0 279.340 2.546 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[NH2+]C2CCCCCC2)cn1 ZINC000133547601 187691670 /nfs/dbraw/zinc/69/16/70/187691670.db2.gz DWMJBLMBHKKOCF-UHFFFAOYSA-N 1 0 278.356 2.714 10 5 CFBERO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000183122636 189347232 /nfs/dbraw/zinc/34/72/32/189347232.db2.gz WKEUIJPCLNUSAP-IUODEOHRSA-N 1 0 294.351 2.521 10 5 CFBERO C[NH2+]CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234385744 189822399 /nfs/dbraw/zinc/82/23/99/189822399.db2.gz FWQGFVXUWUAAJJ-UHFFFAOYSA-N 1 0 264.112 2.533 10 5 CFBERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518589 372108418 /nfs/dbraw/zinc/10/84/18/372108418.db2.gz RZNCCVYBIWRNOZ-MNOVXSKESA-N 1 0 279.340 2.556 10 5 CFBERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518598 372108803 /nfs/dbraw/zinc/10/88/03/372108803.db2.gz MIBFDCITSMDLCG-QWRGUYRKSA-N 1 0 279.340 2.556 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000094663266 375373292 /nfs/dbraw/zinc/37/32/92/375373292.db2.gz ZOSVOQVXPKAKHE-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1ccc2oc(S[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092193 375413370 /nfs/dbraw/zinc/41/33/70/375413370.db2.gz LSDKTLQIXQGFDE-VIFPVBQESA-N 1 0 279.321 2.580 10 5 CFBERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000130023239 377502008 /nfs/dbraw/zinc/50/20/08/377502008.db2.gz SYUJGBIUJRBPNY-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000175338682 380047236 /nfs/dbraw/zinc/04/72/36/380047236.db2.gz YTAPAHIVDLCKHC-HNNXBMFYSA-N 1 0 277.368 2.511 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000310390008 382494295 /nfs/dbraw/zinc/49/42/95/382494295.db2.gz DJUSEXSDGSRNCK-QMMMGPOBSA-N 1 0 257.721 2.788 10 5 CFBERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259012 382612555 /nfs/dbraw/zinc/61/25/55/382612555.db2.gz CVCXDFNFUOGAIX-GXTWGEPZSA-N 1 0 277.368 2.648 10 5 CFBERO CCOc1cccc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000228227456 382845604 /nfs/dbraw/zinc/84/56/04/382845604.db2.gz MNXKNFNWVCGECW-NWDGAFQWSA-N 1 0 293.367 2.557 10 5 CFBERO Cc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235539856 382884008 /nfs/dbraw/zinc/88/40/08/382884008.db2.gz SGMSFXKBSFIBQV-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 ZINC000236188426 382892607 /nfs/dbraw/zinc/89/26/07/382892607.db2.gz YHKPSHAWOTUIEF-UHFFFAOYSA-N 1 0 289.257 2.907 10 5 CFBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000236189046 382892933 /nfs/dbraw/zinc/89/29/33/382892933.db2.gz ORKXXZVCPSYHKQ-UHFFFAOYSA-N 1 0 289.257 2.907 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248586838 383266061 /nfs/dbraw/zinc/26/60/61/383266061.db2.gz GINIJOKMOWJWSS-INIZCTEOSA-N 1 0 289.379 2.573 10 5 CFBERO C[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252121384 383405149 /nfs/dbraw/zinc/40/51/49/383405149.db2.gz JKCAWYREFHPLGO-RNCFNFMXSA-N 1 0 283.759 2.812 10 5 CFBERO COc1cc(NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000262496153 383624797 /nfs/dbraw/zinc/62/47/97/383624797.db2.gz LMDDQWXBZQACLG-UHFFFAOYSA-N 1 0 299.330 2.819 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)C ZINC000050812987 522644091 /nfs/dbraw/zinc/64/40/91/522644091.db2.gz YMHNBIVRAMUBKX-UHFFFAOYSA-N 1 0 251.330 2.724 10 5 CFBERO CCOc1cccc(N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000135060029 286572781 /nfs/dbraw/zinc/57/27/81/286572781.db2.gz RUPOKYQEGBJFDR-GFCCVEGCSA-N 1 0 295.383 2.803 10 5 CFBERO C[NH+](C)CCNC(=O)c1ccc2cc3ccccc3nc2c1 ZINC000005140444 170070289 /nfs/dbraw/zinc/07/02/89/170070289.db2.gz PJQJTOSMLZWGGF-UHFFFAOYSA-N 1 0 293.370 2.679 10 5 CFBERO CC[NH+](CC)CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331810 173133193 /nfs/dbraw/zinc/13/31/93/173133193.db2.gz LXFDJJCKEZVTLY-UHFFFAOYSA-N 1 0 286.763 2.787 10 5 CFBERO CC[C@H](C)[N@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336468 173137731 /nfs/dbraw/zinc/13/77/31/173137731.db2.gz AMQZDGXEURZFQO-NSHDSACASA-N 1 0 264.325 2.898 10 5 CFBERO CC[NH2+][C@@H](C)[C@@H](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037949355 173889176 /nfs/dbraw/zinc/88/91/76/173889176.db2.gz GFNMURGIOHYMOF-UWVGGRQHSA-N 1 0 254.305 2.911 10 5 CFBERO CC[NH2+]CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000038043511 174050875 /nfs/dbraw/zinc/05/08/75/174050875.db2.gz SLQGMZPWXHAOGH-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO NC(=[NH2+])c1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000038082064 174091026 /nfs/dbraw/zinc/09/10/26/174091026.db2.gz AFSLOZSNXAPOHC-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO NC(=[NH2+])c1ccccc1COc1ccc([N+](=O)[O-])cc1F ZINC000038082063 174091192 /nfs/dbraw/zinc/09/11/92/174091192.db2.gz MSMRUAZLQIGALD-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO CCN(c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748779 174393749 /nfs/dbraw/zinc/39/37/49/174393749.db2.gz FOJHSFLCORSLJP-ODOQXGPZSA-N 1 0 275.352 2.704 10 5 CFBERO O=[N+]([O-])c1ccccc1SC[C@H]1CCC[NH2+]C1 ZINC000043471738 175053656 /nfs/dbraw/zinc/05/36/56/175053656.db2.gz VWKFQVVPZONRPG-JTQLQIEISA-N 1 0 252.339 2.687 10 5 CFBERO [NH3+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000043493214 175057536 /nfs/dbraw/zinc/05/75/36/175057536.db2.gz RLCGTAKFVYLXCP-UHFFFAOYSA-N 1 0 252.657 2.967 10 5 CFBERO Cc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000043499259 175058017 /nfs/dbraw/zinc/05/80/17/175058017.db2.gz LFOMTBHRSUUGDR-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO CCC([NH3+])(CC)c1noc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000043571372 175068809 /nfs/dbraw/zinc/06/88/09/175068809.db2.gz ZMQUNFGGJYPSJU-UHFFFAOYSA-N 1 0 294.286 2.758 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000044493513 175181351 /nfs/dbraw/zinc/18/13/51/175181351.db2.gz SXPUWEPTLFMEPG-LBPRGKRZSA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000044503240 175186404 /nfs/dbraw/zinc/18/64/04/175186404.db2.gz UNLRVVYTEDUAQC-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054267257 175556781 /nfs/dbraw/zinc/55/67/81/175556781.db2.gz QTHQNTMZYUDYLV-UHFFFAOYSA-N 1 0 277.246 2.635 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NCC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000110798420 261468220 /nfs/dbraw/zinc/46/82/20/261468220.db2.gz UCZQNVYNEXJAJD-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000226589399 270257024 /nfs/dbraw/zinc/25/70/24/270257024.db2.gz YLGRIGNTTOJTNJ-DMDPSCGWSA-N 1 0 264.325 2.813 10 5 CFBERO CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261564078 275850331 /nfs/dbraw/zinc/85/03/31/275850331.db2.gz CNBUXLMIOYZWTE-GFCCVEGCSA-N 1 0 283.759 2.812 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000175339177 276169846 /nfs/dbraw/zinc/16/98/46/276169846.db2.gz CNCQUBNDIFLFHM-MRXNPFEDSA-N 1 0 291.395 2.553 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360620 276183114 /nfs/dbraw/zinc/18/31/14/276183114.db2.gz AVQDVNSELICXHO-LBPRGKRZSA-N 1 0 295.358 2.650 10 5 CFBERO C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235321420 278552471 /nfs/dbraw/zinc/55/24/71/278552471.db2.gz QAEBFQPPBOOHEU-ZWNOBZJWSA-N 1 0 297.786 2.807 10 5 CFBERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382420782 324428312 /nfs/dbraw/zinc/42/83/12/324428312.db2.gz KBNRVEJUILYROX-ZJUUUORDSA-N 1 0 267.304 2.582 10 5 CFBERO CCOc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382450364 324429100 /nfs/dbraw/zinc/42/91/00/324429100.db2.gz DSAYHESOKPSANO-GHMZBOCLSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000383377700 324438702 /nfs/dbraw/zinc/43/87/02/324438702.db2.gz LHNLLGLPRVOENK-VIFPVBQESA-N 1 0 279.674 2.643 10 5 CFBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000389723181 324520518 /nfs/dbraw/zinc/52/05/18/324520518.db2.gz INQBFBCSEILMRB-KCJUWKMLSA-N 1 0 269.732 2.658 10 5 CFBERO CCCCOCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000049261560 520794647 /nfs/dbraw/zinc/79/46/47/520794647.db2.gz CSJMLRFKNSWSID-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000232994359 521189747 /nfs/dbraw/zinc/18/97/47/521189747.db2.gz NNRLHZLDINWGFK-MRVPVSSYSA-N 1 0 273.283 2.802 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723875 521649854 /nfs/dbraw/zinc/64/98/54/521649854.db2.gz YBAWSRKXCBSTPR-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO CC(C)(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000069236510 518767513 /nfs/dbraw/zinc/76/75/13/518767513.db2.gz VWSNVNAUZFYBLM-UHFFFAOYSA-N 1 0 274.324 2.873 10 5 CFBERO CC(C)[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054267682 519721927 /nfs/dbraw/zinc/72/19/27/519721927.db2.gz CGLHGPONBCRAPP-UHFFFAOYSA-N 1 0 274.324 2.553 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049219030 519794083 /nfs/dbraw/zinc/79/40/83/519794083.db2.gz SIXDIQPCZYXJAL-CYBMUJFWSA-N 1 0 269.320 2.732 10 5 CFBERO CCNc1ccc(C[N@@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000050817857 520301377 /nfs/dbraw/zinc/30/13/77/520301377.db2.gz RBRPSIZWTBXZAP-UHFFFAOYSA-N 1 0 295.408 2.966 10 5 CFBERO CCNc1ccc(C[N@H+](CCOC)C2CC2)cc1[N+](=O)[O-] ZINC000050816152 520302247 /nfs/dbraw/zinc/30/22/47/520302247.db2.gz YLCMRVQHISUUBB-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815433 520545051 /nfs/dbraw/zinc/54/50/51/520545051.db2.gz BXSICBLIYOHUHN-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO CC[N@@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)CC1CC1 ZINC000069239731 521323430 /nfs/dbraw/zinc/32/34/30/521323430.db2.gz UZBHTTOCYYMOAD-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723876 521627660 /nfs/dbraw/zinc/62/76/60/521627660.db2.gz YBAWSRKXCBSTPR-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000050813315 522645597 /nfs/dbraw/zinc/64/55/97/522645597.db2.gz CPWMPGJQDAXGSZ-LBPRGKRZSA-N 1 0 281.381 2.574 10 5 CFBERO CC[C@H](C)COc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000050423881 523888879 /nfs/dbraw/zinc/88/88/79/523888879.db2.gz HMGFORLDRKGNDR-JTQLQIEISA-N 1 0 252.314 2.739 10 5 CFBERO Cc1cc(C)c(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000050441894 524310351 /nfs/dbraw/zinc/31/03/51/524310351.db2.gz SZPMADQOZMNBBU-UHFFFAOYSA-N 1 0 264.325 2.590 10 5 CFBERO COc1ccc(N[C@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000049558232 524709426 /nfs/dbraw/zinc/70/94/26/524709426.db2.gz AHNCCROBZVJGDQ-GFCCVEGCSA-N 1 0 295.383 2.992 10 5 CFBERO Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000051360398 525069664 /nfs/dbraw/zinc/06/96/64/525069664.db2.gz HJCRZVAKUUDXSO-DZGCQCFKSA-N 1 0 275.352 2.624 10 5 CFBERO Cc1cc(N[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000048553662 525299832 /nfs/dbraw/zinc/29/98/32/525299832.db2.gz PVQDGCKOIIIQHN-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701641 525427443 /nfs/dbraw/zinc/42/74/43/525427443.db2.gz COHUXIORMKOTDW-LBPRGKRZSA-N 1 0 264.325 2.672 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@H](C(C)C)[C@H](C)[NH3+] ZINC000061686087 525464456 /nfs/dbraw/zinc/46/44/56/525464456.db2.gz HEQWVYJPHFQMPD-GXFFZTMASA-N 1 0 266.341 2.765 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201209 525565480 /nfs/dbraw/zinc/56/54/80/525565480.db2.gz MBJYLKBFJLDFAD-OAHLLOKOSA-N 1 0 289.379 2.872 10 5 CFBERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049150100 525599338 /nfs/dbraw/zinc/59/93/38/525599338.db2.gz LFRPYRSYAPIPJF-QWHCGFSZSA-N 1 0 277.368 2.730 10 5 CFBERO Cc1c(C[NH2+][C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501353 525727987 /nfs/dbraw/zinc/72/79/87/525727987.db2.gz LZEXTPRKPODIPE-ZDUSSCGKSA-N 1 0 291.395 2.867 10 5 CFBERO Cc1c(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000062724461 525867667 /nfs/dbraw/zinc/86/76/67/525867667.db2.gz CPHHCDTXQUEANT-FOSCPWQOSA-N 1 0 261.325 2.598 10 5 CFBERO O=[N+]([O-])c1ccc(COC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051815613 527352197 /nfs/dbraw/zinc/35/21/97/527352197.db2.gz XIHCCVHWVYQUJV-JTQLQIEISA-N 1 0 284.743 2.764 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000063177549 527352363 /nfs/dbraw/zinc/35/23/63/527352363.db2.gz HJLRYWVAXMLLLX-KOLCDFICSA-N 1 0 289.257 2.905 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1COCC[C@H]1CCC[NH2+]C1 ZINC000051917961 527356938 /nfs/dbraw/zinc/35/69/38/527356938.db2.gz FQTMHKGZHPVVGX-LLVKDONJSA-N 1 0 282.315 2.640 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964157 527358770 /nfs/dbraw/zinc/35/87/70/527358770.db2.gz KKHFYFKKZSOQOR-JOYOIKCWSA-N 1 0 254.717 2.918 10 5 CFBERO [NH3+][C@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063214417 527394930 /nfs/dbraw/zinc/39/49/30/527394930.db2.gz JBZAJCBWGBITHO-WDEREUQCSA-N 1 0 294.311 2.575 10 5 CFBERO [NH3+][C@H]1CCCCC[C@@H]1Nc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000063214490 527395192 /nfs/dbraw/zinc/39/51/92/527395192.db2.gz HTFZNVZMVKBRLB-UWVGGRQHSA-N 1 0 285.294 2.945 10 5 CFBERO Cc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050163929 618082996 /nfs/dbraw/zinc/08/29/96/618082996.db2.gz RHBVRRNWMUZGFS-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759539 618195515 /nfs/dbraw/zinc/19/55/15/618195515.db2.gz VYEOADZZBNJHLM-GFCCVEGCSA-N 1 0 298.770 2.985 10 5 CFBERO [NH3+]C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000236238896 618354014 /nfs/dbraw/zinc/35/40/14/618354014.db2.gz OPZLGWBSRSTOMS-JTQLQIEISA-N 1 0 284.747 2.573 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000230134344 623253977 /nfs/dbraw/zinc/25/39/77/623253977.db2.gz HKPCBLADGHOREK-XHVZSJERSA-N 1 0 295.770 2.812 10 5 CFBERO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231458591 623346671 /nfs/dbraw/zinc/34/66/71/623346671.db2.gz FUNXWCXLKCDEOR-GFCCVEGCSA-N 1 0 297.786 2.822 10 5 CFBERO CCOc1cc(N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089092219 623532295 /nfs/dbraw/zinc/53/22/95/623532295.db2.gz GADRIXAHXWVDQM-PWSUYJOCSA-N 1 0 279.340 2.533 10 5 CFBERO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000110651415 634769236 /nfs/dbraw/zinc/76/92/36/634769236.db2.gz JXLYRVIBMXRWKB-VIFPVBQESA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108449 650827566 /nfs/dbraw/zinc/82/75/66/650827566.db2.gz LCQJMFRDVAPVTB-DGCLKSJQSA-N 1 0 293.367 2.923 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000089109000 650827740 /nfs/dbraw/zinc/82/77/40/650827740.db2.gz SRCKQSHGUAYKQO-ONGXEEELSA-N 1 0 267.304 2.663 10 5 CFBERO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000251594123 650990937 /nfs/dbraw/zinc/99/09/37/650990937.db2.gz CWVJKRDMYPHDBA-IINYFYTJSA-N 1 0 297.786 2.630 10 5 CFBERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000251616702 650991275 /nfs/dbraw/zinc/99/12/75/650991275.db2.gz CITXRMKYCNNCQV-RNCFNFMXSA-N 1 0 283.759 2.812 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000131909740 645849051 /nfs/dbraw/zinc/84/90/51/645849051.db2.gz BFENTHSFOURONG-MRVPVSSYSA-N 1 0 289.257 2.635 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000131914930 645849146 /nfs/dbraw/zinc/84/91/46/645849146.db2.gz FQXDRRRUUFSMHG-MRVPVSSYSA-N 1 0 289.257 2.635 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000133505260 646109779 /nfs/dbraw/zinc/10/97/79/646109779.db2.gz AOMMOCIJMWVMLX-UHFFFAOYSA-N 1 0 285.319 2.672 10 5 CFBERO CC[N+](C)(CC)c1ccc(C)c(OC(=O)NC)c1 ZINC000005688319 717101063 /nfs/dbraw/zinc/10/10/63/717101063.db2.gz QTPXNHRGWDJTHT-UHFFFAOYSA-O 1 0 251.350 2.690 10 5 CFBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CCOC ZINC000249711985 717164975 /nfs/dbraw/zinc/16/49/75/717164975.db2.gz XOVTYSAPMFBGGI-SFHVURJKSA-N 1 0 291.371 2.900 10 5 CFBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1F ZINC000596030377 349778730 /nfs/dbraw/zinc/77/87/30/349778730.db2.gz WKXPRWWLHDBHPV-LLVKDONJSA-N 1 0 255.293 2.519 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111830677 347757225 /nfs/dbraw/zinc/75/72/25/347757225.db2.gz JSHUVKIFYVDJJY-LLVKDONJSA-N 1 0 288.351 2.928 10 5 CFBERO CCOc1cccc(N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320460922 348436623 /nfs/dbraw/zinc/43/66/23/348436623.db2.gz DQWFMGLLILTGBR-UWVGGRQHSA-N 1 0 267.329 2.531 10 5 CFBERO CCOc1cccc(N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320460926 348436745 /nfs/dbraw/zinc/43/67/45/348436745.db2.gz DQWFMGLLILTGBR-ZJUUUORDSA-N 1 0 267.329 2.531 10 5 CFBERO Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C[NH2+]C(C)C)CC2 ZINC000584630000 348695221 /nfs/dbraw/zinc/69/52/21/348695221.db2.gz FNWSBRQWCFSCRO-LBPRGKRZSA-N 1 0 263.341 2.628 10 5 CFBERO CCOc1cccc(NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000591427427 349018994 /nfs/dbraw/zinc/01/89/94/349018994.db2.gz FGZZJYASSONHRP-UHFFFAOYSA-N 1 0 281.356 2.794 10 5 CFBERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000600954475 350636654 /nfs/dbraw/zinc/63/66/54/350636654.db2.gz DCTXUCKBRJPHEX-ZJUUUORDSA-N 1 0 267.304 2.595 10 5 CFBERO Cc1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793217 186325128 /nfs/dbraw/zinc/32/51/28/186325128.db2.gz IBJYIJHZPMAZOC-LBPRGKRZSA-N 1 0 263.341 2.705 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000111830726 186460755 /nfs/dbraw/zinc/46/07/55/186460755.db2.gz IDJGYNHFNOIFSA-NSHDSACASA-N 1 0 288.351 2.928 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000152744869 188040654 /nfs/dbraw/zinc/04/06/54/188040654.db2.gz NPXROUAGYIVNPC-MDZLAQPJSA-N 1 0 282.727 2.658 10 5 CFBERO [NH3+][C@H]1CN(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795926 372190540 /nfs/dbraw/zinc/19/05/40/372190540.db2.gz WNNHYNPWBDXGIV-AWEZNQCLSA-N 1 0 269.304 2.615 10 5 CFBERO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050163670 373359718 /nfs/dbraw/zinc/35/97/18/373359718.db2.gz VEDQDCKVTVJALX-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252876583 220229508 /nfs/dbraw/zinc/22/95/08/220229508.db2.gz QXYONIYJJBCSEY-TUKIKUTGSA-N 1 0 278.352 2.939 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000089108875 374869798 /nfs/dbraw/zinc/86/97/98/374869798.db2.gz ZAHIJNWJGUCPEA-GXSJLCMTSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000093211915 375195508 /nfs/dbraw/zinc/19/55/08/375195508.db2.gz KXQYJWPXTQPSRO-NXEZZACHSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093211860 375196721 /nfs/dbraw/zinc/19/67/21/375196721.db2.gz QUTQKLSDWUTTBE-DTWKUNHWSA-N 1 0 269.732 2.930 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092196 375413537 /nfs/dbraw/zinc/41/35/37/375413537.db2.gz XFAYCWBGILXOPS-SECBINFHSA-N 1 0 293.348 2.970 10 5 CFBERO CCOc1cc(N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111830579 375872162 /nfs/dbraw/zinc/87/21/62/375872162.db2.gz XXDZGYHUTGPHHZ-GFCCVEGCSA-N 1 0 281.356 2.779 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cccc(OCC)c1[N+](=O)[O-] ZINC000135058145 378077997 /nfs/dbraw/zinc/07/79/97/378077997.db2.gz KAYSBHPSMNNXGX-LLVKDONJSA-N 1 0 281.356 2.923 10 5 CFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152554557 378427061 /nfs/dbraw/zinc/42/70/61/378427061.db2.gz FAOOTHOJCIVWSW-MRXNPFEDSA-N 1 0 299.330 2.643 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512247 381655317 /nfs/dbraw/zinc/65/53/17/381655317.db2.gz RLFASHYRUKYUSS-GFCCVEGCSA-N 1 0 293.367 2.524 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457785 382614420 /nfs/dbraw/zinc/61/44/20/382614420.db2.gz RQWUSHARGQGJMR-ZFWWWQNUSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000389726263 382616333 /nfs/dbraw/zinc/61/63/33/382616333.db2.gz LBDQRJUWZMFZJY-PRHODGIISA-N 1 0 269.732 2.658 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236047598 382891481 /nfs/dbraw/zinc/89/14/81/382891481.db2.gz PVBWBIMVSHXTHQ-ZJUUUORDSA-N 1 0 281.743 2.579 10 5 CFBERO Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245559675 383007873 /nfs/dbraw/zinc/00/78/73/383007873.db2.gz LYHQUEQBJYNZHS-HNNXBMFYSA-N 1 0 289.379 2.573 10 5 CFBERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245775651 383034665 /nfs/dbraw/zinc/03/46/65/383034665.db2.gz SPXSVIUIJZXWMI-UKRRQHHQSA-N 1 0 289.379 2.572 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247539136 383182628 /nfs/dbraw/zinc/18/26/28/383182628.db2.gz QMLJZMAXXYTSDJ-ZDUSSCGKSA-N 1 0 295.770 2.528 10 5 CFBERO Cc1nc(NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262454553 383622468 /nfs/dbraw/zinc/62/24/68/383622468.db2.gz IBHNSLZDNIBEBN-CQSZACIVSA-N 1 0 298.346 2.597 10 5 CFBERO O=[N+]([O-])c1ccccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133689108 285162706 /nfs/dbraw/zinc/16/27/06/285162706.db2.gz RQKLFLVYKLYOOR-UHFFFAOYSA-N 1 0 275.352 2.563 10 5 CFBERO CCOC(=O)CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000081545197 177814460 /nfs/dbraw/zinc/81/44/60/177814460.db2.gz OUKFOZPVZIEQQS-CQSZACIVSA-N 1 0 294.351 2.979 10 5 CFBERO CC(C)CC[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302818870 393496007 /nfs/dbraw/zinc/49/60/07/393496007.db2.gz NQOXOVQNDLKELB-UHFFFAOYSA-N 1 0 295.358 2.902 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420191104 394090864 /nfs/dbraw/zinc/09/08/64/394090864.db2.gz RDXWFONPGXEUHK-GFCCVEGCSA-N 1 0 274.324 2.538 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C ZINC000130523046 394112977 /nfs/dbraw/zinc/11/29/77/394112977.db2.gz VLIZDAZYQSSTLM-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208893 171073410 /nfs/dbraw/zinc/07/34/10/171073410.db2.gz VGHCYRMVDNDIJV-SUNKGSAMSA-N 1 0 264.325 2.813 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020549294 171246232 /nfs/dbraw/zinc/24/62/32/171246232.db2.gz TUHSCQHNESAAJB-CYBMUJFWSA-N 1 0 281.743 2.754 10 5 CFBERO Cc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000037321537 173122312 /nfs/dbraw/zinc/12/23/12/173122312.db2.gz VUVCIPSZVSXOHN-HNNXBMFYSA-N 1 0 293.411 2.969 10 5 CFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386481 173169832 /nfs/dbraw/zinc/16/98/32/173169832.db2.gz BKYKRYBAOOBKRP-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[NH2+][C@H](C)[C@H](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000037949362 173889487 /nfs/dbraw/zinc/88/94/87/173889487.db2.gz PIXWWPZBPFPZFA-GHMZBOCLSA-N 1 0 266.341 2.780 10 5 CFBERO COc1ccc([C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038128895 174131804 /nfs/dbraw/zinc/13/18/04/174131804.db2.gz SZOOZTCJAOTSRA-OAHLLOKOSA-N 1 0 272.304 2.846 10 5 CFBERO C[C@@H]1CCC[C@](CNCc2ccc([N+](=O)[O-])o2)([NH+](C)C)C1 ZINC000040668837 174367340 /nfs/dbraw/zinc/36/73/40/174367340.db2.gz OKTQCFYKRQROIJ-DOMZBBRYSA-N 1 0 295.383 2.788 10 5 CFBERO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000040747354 174392454 /nfs/dbraw/zinc/39/24/54/174392454.db2.gz MWAVMEIOYJKVRA-ONXXMXGDSA-N 1 0 275.352 2.622 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c2cccnc21 ZINC000044503120 175186188 /nfs/dbraw/zinc/18/61/88/175186188.db2.gz JZTYYJQGEMHXEC-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO CCC[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000044652128 175225086 /nfs/dbraw/zinc/22/50/86/175225086.db2.gz NQCIXPIEVNUTQA-UHFFFAOYSA-N 1 0 274.324 2.793 10 5 CFBERO CC[NH2+]Cc1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000044732101 175240901 /nfs/dbraw/zinc/24/09/01/175240901.db2.gz JOKUAHPYPSATCC-UHFFFAOYSA-N 1 0 263.322 2.828 10 5 CFBERO [NH3+]C1CCC(c2nc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC000044732015 175241056 /nfs/dbraw/zinc/24/10/56/175241056.db2.gz FONLLJKCHQBVAR-UHFFFAOYSA-N 1 0 288.307 2.630 10 5 CFBERO CCC[NH2+]CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054267543 175556683 /nfs/dbraw/zinc/55/66/83/175556683.db2.gz LYEHKZTZMSZSRU-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO COc1ccc(C[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000071424653 176161371 /nfs/dbraw/zinc/16/13/71/176161371.db2.gz PNUQKWDDPTVQFZ-LLVKDONJSA-N 1 0 252.314 2.519 10 5 CFBERO CC(C)[C@@H](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079254691 177459541 /nfs/dbraw/zinc/45/95/41/177459541.db2.gz FRXSUNZLPCFZHZ-GFCCVEGCSA-N 1 0 293.367 2.935 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482910 265369696 /nfs/dbraw/zinc/36/96/96/265369696.db2.gz FDOSLJYTJPZARW-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO CC[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198486 270299367 /nfs/dbraw/zinc/29/93/67/270299367.db2.gz RHDGURUNKHXGKC-JTQLQIEISA-N 1 0 269.732 2.754 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000038050947 274961816 /nfs/dbraw/zinc/96/18/16/274961816.db2.gz WGCWMOFVLHNRQF-RYUDHWBXSA-N 1 0 286.335 2.825 10 5 CFBERO C[C@@H]([NH3+])C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000125202881 278305124 /nfs/dbraw/zinc/30/51/24/278305124.db2.gz OYAYWWHPSZGKEG-SECBINFHSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000235915179 281014785 /nfs/dbraw/zinc/01/47/85/281014785.db2.gz XLUIYDUZGLYOCR-ZDUSSCGKSA-N 1 0 263.341 2.833 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000158933642 281261379 /nfs/dbraw/zinc/26/13/79/281261379.db2.gz FFVIGHHLKAIHPT-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000261659758 295251145 /nfs/dbraw/zinc/25/11/45/295251145.db2.gz ZKRFRMUOUIDJDG-QPUJVOFHSA-N 1 0 285.294 2.802 10 5 CFBERO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000385115576 324457755 /nfs/dbraw/zinc/45/77/55/324457755.db2.gz DTWUSHKWAVZQCV-UHFFFAOYSA-N 1 0 289.257 2.540 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCCC[NH2+]C(C)C ZINC000579093945 324919351 /nfs/dbraw/zinc/91/93/51/324919351.db2.gz IBIYVOFWHHABRG-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO CCCCOCCOc1ccc(C[NH2+]C)cc1[N+](=O)[O-] ZINC000049261444 520792840 /nfs/dbraw/zinc/79/28/40/520792840.db2.gz VQXVGQWHWZUAIT-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO CC(C)(C)[NH2+]CCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000050620547 518759175 /nfs/dbraw/zinc/75/91/75/518759175.db2.gz LYTMEDMKJKNIGJ-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CCOc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089092218 520764384 /nfs/dbraw/zinc/76/43/84/520764384.db2.gz GADRIXAHXWVDQM-ZYHUDNBSSA-N 1 0 279.340 2.533 10 5 CFBERO CCCCOCCOc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516651 520792429 /nfs/dbraw/zinc/79/24/29/520792429.db2.gz CMBBRWBAIKPWFT-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860801 521049125 /nfs/dbraw/zinc/04/91/25/521049125.db2.gz HRNYIIYKIKSLRD-VIFPVBQESA-N 1 0 285.319 2.672 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000310779781 521190866 /nfs/dbraw/zinc/19/08/66/521190866.db2.gz XCJXEPDCZFAOOM-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOCCC(C)C)c1 ZINC000050516728 522124817 /nfs/dbraw/zinc/12/48/17/522124817.db2.gz KNXGCJNZBODBPT-UHFFFAOYSA-N 1 0 296.367 2.756 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCC=C(C)C)c1 ZINC000050516764 522125832 /nfs/dbraw/zinc/12/58/32/522125832.db2.gz MKUPGDGVHUQOQR-UHFFFAOYSA-N 1 0 250.298 2.659 10 5 CFBERO C[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000050618357 522456358 /nfs/dbraw/zinc/45/63/58/522456358.db2.gz OGIKAIFVLXSGHN-ZCFIWIBFSA-N 1 0 282.687 2.579 10 5 CFBERO CNc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792475 522610791 /nfs/dbraw/zinc/61/07/91/522610791.db2.gz YWXPQFZAUKCUCX-LLVKDONJSA-N 1 0 263.341 2.868 10 5 CFBERO CC[C@H](O)COc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517318 522823432 /nfs/dbraw/zinc/82/34/32/522823432.db2.gz VQPHTKJRMPDPDN-LBPRGKRZSA-N 1 0 296.367 2.633 10 5 CFBERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812884 523179074 /nfs/dbraw/zinc/17/90/74/523179074.db2.gz RGNHEBRWFLRXCO-GFCCVEGCSA-N 1 0 263.341 2.942 10 5 CFBERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444055 523986951 /nfs/dbraw/zinc/98/69/51/523986951.db2.gz GKWZUNGOMJHUGA-YPMHNXCESA-N 1 0 284.743 2.905 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000310947828 524137788 /nfs/dbraw/zinc/13/77/88/524137788.db2.gz YDGWJQKNHMVJTM-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000311003878 524141000 /nfs/dbraw/zinc/14/10/00/524141000.db2.gz NSTAQWYIEJWJFZ-MRVPVSSYSA-N 1 0 272.736 2.573 10 5 CFBERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792806 524280031 /nfs/dbraw/zinc/28/00/31/524280031.db2.gz PBIYRDDTTROJBU-GHMZBOCLSA-N 1 0 263.341 2.940 10 5 CFBERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149961 524318371 /nfs/dbraw/zinc/31/83/71/524318371.db2.gz ATXPPFVVCPXKSW-CHWSQXEVSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H](C[NH+]1CCCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049503120 524336287 /nfs/dbraw/zinc/33/62/87/524336287.db2.gz HEPUKPFKHBYWNE-SNVBAGLBSA-N 1 0 298.774 2.930 10 5 CFBERO Cc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000049198259 524593442 /nfs/dbraw/zinc/59/34/42/524593442.db2.gz APXKBEAQNUZNRA-AWEZNQCLSA-N 1 0 279.384 2.579 10 5 CFBERO Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000061701266 524886932 /nfs/dbraw/zinc/88/69/32/524886932.db2.gz OAHJAGOFBVOSKH-ONXXMXGDSA-N 1 0 275.352 2.622 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CCC([NH2+]CC2CC2)CC1 ZINC000157592051 524906700 /nfs/dbraw/zinc/90/67/00/524906700.db2.gz PSUBEOHXYCAAMO-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1ccc(N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063197061 524944791 /nfs/dbraw/zinc/94/47/91/524944791.db2.gz DWNHDSJARFHACW-VXGBXAGGSA-N 1 0 263.341 2.609 10 5 CFBERO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)c(F)cc1[N+](=O)[O-] ZINC000313183875 525027596 /nfs/dbraw/zinc/02/75/96/525027596.db2.gz VWLCARLCMWZMRA-LBPRGKRZSA-N 1 0 283.347 2.852 10 5 CFBERO Cc1cc(NC(=O)CC2CC[NH2+]CC2)c([N+](=O)[O-])cc1C ZINC000050439856 525120042 /nfs/dbraw/zinc/12/00/42/525120042.db2.gz UTZNRJXINCWLDX-UHFFFAOYSA-N 1 0 291.351 2.540 10 5 CFBERO Cc1cc(NC(=O)CC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000050951658 525129170 /nfs/dbraw/zinc/12/91/70/525129170.db2.gz CNOLABBSKLDEOY-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061700761 525280890 /nfs/dbraw/zinc/28/08/90/525280890.db2.gz VRCYSRPFWWDKBX-LBPRGKRZSA-N 1 0 275.352 2.799 10 5 CFBERO Cc1ccc(N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000311084310 525310668 /nfs/dbraw/zinc/31/06/68/525310668.db2.gz XJSNCBDTXZBFMC-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO Cc1ccc(N[C@@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049219075 525311470 /nfs/dbraw/zinc/31/14/70/525311470.db2.gz FZISZDPFMBEFOO-ZDUSSCGKSA-N 1 0 265.357 2.901 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944592 525565437 /nfs/dbraw/zinc/56/54/37/525565437.db2.gz HIBHJXOWKVXJLZ-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000049150018 525599664 /nfs/dbraw/zinc/59/96/64/525599664.db2.gz UKBPARGUKZEKQA-QWHCGFSZSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H](Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050164099 525699588 /nfs/dbraw/zinc/69/95/88/525699588.db2.gz MLLVAINWBDJFPQ-NXEZZACHSA-N 1 0 267.304 2.534 10 5 CFBERO Cc1c(C[NH2+][C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501355 525728039 /nfs/dbraw/zinc/72/80/39/525728039.db2.gz LZEXTPRKPODIPE-CYBMUJFWSA-N 1 0 291.395 2.867 10 5 CFBERO Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1C[NH3+] ZINC000050444856 526290736 /nfs/dbraw/zinc/29/07/36/526290736.db2.gz WNRVVROERQFRMU-UHFFFAOYSA-N 1 0 294.742 2.569 10 5 CFBERO NC(=[NH2+])c1c(F)cccc1Oc1ccccc1[N+](=O)[O-] ZINC000062714855 526819128 /nfs/dbraw/zinc/81/91/28/526819128.db2.gz TWWDPQGFAMJJBX-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO NC(=[NH2+])c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000062714853 526819558 /nfs/dbraw/zinc/81/95/58/526819558.db2.gz CARKBUCLILMUQK-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO [NH3+]C[C@H](Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000155832320 527229174 /nfs/dbraw/zinc/22/91/74/527229174.db2.gz CCUBWYJVXRGPII-ZDUSSCGKSA-N 1 0 263.341 2.914 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCN1CCCCC1 ZINC000050443915 527332980 /nfs/dbraw/zinc/33/29/80/527332980.db2.gz XETWGLKICYCIQX-UHFFFAOYSA-N 1 0 297.786 2.824 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000063176693 527352895 /nfs/dbraw/zinc/35/28/95/527352895.db2.gz YGANCOZYNUTHMG-KOLCDFICSA-N 1 0 255.705 2.540 10 5 CFBERO C[NH2+][C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000234478090 617807436 /nfs/dbraw/zinc/80/74/36/617807436.db2.gz HKDRROOQUIMQDZ-ZETCQYMHSA-N 1 0 290.150 2.700 10 5 CFBERO CC[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757176016 617868798 /nfs/dbraw/zinc/86/87/98/617868798.db2.gz SLGSCULLRDBCDL-IONNQARKSA-N 1 0 287.113 2.528 10 5 CFBERO [NH3+][C@H]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093211854 618387162 /nfs/dbraw/zinc/38/71/62/618387162.db2.gz CYVDZRTXDOJADF-UWVGGRQHSA-N 1 0 269.732 2.930 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261599607 619174158 /nfs/dbraw/zinc/17/41/58/619174158.db2.gz BGDZKEKENRUGSG-CYBMUJFWSA-N 1 0 293.342 2.702 10 5 CFBERO CCC[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054267497 619968139 /nfs/dbraw/zinc/96/81/39/619968139.db2.gz IDEMAQFXFMGTJR-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO COc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227859952 623121922 /nfs/dbraw/zinc/12/19/22/623121922.db2.gz IXVSMJUNXXXWGV-VHSXEESVSA-N 1 0 297.330 2.543 10 5 CFBERO Cc1c(C[NH2+][C@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000231042200 623319367 /nfs/dbraw/zinc/31/93/67/623319367.db2.gz ROIXPFBAMIDTJG-KBPBESRZSA-N 1 0 278.352 2.544 10 5 CFBERO CC[C@H]([NH3+])CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083731005 625995972 /nfs/dbraw/zinc/99/59/72/625995972.db2.gz ASNDTZVLQIRDOJ-QMMMGPOBSA-N 1 0 288.145 2.507 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000089106100 650827846 /nfs/dbraw/zinc/82/78/46/650827846.db2.gz VSIFSCHQGNJLET-AAEUAGOBSA-N 1 0 286.335 2.682 10 5 CFBERO CC1(CNc2ccc(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129474536 645216655 /nfs/dbraw/zinc/21/66/55/645216655.db2.gz UMLYZIWTTFSMDA-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO CC[N+](C)(CC)CC1(COc2ccccc2)COC1 ZINC000005955201 717102718 /nfs/dbraw/zinc/10/27/18/717102718.db2.gz URYWCUMIUZKKEB-UHFFFAOYSA-N 1 0 264.389 2.568 10 5 CFBERO COc1ccc([C@H](O)c2ccccc2C[N+](C)(C)C)cc1 ZINC000006519616 717104584 /nfs/dbraw/zinc/10/45/84/717104584.db2.gz HXAZNYDOFVJEOB-SFHVURJKSA-N 1 0 286.395 2.983 10 5 CFBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CCOC ZINC000249711984 717165137 /nfs/dbraw/zinc/16/51/37/717165137.db2.gz XOVTYSAPMFBGGI-GOSISDBHSA-N 1 0 291.371 2.900 10 5 CFBERO CCOC1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000124782099 187154155 /nfs/dbraw/zinc/15/41/55/187154155.db2.gz NUESYFBGVGXLQY-JKDOVBDQSA-N 1 0 264.325 2.813 10 5 CFBERO Cc1cccc(NCC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000596029866 349778621 /nfs/dbraw/zinc/77/86/21/349778621.db2.gz CNVIZMZSRAOGRQ-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO Cc1ccnc(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000097829642 232181509 /nfs/dbraw/zinc/18/15/09/232181509.db2.gz UCAKMHXRHNCTEM-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000034220568 346315632 /nfs/dbraw/zinc/31/56/32/346315632.db2.gz BVUNFAAOQWGVQX-SJORKVTESA-N 1 0 282.343 2.931 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085963116 179204773 /nfs/dbraw/zinc/20/47/73/179204773.db2.gz WVJAUFRSQTZWPT-QMTHXVAHSA-N 1 0 298.770 2.889 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000592181644 349095805 /nfs/dbraw/zinc/09/58/05/349095805.db2.gz OKGCCJWNQIUOKS-HBNTYKKESA-N 1 0 252.339 2.935 10 5 CFBERO Cc1cc(NCCC2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000593233501 349232559 /nfs/dbraw/zinc/23/25/59/349232559.db2.gz UBGRZWOGFPRGNC-UHFFFAOYSA-N 1 0 281.331 2.844 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CCCCC[C@H]([NH3+])C1 ZINC000600958516 350637005 /nfs/dbraw/zinc/63/70/05/350637005.db2.gz HEKSKBCLPJBLFE-LBPRGKRZSA-N 1 0 263.341 2.611 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793104 186324953 /nfs/dbraw/zinc/32/49/53/186324953.db2.gz QJWVPLKKTHYGAY-JTQLQIEISA-N 1 0 267.304 2.536 10 5 CFBERO CC[C@H]([NH2+]C1CSC1)c1cccc([N+](=O)[O-])c1 ZINC000611564157 351709616 /nfs/dbraw/zinc/70/96/16/351709616.db2.gz RVEGKBPBYFASDA-LBPRGKRZSA-N 1 0 252.339 2.751 10 5 CFBERO CCOc1cc(NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000568374651 290550395 /nfs/dbraw/zinc/55/03/95/290550395.db2.gz UQGBGSWPGRZUFI-UHFFFAOYSA-N 1 0 281.356 2.794 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964299 283459939 /nfs/dbraw/zinc/45/99/39/283459939.db2.gz LHRNLXWTRQSNTA-LBPRGKRZSA-N 1 0 283.759 2.561 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000183305246 189354671 /nfs/dbraw/zinc/35/46/71/189354671.db2.gz GINIJOKMOWJWSS-MRXNPFEDSA-N 1 0 289.379 2.573 10 5 CFBERO Cc1nc(NC[C@@H]2CCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301848029 201230536 /nfs/dbraw/zinc/23/05/36/201230536.db2.gz NTMNHHQPTBWMNC-ZDUSSCGKSA-N 1 0 292.383 2.831 10 5 CFBERO Cc1cc(NC[C@@H]2CCC[N@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301852407 201234248 /nfs/dbraw/zinc/23/42/48/201234248.db2.gz PXFMLVFUGGHGHB-ZDUSSCGKSA-N 1 0 292.383 2.831 10 5 CFBERO Cc1nc2ccccc2c(NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000027552896 372342878 /nfs/dbraw/zinc/34/28/78/372342878.db2.gz VPWOHROYLJHIEB-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO C[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075469 373747578 /nfs/dbraw/zinc/74/75/78/373747578.db2.gz GQYNJRPSFXROOU-NSHDSACASA-N 1 0 281.331 2.878 10 5 CFBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000063171713 373791295 /nfs/dbraw/zinc/79/12/95/373791295.db2.gz NDXZHRVUFDHWCA-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000075782920 374503962 /nfs/dbraw/zinc/50/39/62/374503962.db2.gz VJRKHHORMNWHTR-ZANVPECISA-N 1 0 284.743 2.905 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000250924031 189968734 /nfs/dbraw/zinc/96/87/34/189968734.db2.gz RKJDNAYOYHRSJP-NJZAAPMLSA-N 1 0 278.352 2.715 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774963 375379153 /nfs/dbraw/zinc/37/91/53/375379153.db2.gz DSRIAXSDLUWSLC-ZDUSSCGKSA-N 1 0 295.358 2.650 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(SC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092143 375412618 /nfs/dbraw/zinc/41/26/18/375412618.db2.gz YGXGMXDPWFDPBN-SECBINFHSA-N 1 0 292.364 2.563 10 5 CFBERO Cc1cc(NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000129381560 377419269 /nfs/dbraw/zinc/41/92/69/377419269.db2.gz NLRHJNLKAAZEJP-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000130085707 377508123 /nfs/dbraw/zinc/50/81/23/377508123.db2.gz AVYVGMKJEAGZQJ-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000134253939 377996666 /nfs/dbraw/zinc/99/66/66/377996666.db2.gz RXTFKEQKFWQTAC-PRHODGIISA-N 1 0 270.716 2.515 10 5 CFBERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173421125 379737108 /nfs/dbraw/zinc/73/71/08/379737108.db2.gz GIDIVGGDZKMHPU-GOPGUHFVSA-N 1 0 298.342 2.904 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000182602690 381118756 /nfs/dbraw/zinc/11/87/56/381118756.db2.gz JGLZUEYSGNRQFF-FZMZJTMJSA-N 1 0 290.319 2.880 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958231 382202448 /nfs/dbraw/zinc/20/24/48/382202448.db2.gz OEXJHZIRPMVRMO-HIFRSBDPSA-N 1 0 289.379 2.966 10 5 CFBERO CCOc1cc(N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320737846 382538567 /nfs/dbraw/zinc/53/85/67/382538567.db2.gz UJMRFKJDRFFRPY-UWVGGRQHSA-N 1 0 267.329 2.531 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320990708 382540163 /nfs/dbraw/zinc/54/01/63/382540163.db2.gz YKYVFMLHJOVGDT-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO CCOc1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382472233 382530722 /nfs/dbraw/zinc/53/07/22/382530722.db2.gz QOBPUYCBTKMKPW-MNOVXSKESA-N 1 0 279.340 2.533 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000229601871 382852525 /nfs/dbraw/zinc/85/25/25/382852525.db2.gz KZSYKYLHBFSGKF-JQWIXIFHSA-N 1 0 286.335 2.695 10 5 CFBERO Cc1cccc(NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235893139 382889818 /nfs/dbraw/zinc/88/98/18/382889818.db2.gz OCXSMVXGCLTSIM-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000236239700 382892705 /nfs/dbraw/zinc/89/27/05/382892705.db2.gz XACZMCGDEJCICT-LBPRGKRZSA-N 1 0 298.774 2.963 10 5 CFBERO [NH3+]C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000236187108 382892966 /nfs/dbraw/zinc/89/29/66/382892966.db2.gz WWUVHRZAXISMGV-UHFFFAOYSA-N 1 0 255.705 2.542 10 5 CFBERO CC1(CNc2c(F)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261594415 383523520 /nfs/dbraw/zinc/52/35/20/383523520.db2.gz NPQULUOSGSFWRH-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](C2CCCC2)CC1 ZINC000302793841 285118996 /nfs/dbraw/zinc/11/89/96/285118996.db2.gz HRZVTSCATYGXBX-UHFFFAOYSA-N 1 0 293.342 2.799 10 5 CFBERO Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313201563 291934813 /nfs/dbraw/zinc/93/48/13/291934813.db2.gz YTHLEKBOWBLHOX-XPTSAGLGSA-N 1 0 281.331 2.606 10 5 CFBERO C[C@@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000282197217 195535003 /nfs/dbraw/zinc/53/50/03/195535003.db2.gz LAUOIZLSPGNBCD-VXGBXAGGSA-N 1 0 278.352 2.888 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000130581994 394114152 /nfs/dbraw/zinc/11/41/52/394114152.db2.gz SXOKTSAPACYESN-GFCCVEGCSA-N 1 0 251.330 2.833 10 5 CFBERO C[NH+](C)CC(C)(C)CNc1cccc([N+](=O)[O-])c1 ZINC000035081295 171966105 /nfs/dbraw/zinc/96/61/05/171966105.db2.gz WOWSGZSEFUTOGR-UHFFFAOYSA-N 1 0 251.330 2.595 10 5 CFBERO CC[C@@H](CC(N)=[NH2+])Sc1ccccc1[N+](=O)[O-] ZINC000035286777 172105159 /nfs/dbraw/zinc/10/51/59/172105159.db2.gz SCQWDDMGBWENTP-QMMMGPOBSA-N 1 0 253.327 2.792 10 5 CFBERO CC(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1F ZINC000037064771 172927901 /nfs/dbraw/zinc/92/79/01/172927901.db2.gz KAHZJBWWINYBSQ-UHFFFAOYSA-N 1 0 256.277 2.501 10 5 CFBERO C[C@H]([NH2+]Cc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177107 173010731 /nfs/dbraw/zinc/01/07/31/173010731.db2.gz JZMJXFKHAZPHNJ-NSHDSACASA-N 1 0 257.293 2.841 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331832 173133582 /nfs/dbraw/zinc/13/35/82/173133582.db2.gz YJQZOXXICOQDQI-VIFPVBQESA-N 1 0 284.747 2.539 10 5 CFBERO CCC[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037335074 173135720 /nfs/dbraw/zinc/13/57/20/173135720.db2.gz ULVBPNDFFZGXAH-UHFFFAOYSA-N 1 0 264.325 2.898 10 5 CFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386447 173169658 /nfs/dbraw/zinc/16/96/58/173169658.db2.gz LQEORFBQMCRFGV-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO C[C@@H]([NH3+])Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c[nH]1 ZINC000037608958 173557165 /nfs/dbraw/zinc/55/71/65/173557165.db2.gz DLSWLHNDORPJLR-SSDOTTSWSA-N 1 0 280.715 2.528 10 5 CFBERO C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029372 174019881 /nfs/dbraw/zinc/01/98/81/174019881.db2.gz BPWDRBCRGSKOFK-LBPRGKRZSA-N 1 0 263.341 2.881 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[NH2+]CC2CCCC2)cc1 ZINC000038079431 174089255 /nfs/dbraw/zinc/08/92/55/174089255.db2.gz DBWMSEODVFEUIX-UHFFFAOYSA-N 1 0 264.325 2.753 10 5 CFBERO CC[NH+]1CCC(Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000038098340 174113505 /nfs/dbraw/zinc/11/35/05/174113505.db2.gz OUWPBIOZACLMHO-UHFFFAOYSA-N 1 0 267.304 2.630 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040622480 174354489 /nfs/dbraw/zinc/35/44/89/174354489.db2.gz JPGDEPFQTHIFBS-UONOGXRCSA-N 1 0 291.395 2.976 10 5 CFBERO C[C@@H]1CCC[C@@](CNCc2ccc([N+](=O)[O-])o2)([NH+](C)C)C1 ZINC000040668833 174367408 /nfs/dbraw/zinc/36/74/08/174367408.db2.gz OKTQCFYKRQROIJ-IUODEOHRSA-N 1 0 295.383 2.788 10 5 CFBERO O=[N+]([O-])c1c(NC[C@H]2CCCC[NH2+]2)ccc2ncccc21 ZINC000044493556 175181518 /nfs/dbraw/zinc/18/15/18/175181518.db2.gz GUHWQXBXPNGBBG-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044493116 175181585 /nfs/dbraw/zinc/18/15/85/175181585.db2.gz ZHOHPBKFSTUEEJ-VIFPVBQESA-N 1 0 269.732 2.802 10 5 CFBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c(Cl)c1 ZINC000044509180 175186987 /nfs/dbraw/zinc/18/69/87/175186987.db2.gz GFCMJEFFVJGFOR-UHFFFAOYSA-N 1 0 269.732 2.660 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C ZINC000044563159 175206628 /nfs/dbraw/zinc/20/66/28/175206628.db2.gz PVZOTKREQGSQJQ-ZDUSSCGKSA-N 1 0 263.341 2.799 10 5 CFBERO CC(C)(C)[NH2+]CCc1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732021 175240741 /nfs/dbraw/zinc/24/07/41/175240741.db2.gz OCIJUYQLJXDURY-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc2scnc2c1[N+](=O)[O-] ZINC000070447941 175939641 /nfs/dbraw/zinc/93/96/41/175939641.db2.gz VVFLOLOEWFOTAQ-QMMMGPOBSA-N 1 0 280.353 2.600 10 5 CFBERO CCCOc1cc(NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070463633 175944064 /nfs/dbraw/zinc/94/40/64/175944064.db2.gz KJBJJMBSGLXUJK-LBPRGKRZSA-N 1 0 281.356 2.779 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000038050968 274956059 /nfs/dbraw/zinc/95/60/59/274956059.db2.gz KDJUMZMLWSSAMO-DGCLKSJQSA-N 1 0 286.335 2.825 10 5 CFBERO CC1(C)CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261581465 275849900 /nfs/dbraw/zinc/84/99/00/275849900.db2.gz GBVQETGITHTWKY-LLVKDONJSA-N 1 0 283.759 2.812 10 5 CFBERO C[NH2+]CCC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000070190131 277266159 /nfs/dbraw/zinc/26/61/59/277266159.db2.gz BSCLMWOXTINFMU-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CC[NH+](CC)[C@@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302825574 279145412 /nfs/dbraw/zinc/14/54/12/279145412.db2.gz ZCWJJCHKADJYRO-JTQLQIEISA-N 1 0 269.320 2.876 10 5 CFBERO Cc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000063201103 280864879 /nfs/dbraw/zinc/86/48/79/280864879.db2.gz XSVUZZMRYJVIBZ-CQSZACIVSA-N 1 0 289.379 2.872 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000536958027 330383667 /nfs/dbraw/zinc/38/36/67/330383667.db2.gz HERDMCXUNNBOTE-GFCCVEGCSA-N 1 0 294.351 2.963 10 5 CFBERO CCC[NH2+]CCCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441960 519913409 /nfs/dbraw/zinc/91/34/09/519913409.db2.gz NODRUNJNBLWYEI-UHFFFAOYSA-N 1 0 266.341 2.980 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC1 ZINC000050814585 520328276 /nfs/dbraw/zinc/32/82/76/520328276.db2.gz QDKMTFWXBDLHLR-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO CCC(CC)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813939 521543576 /nfs/dbraw/zinc/54/35/76/521543576.db2.gz JNGAEYQYDGZZSU-UHFFFAOYSA-N 1 0 251.330 2.797 10 5 CFBERO CC(C)[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000050615944 519729161 /nfs/dbraw/zinc/72/91/61/519729161.db2.gz IJNQXLCUBATIOL-UHFFFAOYSA-N 1 0 296.714 2.796 10 5 CFBERO CC(C)[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814056 519791206 /nfs/dbraw/zinc/79/12/06/519791206.db2.gz SXXHQIWPUAZZRG-SNVBAGLBSA-N 1 0 251.330 2.653 10 5 CFBERO CC(C)[C@H](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000061686084 519816692 /nfs/dbraw/zinc/81/66/92/519816692.db2.gz FISAJMROKPSLJK-CABZTGNLSA-N 1 0 254.305 2.896 10 5 CFBERO CC[NH2+]CC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000157591462 519914606 /nfs/dbraw/zinc/91/46/06/519914606.db2.gz PZNJNXLIASIRDW-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000050517117 519951869 /nfs/dbraw/zinc/95/18/69/519951869.db2.gz UGDRMENAOYNGIB-UHFFFAOYSA-N 1 0 274.267 2.738 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2C)o1 ZINC000050618747 520082650 /nfs/dbraw/zinc/08/26/50/520082650.db2.gz YROANQUIIJDSJQ-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CCCCOCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC ZINC000049261562 520793599 /nfs/dbraw/zinc/79/35/99/520793599.db2.gz PFHBBZLDOIJYAB-UHFFFAOYSA-N 1 0 296.367 2.900 10 5 CFBERO CCC(O)(CC)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000087013945 521657498 /nfs/dbraw/zinc/65/74/98/521657498.db2.gz YKHWKRBRAPHYMV-NSHDSACASA-N 1 0 266.341 2.797 10 5 CFBERO C[NH2+]Cc1ccc(OCCOCCC(C)C)c([N+](=O)[O-])c1 ZINC000049264924 522123416 /nfs/dbraw/zinc/12/34/16/522123416.db2.gz HQBAFQCPAJCHNW-UHFFFAOYSA-N 1 0 296.367 2.756 10 5 CFBERO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000048068882 522467696 /nfs/dbraw/zinc/46/76/96/522467696.db2.gz RWFPKBQBXQHRQF-UHFFFAOYSA-N 1 0 288.303 2.599 10 5 CFBERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048770785 522491203 /nfs/dbraw/zinc/49/12/03/522491203.db2.gz DQOCAZRLCWWOEQ-OLZOCXBDSA-N 1 0 278.352 2.924 10 5 CFBERO CNc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815066 522605945 /nfs/dbraw/zinc/60/59/45/522605945.db2.gz PZCSFKQEZNDMCA-CYBMUJFWSA-N 1 0 293.367 2.637 10 5 CFBERO CNc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000050813792 522607301 /nfs/dbraw/zinc/60/73/01/522607301.db2.gz LSLGMNYINNVWLW-JTQLQIEISA-N 1 0 263.341 2.867 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1cccc(C[NH3+])c1 ZINC000069331188 522985568 /nfs/dbraw/zinc/98/55/68/522985568.db2.gz NBAPKNNHJNZBSX-UHFFFAOYSA-N 1 0 274.276 2.854 10 5 CFBERO C[N@H+](Cc1cccc(F)c1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812426 523310135 /nfs/dbraw/zinc/31/01/35/523310135.db2.gz CUULAWAFYGIMNN-UHFFFAOYSA-N 1 0 289.310 2.948 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CCNCc1ccccc1[N+](=O)[O-] ZINC000052206279 523798540 /nfs/dbraw/zinc/79/85/40/523798540.db2.gz XTQDEFHPHRLCRP-AWEZNQCLSA-N 1 0 277.368 2.559 10 5 CFBERO CC[C@H](C)C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813213 523869443 /nfs/dbraw/zinc/86/94/43/523869443.db2.gz DMIMWUYEFHPSDU-JTQLQIEISA-N 1 0 251.330 2.655 10 5 CFBERO COc1ccc(C[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000061686213 524143650 /nfs/dbraw/zinc/14/36/50/524143650.db2.gz YNOKIYPJUKJZFG-ZYHUDNBSSA-N 1 0 266.341 2.765 10 5 CFBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000311733990 524481357 /nfs/dbraw/zinc/48/13/57/524481357.db2.gz RNRBVJJOZPSGDR-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000336813111 524481523 /nfs/dbraw/zinc/48/15/23/524481523.db2.gz BQXCOOIBAFCIHI-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](C[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000049502098 524608238 /nfs/dbraw/zinc/60/82/38/524608238.db2.gz ASARDABOJXXWNB-LBPRGKRZSA-N 1 0 263.341 2.881 10 5 CFBERO COc1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000049575288 524676662 /nfs/dbraw/zinc/67/66/62/524676662.db2.gz UTBUXXUXAWKCBN-UHFFFAOYSA-N 1 0 279.340 2.501 10 5 CFBERO COc1ccc(N[C@@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049218794 524703696 /nfs/dbraw/zinc/70/36/96/524703696.db2.gz MSZMYZPBTIDWQI-ZDUSSCGKSA-N 1 0 281.356 2.602 10 5 CFBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000261575118 525003834 /nfs/dbraw/zinc/00/38/34/525003834.db2.gz JPBWVYPSBJQXMV-RNFRBKRXSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1ccc(N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000061700999 525317444 /nfs/dbraw/zinc/31/74/44/525317444.db2.gz LTOAAHZJMKYVJX-LLVKDONJSA-N 1 0 251.330 2.655 10 5 CFBERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000245453918 525637938 /nfs/dbraw/zinc/63/79/38/525637938.db2.gz GIDIVGGDZKMHPU-MZPVMMEZSA-N 1 0 298.342 2.904 10 5 CFBERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814428 525642850 /nfs/dbraw/zinc/64/28/50/525642850.db2.gz ZVBMXQNKWWEVMM-WDEREUQCSA-N 1 0 263.341 2.797 10 5 CFBERO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050164085 525718228 /nfs/dbraw/zinc/71/82/28/525718228.db2.gz VTTJFBLKCQTLQA-NXEZZACHSA-N 1 0 267.304 2.534 10 5 CFBERO COc1cccc(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000262443431 526210142 /nfs/dbraw/zinc/21/01/42/526210142.db2.gz HAGLKBVUPCTDCG-UHFFFAOYSA-N 1 0 299.330 2.819 10 5 CFBERO [NH2+]=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000052047356 526827191 /nfs/dbraw/zinc/82/71/91/526827191.db2.gz BCCTURWALJDNED-UHFFFAOYSA-N 1 0 270.292 2.731 10 5 CFBERO Cc1nc2cc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])cc2s1 ZINC000063171692 527129313 /nfs/dbraw/zinc/12/93/13/527129313.db2.gz VKVGUKNTWGZQNG-SSDOTTSWSA-N 1 0 280.353 2.662 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1 ZINC000050516612 527257337 /nfs/dbraw/zinc/25/73/37/527257337.db2.gz SLLNKFFFOLQRMR-UHFFFAOYSA-N 1 0 276.267 2.772 10 5 CFBERO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051787526 527352913 /nfs/dbraw/zinc/35/29/13/527352913.db2.gz IVMNAZBKGLOVNN-NSHDSACASA-N 1 0 270.716 2.517 10 5 CFBERO CCOc1cc(NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000111045296 528322684 /nfs/dbraw/zinc/32/26/84/528322684.db2.gz VGPDIAOTBXADSB-UHFFFAOYSA-N 1 0 279.340 2.675 10 5 CFBERO C[NH2+]CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234371277 617739579 /nfs/dbraw/zinc/73/95/79/617739579.db2.gz NWCSAMXERSSYRV-UHFFFAOYSA-N 1 0 278.139 2.557 10 5 CFBERO CC[C@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757176010 617869986 /nfs/dbraw/zinc/86/99/86/617869986.db2.gz SLGSCULLRDBCDL-APPZFPTMSA-N 1 0 287.113 2.528 10 5 CFBERO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163716 618080986 /nfs/dbraw/zinc/08/09/86/618080986.db2.gz FTUPDVGNWHZHEV-ZJUUUORDSA-N 1 0 267.304 2.534 10 5 CFBERO [NH3+][C@@H]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093211858 618386617 /nfs/dbraw/zinc/38/66/17/618386617.db2.gz CYVDZRTXDOJADF-ZJUUUORDSA-N 1 0 269.732 2.930 10 5 CFBERO Cc1cc(N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000235833158 618447479 /nfs/dbraw/zinc/44/74/79/618447479.db2.gz QLGNPPKZJXSSJU-ZDUSSCGKSA-N 1 0 263.341 2.833 10 5 CFBERO [NH3+]C1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000236206079 618610642 /nfs/dbraw/zinc/61/06/42/618610642.db2.gz PKXUPCDGEDFZSX-UHFFFAOYSA-N 1 0 269.732 2.930 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CCCO ZINC000093097808 618979213 /nfs/dbraw/zinc/97/92/13/618979213.db2.gz DXWDZCXOUIUSLL-ZDUSSCGKSA-N 1 0 298.770 2.985 10 5 CFBERO C[NH2+][C@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000261548836 619170188 /nfs/dbraw/zinc/17/01/88/619170188.db2.gz JVHCCTVQFHJVSD-ZCFIWIBFSA-N 1 0 278.139 2.921 10 5 CFBERO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000261570872 619171262 /nfs/dbraw/zinc/17/12/62/619171262.db2.gz PPHFCUZDVRULOO-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231668220 623362644 /nfs/dbraw/zinc/36/26/44/623362644.db2.gz NNKYSYVYZVYXOC-CYBMUJFWSA-N 1 0 297.786 2.822 10 5 CFBERO CC[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252697618 651017499 /nfs/dbraw/zinc/01/74/99/651017499.db2.gz ILCGZWYYXVQTGG-GXSJLCMTSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N(C)CC[C@H]([NH3+])C(C)C ZINC000133639827 646198986 /nfs/dbraw/zinc/19/89/86/646198986.db2.gz MWEYVOMHFIZTSW-ZDUSSCGKSA-N 1 0 265.357 2.713 10 5 CFBERO CC[N+](C)(CC)c1ccc(OC(=O)NC)cc1C ZINC000005688321 717101085 /nfs/dbraw/zinc/10/10/85/717101085.db2.gz IXYWAORQSZJTLW-UHFFFAOYSA-O 1 0 251.350 2.690 10 5 CFBERO CC(C)OP(=O)(OCC[N+](C)(C)C)OC(C)C ZINC000002035979 717093718 /nfs/dbraw/zinc/09/37/18/717093718.db2.gz HCJHXQJUBHFXPL-UHFFFAOYSA-N 1 0 268.314 2.667 10 5 CFBERO CCC[C@@H]([NH2+]C1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103329 349582370 /nfs/dbraw/zinc/58/23/70/349582370.db2.gz LLCSLZBSKYHIMS-ABIUDSBCSA-N 1 0 278.352 2.797 10 5 CFBERO C/[NH+]=c1/ccc2nc3ccc(N(C)C)cc3sc-2c1 ZINC000034263473 346315915 /nfs/dbraw/zinc/31/59/15/346315915.db2.gz KKGWEPLBCABCDN-YBEGLDIGSA-N 1 0 269.373 2.998 10 5 CFBERO O=[N+]([O-])c1ccc([C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000088259791 347500574 /nfs/dbraw/zinc/50/05/74/347500574.db2.gz NXBCMJNQBALDET-AWEZNQCLSA-N 1 0 283.331 2.979 10 5 CFBERO CC[NH+](CC)CCn1ccc2cc([N+](=O)[O-])ccc21 ZINC000128515151 347851741 /nfs/dbraw/zinc/85/17/41/347851741.db2.gz LRZUVNLODBRWLY-UHFFFAOYSA-N 1 0 261.325 2.891 10 5 CFBERO C[C@@]1([NH3+])CC=C(c2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000725271805 539628728 /nfs/dbraw/zinc/62/87/28/539628728.db2.gz CNZNFSBJJPHVRV-CQSZACIVSA-N 1 0 260.293 2.692 10 5 CFBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313129874 348421810 /nfs/dbraw/zinc/42/18/10/348421810.db2.gz QDALYLOCJXCXIF-ZYHUDNBSSA-N 1 0 281.331 2.606 10 5 CFBERO Cc1ccc(NCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000593232651 349232115 /nfs/dbraw/zinc/23/21/15/349232115.db2.gz ADTACOOGIOPZQM-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCCC1CC[NH2+]CC1 ZINC000593233822 349232475 /nfs/dbraw/zinc/23/24/75/349232475.db2.gz WJOZDJHELOJELD-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CCOc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051293 186348597 /nfs/dbraw/zinc/34/85/97/186348597.db2.gz TUUISKCFQDYASL-RYUDHWBXSA-N 1 0 293.367 2.794 10 5 CFBERO CCC([NH3+])(CC)CNc1cccc(F)c1[N+](=O)[O-] ZINC000130061469 187468047 /nfs/dbraw/zinc/46/80/47/187468047.db2.gz KRNOFKGRWDPXNC-UHFFFAOYSA-N 1 0 255.293 2.663 10 5 CFBERO CC[C@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123295806 187083129 /nfs/dbraw/zinc/08/31/29/187083129.db2.gz UTROMNQGMQWSPY-ZDUSSCGKSA-N 1 0 286.759 2.841 10 5 CFBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000301819635 201215728 /nfs/dbraw/zinc/21/57/28/201215728.db2.gz FZUIYUISTGLSLR-ZDUSSCGKSA-N 1 0 292.383 2.831 10 5 CFBERO COc1cc(NC[C@@]2(C)CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227861088 189788607 /nfs/dbraw/zinc/78/86/07/189788607.db2.gz QRLBVZADUZLAOL-AWEZNQCLSA-N 1 0 297.330 2.544 10 5 CFBERO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000235539159 189828467 /nfs/dbraw/zinc/82/84/67/189828467.db2.gz LSEVBSWOPJPVBC-IUCAKERBSA-N 1 0 285.294 2.673 10 5 CFBERO Cc1cc(N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000235852620 189831255 /nfs/dbraw/zinc/83/12/55/189831255.db2.gz QLGNPPKZJXSSJU-CYBMUJFWSA-N 1 0 263.341 2.833 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000070463609 374183148 /nfs/dbraw/zinc/18/31/48/374183148.db2.gz BYHIXRNZMIQIQB-LBPRGKRZSA-N 1 0 274.324 2.538 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093211864 375195869 /nfs/dbraw/zinc/19/58/69/375195869.db2.gz QUTQKLSDWUTTBE-RKDXNWHRSA-N 1 0 269.732 2.930 10 5 CFBERO Cc1ccc(N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000111830515 375872016 /nfs/dbraw/zinc/87/20/16/375872016.db2.gz PDCALMRNRCLHSN-NSHDSACASA-N 1 0 251.330 2.689 10 5 CFBERO Cc1c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113270267 376004234 /nfs/dbraw/zinc/00/42/34/376004234.db2.gz KFSWXXVUYNZDDD-WFASDCNBSA-N 1 0 289.379 2.572 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cccc(OC)c1[N+](=O)[O-] ZINC000135058171 378078333 /nfs/dbraw/zinc/07/83/33/378078333.db2.gz UNPFCLUMMISNDC-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000158933377 378676939 /nfs/dbraw/zinc/67/69/39/378676939.db2.gz FFVIGHHLKAIHPT-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1cc(N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000336792316 380639247 /nfs/dbraw/zinc/63/92/47/380639247.db2.gz RMRSGOZLSLELRW-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO CCCCNC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181535813 380819099 /nfs/dbraw/zinc/81/90/99/380819099.db2.gz BBLBUKYAGNUREN-AWEZNQCLSA-N 1 0 293.367 2.552 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C(C)C)CC1 ZINC000293140810 382003406 /nfs/dbraw/zinc/00/34/06/382003406.db2.gz UDBVMVXBYFXYND-UHFFFAOYSA-N 1 0 264.325 2.882 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000043401780 184557270 /nfs/dbraw/zinc/55/72/70/184557270.db2.gz JSQJHAGZIZABGE-UHFFFAOYSA-N 1 0 288.332 2.733 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382472531 382530063 /nfs/dbraw/zinc/53/00/63/382530063.db2.gz QUJFQYMXDVBTRD-RKDXNWHRSA-N 1 0 269.732 2.930 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358412184 382604228 /nfs/dbraw/zinc/60/42/28/382604228.db2.gz YNJLXDOBADKVIH-TUKIKUTGSA-N 1 0 277.368 2.586 10 5 CFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000192506817 382709574 /nfs/dbraw/zinc/70/95/74/382709574.db2.gz QECLUCPRFMYSJT-SNVBAGLBSA-N 1 0 284.385 2.584 10 5 CFBERO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000336839243 382730656 /nfs/dbraw/zinc/73/06/56/382730656.db2.gz OJZGZTZOEIKRIK-SNVBAGLBSA-N 1 0 281.331 2.606 10 5 CFBERO C[C@]1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000235736543 382886773 /nfs/dbraw/zinc/88/67/73/382886773.db2.gz KYWPIDMLXRRHDO-ZDUSSCGKSA-N 1 0 285.294 2.675 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000236203561 382892682 /nfs/dbraw/zinc/89/26/82/382892682.db2.gz ZKRFRMUOUIDJDG-PELKAZGASA-N 1 0 285.294 2.802 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000245444651 383001025 /nfs/dbraw/zinc/00/10/25/383001025.db2.gz YGAPWJKXRAOSPT-HOCLYGCPSA-N 1 0 289.379 2.653 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000111830305 393887795 /nfs/dbraw/zinc/88/77/95/393887795.db2.gz KRZNPEATIABQFO-GFCCVEGCSA-N 1 0 288.351 2.928 10 5 CFBERO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccccc1 ZINC000031601675 171640589 /nfs/dbraw/zinc/64/05/89/171640589.db2.gz DJEFWEWOFVLRPW-UHFFFAOYSA-N 1 0 256.305 2.927 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]CC2CC2)ccc1Br ZINC000035258322 172090270 /nfs/dbraw/zinc/09/02/70/172090270.db2.gz PYBCGMNIMQYAOC-UHFFFAOYSA-N 1 0 285.141 2.857 10 5 CFBERO CC[C@@H](CC(N)=[NH2+])Sc1ccc([N+](=O)[O-])cc1 ZINC000035286571 172104319 /nfs/dbraw/zinc/10/43/19/172104319.db2.gz OXOXLHAUDBQTLW-VIFPVBQESA-N 1 0 253.327 2.792 10 5 CFBERO CC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035545233 172253858 /nfs/dbraw/zinc/25/38/58/172253858.db2.gz SRRBYKGQZIUFQS-LLVKDONJSA-N 1 0 252.295 2.948 10 5 CFBERO C[NH+](C)CCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000035635817 172320482 /nfs/dbraw/zinc/32/04/82/172320482.db2.gz QGSDMQUGOZQNDV-UHFFFAOYSA-N 1 0 292.257 2.944 10 5 CFBERO C=COCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177156 173010714 /nfs/dbraw/zinc/01/07/14/173010714.db2.gz FUOOCGXCUPJBBL-LLVKDONJSA-N 1 0 250.298 2.796 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)cc2)o1 ZINC000037195965 173024290 /nfs/dbraw/zinc/02/42/90/173024290.db2.gz SMKBGERWZYXSMG-UHFFFAOYSA-N 1 0 264.256 2.659 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080378 174089799 /nfs/dbraw/zinc/08/97/99/174089799.db2.gz AENOWPDCYCACSL-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO [NH3+]Cc1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000038080689 174090623 /nfs/dbraw/zinc/09/06/23/174090623.db2.gz ZFIATJNZSOAUIU-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO COc1ccccc1[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000038128907 174131668 /nfs/dbraw/zinc/13/16/68/174131668.db2.gz AZJSIWXHBSBGMR-CQSZACIVSA-N 1 0 272.304 2.846 10 5 CFBERO C[N@@H+]1CCC[C@@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240550 174213399 /nfs/dbraw/zinc/21/33/99/174213399.db2.gz OBOZZSGUEOMRJQ-SECBINFHSA-N 1 0 285.731 2.506 10 5 CFBERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040502554 174299023 /nfs/dbraw/zinc/29/90/23/174299023.db2.gz ODKCITUNWCCQMA-GXTWGEPZSA-N 1 0 277.368 2.730 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CNc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040623948 174356053 /nfs/dbraw/zinc/35/60/53/174356053.db2.gz DAOLVBOKTDCBGL-NSHDSACASA-N 1 0 281.331 2.876 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673559 174372157 /nfs/dbraw/zinc/37/21/57/174372157.db2.gz BXEDDOVPPVJNFU-JTQLQIEISA-N 1 0 269.732 2.754 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000040673596 174372270 /nfs/dbraw/zinc/37/22/70/174372270.db2.gz OOKFSNISHQYGEQ-LLVKDONJSA-N 1 0 286.335 2.649 10 5 CFBERO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000040746434 174391408 /nfs/dbraw/zinc/39/14/08/174391408.db2.gz BCFYQHCGGKBOLT-FOSCPWQOSA-N 1 0 261.325 2.598 10 5 CFBERO C[NH2+][C@@H]1CCC[C@H]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042398618 174709684 /nfs/dbraw/zinc/70/96/84/174709684.db2.gz PNMNMDXJSKWSMH-JOYOIKCWSA-N 1 0 252.289 2.665 10 5 CFBERO [NH3+]Cc1ccc(OCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000043458624 175050474 /nfs/dbraw/zinc/05/04/74/175050474.db2.gz YYZCVLWMLVALRQ-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO O=[N+]([O-])c1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043471733 175053853 /nfs/dbraw/zinc/05/38/53/175053853.db2.gz HBAJUWCNEVQLPP-SNVBAGLBSA-N 1 0 252.339 2.687 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCCC[NH2+]1 ZINC000043499245 175058296 /nfs/dbraw/zinc/05/82/96/175058296.db2.gz GQTUFGJGXUEBJB-NSHDSACASA-N 1 0 280.324 2.514 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c2cccnc21 ZINC000044503122 175186294 /nfs/dbraw/zinc/18/62/94/175186294.db2.gz JZTYYJQGEMHXEC-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535617 175199064 /nfs/dbraw/zinc/19/90/64/175199064.db2.gz RWVBWAMRSMDFPK-OLZOCXBDSA-N 1 0 277.368 2.587 10 5 CFBERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561402 175205068 /nfs/dbraw/zinc/20/50/68/175205068.db2.gz LYPSBBKAOKWDIU-IUODEOHRSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561532 175205309 /nfs/dbraw/zinc/20/53/09/175205309.db2.gz SUVMMSBHPAYUCI-IUODEOHRSA-N 1 0 277.368 2.730 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565912 175208316 /nfs/dbraw/zinc/20/83/16/175208316.db2.gz ONQJRSWPSJGOMV-SECBINFHSA-N 1 0 284.747 2.539 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)o1 ZINC000044675413 175227191 /nfs/dbraw/zinc/22/71/91/175227191.db2.gz CVICXRZDJUAEHZ-QWHCGFSZSA-N 1 0 258.277 2.834 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000070463608 175944150 /nfs/dbraw/zinc/94/41/50/175944150.db2.gz BYHIXRNZMIQIQB-GFCCVEGCSA-N 1 0 274.324 2.538 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]CCCCCO)ccc1Cl ZINC000075436898 176708699 /nfs/dbraw/zinc/70/86/99/176708699.db2.gz BJBWGKYYGCJAEM-UHFFFAOYSA-N 1 0 272.732 2.500 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)CCCC[NH3+] ZINC000310722613 292586711 /nfs/dbraw/zinc/58/67/11/292586711.db2.gz AZEJMUBQFIJCAO-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680206 270289293 /nfs/dbraw/zinc/28/92/93/270289293.db2.gz CXOZNVLORAMFPM-LLVKDONJSA-N 1 0 281.331 2.939 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1N1CC[NH+](C(C)(C)C)CC1 ZINC000095829852 274118835 /nfs/dbraw/zinc/11/88/35/274118835.db2.gz DHRZDWFUDYCPGZ-UHFFFAOYSA-N 1 0 293.367 2.524 10 5 CFBERO C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163937975 274304368 /nfs/dbraw/zinc/30/43/68/274304368.db2.gz STIQLGXHGFJAAW-ZJUUUORDSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000229601901 274632391 /nfs/dbraw/zinc/63/23/91/274632391.db2.gz KZSYKYLHBFSGKF-ZYHUDNBSSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000123535344 274948957 /nfs/dbraw/zinc/94/89/57/274948957.db2.gz ZZNPRKYGOYNCSL-VIFPVBQESA-N 1 0 289.257 2.541 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000038050924 274955979 /nfs/dbraw/zinc/95/59/79/274955979.db2.gz VMUGVMKDACVUGR-TZMCWYRMSA-N 1 0 286.335 2.825 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235302861 279033534 /nfs/dbraw/zinc/03/35/34/279033534.db2.gz PYBMCSQZLAZTNG-WPRPVWTQSA-N 1 0 269.732 2.801 10 5 CFBERO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382474579 324429012 /nfs/dbraw/zinc/42/90/12/324429012.db2.gz RWEMSGSNKLCERY-UWVGGRQHSA-N 1 0 267.304 2.724 10 5 CFBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382494134 324429822 /nfs/dbraw/zinc/42/98/22/324429822.db2.gz IUOXWBMFWUUNGB-BDAKNGLRSA-N 1 0 269.732 2.788 10 5 CFBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000050517206 519727247 /nfs/dbraw/zinc/72/72/47/519727247.db2.gz GGYNNATWGPHQAW-UHFFFAOYSA-N 1 0 252.314 2.880 10 5 CFBERO CC[NH2+]CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440443 519924563 /nfs/dbraw/zinc/92/45/63/519924563.db2.gz FYEAJCXAPQCNBS-UHFFFAOYSA-N 1 0 279.123 2.890 10 5 CFBERO CCCC[N@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812312 520479512 /nfs/dbraw/zinc/47/95/12/520479512.db2.gz QTUUBOUMIWYOLS-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO CC[NH+](CC)C[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000045704753 520720279 /nfs/dbraw/zinc/72/02/79/520720279.db2.gz KHHSTSFULLGCSD-LLVKDONJSA-N 1 0 283.347 2.554 10 5 CFBERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067224167 519223344 /nfs/dbraw/zinc/22/33/44/519223344.db2.gz HHOTUIFVBWOTRZ-NSHDSACASA-N 1 0 286.759 2.745 10 5 CFBERO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1Br ZINC000168407841 519302262 /nfs/dbraw/zinc/30/22/62/519302262.db2.gz AVLWCZFQWOMCRO-UHFFFAOYSA-N 1 0 288.145 2.507 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000050618774 520181338 /nfs/dbraw/zinc/18/13/38/520181338.db2.gz GMCNGJCCPDULMT-SSDOTTSWSA-N 1 0 296.714 2.969 10 5 CFBERO CCNc1ccc(C[N@H+](CC)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050814979 520299203 /nfs/dbraw/zinc/29/92/03/520299203.db2.gz ZMXPLMBRHUDOED-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO CCOc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070178349 520750829 /nfs/dbraw/zinc/75/08/29/520750829.db2.gz XNXHJHFYQCMDSE-FZMZJTMJSA-N 1 0 293.367 2.557 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000130531253 521049827 /nfs/dbraw/zinc/04/98/27/521049827.db2.gz KBFPQCNCBPCVRO-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000130531467 521192836 /nfs/dbraw/zinc/19/28/36/521192836.db2.gz KBFPQCNCBPCVRO-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO CCOc1cccc(N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000312450605 521400552 /nfs/dbraw/zinc/40/05/52/521400552.db2.gz DEINAMBFBZPTCT-LLVKDONJSA-N 1 0 281.356 2.923 10 5 CFBERO CCC(CC)(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053070398 521458249 /nfs/dbraw/zinc/45/82/49/521458249.db2.gz UJNXFXBAGVKSRI-UHFFFAOYSA-N 1 0 286.759 2.889 10 5 CFBERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439835 521837860 /nfs/dbraw/zinc/83/78/60/521837860.db2.gz UQCFLHYWOUAUGJ-ISVAXAHUSA-N 1 0 279.340 2.524 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSCC1 ZINC000050817859 522645350 /nfs/dbraw/zinc/64/53/50/522645350.db2.gz IKBMYFIRERSXML-UHFFFAOYSA-N 1 0 281.381 2.575 10 5 CFBERO CC[C@@H]1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050813833 523252431 /nfs/dbraw/zinc/25/24/31/523252431.db2.gz HSAUVSYSCSRKEE-LLVKDONJSA-N 1 0 263.341 2.799 10 5 CFBERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150101 524319901 /nfs/dbraw/zinc/31/99/01/524319901.db2.gz LFRPYRSYAPIPJF-CHWSQXEVSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688112 524951915 /nfs/dbraw/zinc/95/19/15/524951915.db2.gz BOVNFEIUAONIJK-GFCCVEGCSA-N 1 0 296.392 2.801 10 5 CFBERO Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000050944546 525037215 /nfs/dbraw/zinc/03/72/15/525037215.db2.gz BGLAHGIZRQITJQ-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1cc(NC(=O)C2([NH3+])CCCCC2)c([N+](=O)[O-])cc1C ZINC000050439827 525114641 /nfs/dbraw/zinc/11/46/41/525114641.db2.gz GKDQIRLUGWAGLQ-UHFFFAOYSA-N 1 0 291.351 2.812 10 5 CFBERO Cc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000054241779 525280806 /nfs/dbraw/zinc/28/08/06/525280806.db2.gz PFQMGBGHDPCIBX-LBPRGKRZSA-N 1 0 263.341 2.657 10 5 CFBERO Cc1cc(N[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1C ZINC000050439417 525298305 /nfs/dbraw/zinc/29/83/05/525298305.db2.gz SFZJXVMQWRVRPD-CQSZACIVSA-N 1 0 275.352 2.718 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050944588 525565550 /nfs/dbraw/zinc/56/55/50/525565550.db2.gz XINBILDDQBOARZ-UHFFFAOYSA-N 1 0 291.351 2.622 10 5 CFBERO Cc1c(C[NH2+][C@@H](CN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000049204913 525727467 /nfs/dbraw/zinc/72/74/67/525727467.db2.gz RUAUBKCACXSNRR-AWEZNQCLSA-N 1 0 279.384 2.579 10 5 CFBERO Cc1c(NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000062723664 525867401 /nfs/dbraw/zinc/86/74/01/525867401.db2.gz BHEUKZBBGFAHHA-UHFFFAOYSA-N 1 0 265.357 2.903 10 5 CFBERO [NH3+]C1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000055144175 527142030 /nfs/dbraw/zinc/14/20/30/527142030.db2.gz OSLBYUYHMAPVSJ-UHFFFAOYSA-N 1 0 270.716 2.897 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000261564949 527210306 /nfs/dbraw/zinc/21/03/06/527210306.db2.gz DVCFGMFJAZLUSX-GZMMTYOYSA-N 1 0 284.747 2.573 10 5 CFBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1F ZINC000050872049 527250026 /nfs/dbraw/zinc/25/00/26/527250026.db2.gz WQBKPXUHRMTWFC-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccccc2F)c1 ZINC000050516593 527258712 /nfs/dbraw/zinc/25/87/12/527258712.db2.gz SCIDQSZLNIEOGI-UHFFFAOYSA-N 1 0 276.267 2.772 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccsc2)c1 ZINC000050516240 527259188 /nfs/dbraw/zinc/25/91/88/527259188.db2.gz YUMIDSORUKKURJ-UHFFFAOYSA-N 1 0 264.306 2.694 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1OC[C@H]1CCCC[NH2+]1 ZINC000051883378 527323564 /nfs/dbraw/zinc/32/35/64/527323564.db2.gz BWEPTGQQMIVWQA-SECBINFHSA-N 1 0 293.348 2.725 10 5 CFBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000182150361 527348540 /nfs/dbraw/zinc/34/85/40/527348540.db2.gz IWRKSKKUZBQMRP-CYBMUJFWSA-N 1 0 295.770 2.528 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CCCC[NH2+]1 ZINC000051609533 527355102 /nfs/dbraw/zinc/35/51/02/527355102.db2.gz SCDHECKXVGYJQR-SNVBAGLBSA-N 1 0 270.716 2.769 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CCC[NH2+]C1 ZINC000168324231 527355262 /nfs/dbraw/zinc/35/52/62/527355262.db2.gz UHWWFKWUQOHWQM-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163713 618056844 /nfs/dbraw/zinc/05/68/44/618056844.db2.gz FTUPDVGNWHZHEV-VHSXEESVSA-N 1 0 267.304 2.534 10 5 CFBERO C[NH2+][C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000234465788 618184531 /nfs/dbraw/zinc/18/45/31/618184531.db2.gz HKDRROOQUIMQDZ-SSDOTTSWSA-N 1 0 290.150 2.700 10 5 CFBERO [NH3+]CCC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070188665 618208296 /nfs/dbraw/zinc/20/82/96/618208296.db2.gz DKYAGXFMKGDOLE-UHFFFAOYSA-N 1 0 283.759 2.813 10 5 CFBERO [NH3+]C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000236169507 618607692 /nfs/dbraw/zinc/60/76/92/618607692.db2.gz NACDTOVEGOSVIQ-GFCCVEGCSA-N 1 0 267.304 2.663 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1NCC[C@@H]1CCC[NH2+]C1 ZINC000261596347 619174270 /nfs/dbraw/zinc/17/42/70/619174270.db2.gz ONWUNFBOYDROEO-JTQLQIEISA-N 1 0 267.304 2.536 10 5 CFBERO O=[N+]([O-])c1ccccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261804572 619277442 /nfs/dbraw/zinc/27/74/42/619277442.db2.gz ZDOLLEQHFUVEFM-OAHLLOKOSA-N 1 0 283.331 2.894 10 5 CFBERO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231458619 623347575 /nfs/dbraw/zinc/34/75/75/623347575.db2.gz FUNXWCXLKCDEOR-LBPRGKRZSA-N 1 0 297.786 2.822 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000175352137 624949235 /nfs/dbraw/zinc/94/92/35/624949235.db2.gz FTOWHMUJWMVHPL-AWEZNQCLSA-N 1 0 295.358 2.650 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070175023 625278964 /nfs/dbraw/zinc/27/89/64/625278964.db2.gz SKXDCLAZULMWRU-VHSXEESVSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000110651418 634769216 /nfs/dbraw/zinc/76/92/16/634769216.db2.gz JXLYRVIBMXRWKB-SECBINFHSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]CC[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125208446 642554875 /nfs/dbraw/zinc/55/48/75/642554875.db2.gz LHSIHWVGDYDQJH-JTQLQIEISA-N 1 0 283.759 2.813 10 5 CFBERO Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108795 650827670 /nfs/dbraw/zinc/82/76/70/650827670.db2.gz IZAUPQMRHOYXOQ-NWDGAFQWSA-N 1 0 263.341 2.833 10 5 CFBERO CCOc1cc(NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000129433730 645193151 /nfs/dbraw/zinc/19/31/51/645193151.db2.gz DRPNFWGHZQGFEE-UHFFFAOYSA-N 1 0 293.367 2.795 10 5 CFBERO CC[NH2+]CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000130015000 645441872 /nfs/dbraw/zinc/44/18/72/645441872.db2.gz VQTCPLPLUIWUIV-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000253187934 651039705 /nfs/dbraw/zinc/03/97/05/651039705.db2.gz JNEGPDJJXTWPMU-NXEZZACHSA-N 1 0 283.759 2.669 10 5 CFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000133707817 646210661 /nfs/dbraw/zinc/21/06/61/646210661.db2.gz NLEFRMSCKYNVGR-UHFFFAOYSA-N 1 0 293.342 2.702 10 5 CFBERO C[N+]1([C@@H]2CCCC[C@@H]2O)CC[C@@H](c2ccccc2)C1 ZINC000059181989 717131402 /nfs/dbraw/zinc/13/14/02/717131402.db2.gz XMBGLPYOSQHNFQ-HRBLRVMOSA-N 1 0 260.401 2.924 10 5 CFBERO CC(C)[N+](C)(Cc1cccc(OC(=O)N(C)C)n1)C(C)C ZINC000001844242 717090064 /nfs/dbraw/zinc/09/00/64/717090064.db2.gz HTSLUCGGAZQIOE-UHFFFAOYSA-N 1 0 294.419 2.905 10 5 CFBERO CNC(=O)Oc1ccc([N+](C)(C)C)cc1C(C)C ZINC000001998864 717092201 /nfs/dbraw/zinc/09/22/01/717092201.db2.gz ANTCUUSLXOCHBJ-UHFFFAOYSA-O 1 0 251.350 2.725 10 5 CFBERO Clc1ccc(C[N+]23CCN(CC2)CC3)cc1Cl ZINC000007613148 717105340 /nfs/dbraw/zinc/10/53/40/717105340.db2.gz GLEIEVUMTWRQFA-UHFFFAOYSA-N 1 0 272.199 2.639 10 5 CFBERO C[N+]1(CCC#N)CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033828242 717122036 /nfs/dbraw/zinc/12/20/36/717122036.db2.gz YWZPGMKSNBFNLJ-UHFFFAOYSA-N 1 0 298.332 2.886 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NCC[C@H]1CC[NH2+]C1 ZINC000125203772 187174675 /nfs/dbraw/zinc/17/46/75/187174675.db2.gz AVIPKDMKKJNYLE-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217620606 348165333 /nfs/dbraw/zinc/16/53/33/348165333.db2.gz QQCOPMFDKCWOCL-ZKYQVNSYSA-N 1 0 264.325 2.549 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000320517756 348436806 /nfs/dbraw/zinc/43/68/06/348436806.db2.gz MDSVUSVMIOHXGZ-YUMQZZPRSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320938405 348437518 /nfs/dbraw/zinc/43/75/18/348437518.db2.gz SXFSLAVPDFTFTG-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO COc1ccc2c(c1)[C@H](c1ccc([N+](=O)[O-])cc1)C[NH2+]CC2 ZINC000584617040 348691494 /nfs/dbraw/zinc/69/14/94/348691494.db2.gz OPIBACOIDUYIBM-KRWDZBQOSA-N 1 0 298.342 2.881 10 5 CFBERO CCOc1cc(NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000129301589 187422915 /nfs/dbraw/zinc/42/29/15/187422915.db2.gz HPRPGSASRVUPND-HNNXBMFYSA-N 1 0 293.367 2.795 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCO2)ccc1Cl ZINC000109460956 186253496 /nfs/dbraw/zinc/25/34/96/186253496.db2.gz HSSWLRLNHCTRSM-NSHDSACASA-N 1 0 284.743 2.907 10 5 CFBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000600957860 350637284 /nfs/dbraw/zinc/63/72/84/350637284.db2.gz VVSAWJREBCKDCC-OIBJUYFYSA-N 1 0 289.257 2.776 10 5 CFBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600962247 350637701 /nfs/dbraw/zinc/63/77/01/350637701.db2.gz CHPGWUZHIKQASL-APPZFPTMSA-N 1 0 289.257 2.540 10 5 CFBERO COc1ccc(OC)c2c(N)c3ccccc3[nH+]c12 ZINC000606302075 351260959 /nfs/dbraw/zinc/26/09/59/351260959.db2.gz ACIVFZGSGIGMRC-UHFFFAOYSA-N 1 0 254.289 2.818 10 5 CFBERO CC[C@@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123296012 187082921 /nfs/dbraw/zinc/08/29/21/187082921.db2.gz UTROMNQGMQWSPY-CYBMUJFWSA-N 1 0 286.759 2.841 10 5 CFBERO [NH3+][C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000123741090 187107199 /nfs/dbraw/zinc/10/71/99/187107199.db2.gz YLPNOTIRRFHEGZ-VIFPVBQESA-N 1 0 289.257 2.763 10 5 CFBERO Cc1cnn(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123943879 187115059 /nfs/dbraw/zinc/11/50/59/187115059.db2.gz TWLMVKANGHJRDM-CYBMUJFWSA-N 1 0 288.351 2.759 10 5 CFBERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000123986420 187117590 /nfs/dbraw/zinc/11/75/90/187117590.db2.gz CGZSKDIATWWYQC-HNNXBMFYSA-N 1 0 288.351 2.841 10 5 CFBERO CC[C@@H]([NH2+]Cc1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000157718597 188334301 /nfs/dbraw/zinc/33/43/01/188334301.db2.gz BALLIIRBNCQVTK-OAHLLOKOSA-N 1 0 288.351 2.878 10 5 CFBERO CC[C@@H](NC(=O)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796088 189070159 /nfs/dbraw/zinc/07/01/59/189070159.db2.gz AROGSVYCAVSGEU-CQSZACIVSA-N 1 0 293.367 2.502 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000070447795 374178325 /nfs/dbraw/zinc/17/83/25/374178325.db2.gz WUKUQHMADSFLRD-LBPRGKRZSA-N 1 0 274.324 2.538 10 5 CFBERO CCOC(=O)CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000081545194 374706212 /nfs/dbraw/zinc/70/62/12/374706212.db2.gz OUKFOZPVZIEQQS-AWEZNQCLSA-N 1 0 294.351 2.979 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cccc(OC)c1[N+](=O)[O-] ZINC000135058189 378077742 /nfs/dbraw/zinc/07/77/42/378077742.db2.gz UNPFCLUMMISNDC-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000175047175 379984834 /nfs/dbraw/zinc/98/48/34/379984834.db2.gz UYJXTXGOSWRWFK-QWHCGFSZSA-N 1 0 295.408 2.715 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000175331902 380045118 /nfs/dbraw/zinc/04/51/18/380045118.db2.gz DLLZPJXNDLZNFB-HNNXBMFYSA-N 1 0 277.368 2.511 10 5 CFBERO C[C@H](CC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000336664052 380586273 /nfs/dbraw/zinc/58/62/73/380586273.db2.gz PANYGUVNSOMHHV-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181545978 380823780 /nfs/dbraw/zinc/82/37/80/380823780.db2.gz GCWMRQYNRCPNGE-SMDDNHRTSA-N 1 0 293.367 2.550 10 5 CFBERO CCC[N@@H+]1CCCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301394364 382167294 /nfs/dbraw/zinc/16/72/94/382167294.db2.gz KLJVPVXNBJVYFH-UHFFFAOYSA-N 1 0 277.368 2.825 10 5 CFBERO CC[NH+](CC)[C@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302825576 382329122 /nfs/dbraw/zinc/32/91/22/382329122.db2.gz ZCWJJCHKADJYRO-SNVBAGLBSA-N 1 0 269.320 2.876 10 5 CFBERO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382474578 382530549 /nfs/dbraw/zinc/53/05/49/382530549.db2.gz RWEMSGSNKLCERY-NXEZZACHSA-N 1 0 267.304 2.724 10 5 CFBERO CC[NH2+][C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000387575937 382599767 /nfs/dbraw/zinc/59/97/67/382599767.db2.gz OIZDOHBAOXJOAD-MRVPVSSYSA-N 1 0 257.721 2.658 10 5 CFBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000389723179 382616353 /nfs/dbraw/zinc/61/63/53/382616353.db2.gz INQBFBCSEILMRB-GZMMTYOYSA-N 1 0 269.732 2.658 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000236162398 382892338 /nfs/dbraw/zinc/89/23/38/382892338.db2.gz DVCFGMFJAZLUSX-KWQFWETISA-N 1 0 284.747 2.573 10 5 CFBERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249614244 383353421 /nfs/dbraw/zinc/35/34/21/383353421.db2.gz ODKCITUNWCCQMA-OCCSQVGLSA-N 1 0 277.368 2.730 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201287 285095133 /nfs/dbraw/zinc/09/51/33/285095133.db2.gz BZFREICKWBOYLJ-ZDUSSCGKSA-N 1 0 293.342 2.702 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000183349440 393520247 /nfs/dbraw/zinc/52/02/47/393520247.db2.gz UTKHQMDKBTXVAC-XJKSGUPXSA-N 1 0 289.379 2.572 10 5 CFBERO CC(C)C[C@H](C[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000037563139 393533499 /nfs/dbraw/zinc/53/34/99/393533499.db2.gz CKKMWHZYIYXJHZ-GFCCVEGCSA-N 1 0 285.413 2.722 10 5 CFBERO CC[NH2+][C@H](C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420252350 394105794 /nfs/dbraw/zinc/10/57/94/394105794.db2.gz ZUXLNHBIZHJBKH-SNVBAGLBSA-N 1 0 274.324 2.553 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000044559497 134910083 /nfs/dbraw/zinc/91/00/83/134910083.db2.gz OIFHOXRFKUIXCO-JTQLQIEISA-N 1 0 269.732 2.566 10 5 CFBERO C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163959637 394369200 /nfs/dbraw/zinc/36/92/00/394369200.db2.gz ULXTYARANXYSRM-UWVGGRQHSA-N 1 0 283.759 2.669 10 5 CFBERO CC[C@@H](c1ccccc1OC(=O)NC)[N+](C)(C)C ZINC000005651172 170124035 /nfs/dbraw/zinc/12/40/35/170124035.db2.gz TZRQFBKFDYVLTP-LBPRGKRZSA-O 1 0 251.350 2.562 10 5 CFBERO O=[N+]([O-])c1ccc(OCCC[NH2+]C2CC2)c(Cl)c1 ZINC000020524992 171237584 /nfs/dbraw/zinc/23/75/84/171237584.db2.gz ZQZFHVUPBPSEQY-UHFFFAOYSA-N 1 0 270.716 2.769 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037165461 173000616 /nfs/dbraw/zinc/00/06/16/173000616.db2.gz RWQULQGGMJDZQJ-ZYHUDNBSSA-N 1 0 284.743 2.641 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccs2)o1 ZINC000037211811 173033773 /nfs/dbraw/zinc/03/37/73/173033773.db2.gz NZSXRFAMTJDKMV-UHFFFAOYSA-N 1 0 252.295 2.582 10 5 CFBERO O=C(C[NH2+]C1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386877 173169790 /nfs/dbraw/zinc/16/97/90/173169790.db2.gz VVMFYDQWXSOAHE-UHFFFAOYSA-N 1 0 297.742 2.719 10 5 CFBERO CC[NH2+][C@@H](CC)CCc1cc([N+](=O)[O-])ccc1OC ZINC000037948681 173889607 /nfs/dbraw/zinc/88/96/07/173889607.db2.gz JFMWLDVSYPPUJS-LBPRGKRZSA-N 1 0 266.341 2.924 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050623 174062128 /nfs/dbraw/zinc/06/21/28/174062128.db2.gz BAUNOVMIBMDHAI-UWVGGRQHSA-N 1 0 269.732 2.930 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503204 174300222 /nfs/dbraw/zinc/30/02/22/174300222.db2.gz CNDZADDITVLHJH-LLVKDONJSA-N 1 0 267.304 2.630 10 5 CFBERO CCCCOCC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000040507239 174302688 /nfs/dbraw/zinc/30/26/88/174302688.db2.gz XCQAGTNDXWYQPF-UHFFFAOYSA-N 1 0 270.304 2.640 10 5 CFBERO C[NH+](C)CCCCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000041675614 174601939 /nfs/dbraw/zinc/60/19/39/174601939.db2.gz FXLSHRJDAKNEHL-UHFFFAOYSA-N 1 0 294.380 2.958 10 5 CFBERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000043474019 175054187 /nfs/dbraw/zinc/05/41/87/175054187.db2.gz BUCSQTXMGHITHA-GHMZBOCLSA-N 1 0 281.331 2.876 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCCC[NH2+]1 ZINC000043499254 175058159 /nfs/dbraw/zinc/05/81/59/175058159.db2.gz ZJZJRFLKQRHYBS-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493049 175181047 /nfs/dbraw/zinc/18/10/47/175181047.db2.gz NNIIOXPPSVDFSH-JTQLQIEISA-N 1 0 269.732 2.802 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563308 175206327 /nfs/dbraw/zinc/20/63/27/175206327.db2.gz BMTWSRVVAKNAKC-JTQLQIEISA-N 1 0 267.304 2.630 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000070447882 175939505 /nfs/dbraw/zinc/93/95/05/175939505.db2.gz SWTFLRHAXXIJAN-LLVKDONJSA-N 1 0 274.324 2.538 10 5 CFBERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000079207249 177446073 /nfs/dbraw/zinc/44/60/73/177446073.db2.gz MQWKHAWUZGSRJW-LBPRGKRZSA-N 1 0 293.367 2.997 10 5 CFBERO [NH3+][C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000042289080 274956324 /nfs/dbraw/zinc/95/63/24/274956324.db2.gz WMQRCHGGIGFPAI-SECBINFHSA-N 1 0 289.257 2.541 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043327028 275033197 /nfs/dbraw/zinc/03/31/97/275033197.db2.gz AWDFUECIWAPLMX-VIFPVBQESA-N 1 0 289.257 2.778 10 5 CFBERO CC[NH2+]CC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000130016721 276264507 /nfs/dbraw/zinc/26/45/07/276264507.db2.gz AADZFTRRFYIDCY-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CCOc1cccc(N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000135053997 276380653 /nfs/dbraw/zinc/38/06/53/276380653.db2.gz SDRFXPOALTZTRM-LBPRGKRZSA-N 1 0 293.367 2.559 10 5 CFBERO C[NH2+]C[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000234394021 277275948 /nfs/dbraw/zinc/27/59/48/277275948.db2.gz QHPUFZNCGZJTQX-JTQLQIEISA-N 1 0 283.759 2.684 10 5 CFBERO C[NH2+]C[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040601896 277275957 /nfs/dbraw/zinc/27/59/57/277275957.db2.gz QZISLHDOJVCNCV-JTQLQIEISA-N 1 0 283.759 2.684 10 5 CFBERO CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261564081 278343226 /nfs/dbraw/zinc/34/32/26/278343226.db2.gz CNBUXLMIOYZWTE-LBPRGKRZSA-N 1 0 283.759 2.812 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201474 280353709 /nfs/dbraw/zinc/35/37/09/280353709.db2.gz DEHZBLLNILXCEV-ZDUSSCGKSA-N 1 0 293.342 2.702 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000051995397 290043469 /nfs/dbraw/zinc/04/34/69/290043469.db2.gz QMQHVVCERYEGDL-JKOKRWQUSA-N 1 0 264.325 2.549 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NCCC[NH2+]C(C)C)c1 ZINC000582410805 325202839 /nfs/dbraw/zinc/20/28/39/325202839.db2.gz QXKIJWCATUWIAY-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO [NH3+]CCc1c2cc([N+](=O)[O-])ccc2[nH]c1C(F)(F)F ZINC000536958178 330383757 /nfs/dbraw/zinc/38/37/57/330383757.db2.gz FZKRARNYWGFIGI-UHFFFAOYSA-N 1 0 273.214 2.596 10 5 CFBERO CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])c2cccnc12 ZINC000048784404 518759467 /nfs/dbraw/zinc/75/94/67/518759467.db2.gz IYUFYZVHAXSTGG-UHFFFAOYSA-N 1 0 289.335 2.910 10 5 CFBERO CC(C)C[C@H](C[NH+](C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049555702 519342641 /nfs/dbraw/zinc/34/26/41/519342641.db2.gz ROARNTBNSJXILA-CQSZACIVSA-N 1 0 297.374 2.800 10 5 CFBERO CC(C)[NH2+]Cc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000049258972 519727481 /nfs/dbraw/zinc/72/74/81/519727481.db2.gz TZCQSGGDINDIAK-UHFFFAOYSA-N 1 0 296.367 2.897 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])c1 ZINC000049218532 519794094 /nfs/dbraw/zinc/79/40/94/519794094.db2.gz CSICAXJNOMMBEC-CYBMUJFWSA-N 1 0 251.330 2.593 10 5 CFBERO CCOCCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517312 520038706 /nfs/dbraw/zinc/03/87/06/520038706.db2.gz XLAIDAMUYWBSSD-UHFFFAOYSA-N 1 0 296.367 2.898 10 5 CFBERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000061270493 520168988 /nfs/dbraw/zinc/16/89/88/520168988.db2.gz SVPFHDNUTBXKJI-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000050618994 520183320 /nfs/dbraw/zinc/18/33/20/520183320.db2.gz JOXPYMWSFFIAEN-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CC[NH+](CC)C[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120770 520719343 /nfs/dbraw/zinc/71/93/43/520719343.db2.gz AEQQPLHOOMEMGD-SNVBAGLBSA-N 1 0 269.320 2.876 10 5 CFBERO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CCCC1 ZINC000050813551 521291807 /nfs/dbraw/zinc/29/18/07/521291807.db2.gz WIJKDGNPZHYNOD-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000050812577 521322637 /nfs/dbraw/zinc/32/26/37/521322637.db2.gz QUBQMOGCJTWPBM-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO CC[N@H+](Cc1ccco1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817379 521397676 /nfs/dbraw/zinc/39/76/76/521397676.db2.gz PKKVBKRSKDWELR-UHFFFAOYSA-N 1 0 275.308 2.792 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000311717279 521624660 /nfs/dbraw/zinc/62/46/60/521624660.db2.gz TXJDJNSSKGAGKZ-SNVBAGLBSA-N 1 0 267.304 2.630 10 5 CFBERO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050792695 521649087 /nfs/dbraw/zinc/64/90/87/521649087.db2.gz KOMCIFSZJAUMKT-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO CCOC1CC[NH+](Cc2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000050814617 521656682 /nfs/dbraw/zinc/65/66/82/521656682.db2.gz UZTUFNHKAKHCSM-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813214 521970179 /nfs/dbraw/zinc/97/01/79/521970179.db2.gz UJWSWRRPQSODBD-SNVBAGLBSA-N 1 0 251.330 2.655 10 5 CFBERO C[NH2+]CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157885576 521976205 /nfs/dbraw/zinc/97/62/05/521976205.db2.gz DKVNKARNAUYZLJ-UHFFFAOYSA-N 1 0 297.786 2.680 10 5 CFBERO CC[C@@H](C)COc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000050423879 522005929 /nfs/dbraw/zinc/00/59/29/522005929.db2.gz HMGFORLDRKGNDR-SNVBAGLBSA-N 1 0 252.314 2.739 10 5 CFBERO C[NH2+]C[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157882890 522084606 /nfs/dbraw/zinc/08/46/06/522084606.db2.gz UTYJVFJWTYNQSN-GFCCVEGCSA-N 1 0 297.786 2.680 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000050516858 522125335 /nfs/dbraw/zinc/12/53/35/522125335.db2.gz JINIDHABIRWCBP-UHFFFAOYSA-N 1 0 272.304 2.893 10 5 CFBERO C[NH2+][C@@H]1CCC[C@@H]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000048770201 522387350 /nfs/dbraw/zinc/38/73/50/522387350.db2.gz XERJJHROKIPLCW-ZWNOBZJWSA-N 1 0 264.325 2.534 10 5 CFBERO CC[C@@H]([NH3+])CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000082579327 522640949 /nfs/dbraw/zinc/64/09/49/522640949.db2.gz JOLWATGFRQCKQF-MRVPVSSYSA-N 1 0 288.145 2.507 10 5 CFBERO COc1cc(N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155838633 522759244 /nfs/dbraw/zinc/75/92/44/522759244.db2.gz RXTQAUAONZNDNV-ZDUSSCGKSA-N 1 0 293.367 2.923 10 5 CFBERO CC[C@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813084 523934988 /nfs/dbraw/zinc/93/49/88/523934988.db2.gz ZRFUPCNJECTWSR-JTQLQIEISA-N 1 0 251.330 2.797 10 5 CFBERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792804 524362591 /nfs/dbraw/zinc/36/25/91/524362591.db2.gz PBIYRDDTTROJBU-PHIMTYICSA-N 1 0 263.341 2.940 10 5 CFBERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792801 524362882 /nfs/dbraw/zinc/36/28/82/524362882.db2.gz NQBKFFQZDMTIHW-PHIMTYICSA-N 1 0 263.341 2.940 10 5 CFBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000309466499 524481220 /nfs/dbraw/zinc/48/12/20/524481220.db2.gz SMFGKPUAJCTBEG-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO C[C@@H](C[NH+]1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049184144 524595278 /nfs/dbraw/zinc/59/52/78/524595278.db2.gz LEVUCMNPBNIGDH-JTQLQIEISA-N 1 0 267.304 2.630 10 5 CFBERO C[C@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000052278847 524963832 /nfs/dbraw/zinc/96/38/32/524963832.db2.gz XDMPZCIGJCBPTD-WRWORJQWSA-N 1 0 285.141 2.855 10 5 CFBERO Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000050944544 525032483 /nfs/dbraw/zinc/03/24/83/525032483.db2.gz FKMQMQUXYLAASN-UHFFFAOYSA-N 1 0 291.351 2.622 10 5 CFBERO Cc1ccc(OCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000061701628 525412488 /nfs/dbraw/zinc/41/24/88/525412488.db2.gz AHPRRMBFTDSSRV-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO CSCCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000069433729 525479193 /nfs/dbraw/zinc/47/91/93/525479193.db2.gz WJAZQDOXTXSQFG-UHFFFAOYSA-N 1 0 276.308 2.716 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163804 525571242 /nfs/dbraw/zinc/57/12/42/525571242.db2.gz MYPCNVALKZHVDD-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000052121231 525645055 /nfs/dbraw/zinc/64/50/55/525645055.db2.gz WHSDPDUMWBKSMC-VHSXEESVSA-N 1 0 267.304 2.534 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1noc(CCC(C)(C)[NH3+])n1 ZINC000050441216 526066284 /nfs/dbraw/zinc/06/62/84/526066284.db2.gz TWIKIGSMPQPHBE-UHFFFAOYSA-N 1 0 290.323 2.623 10 5 CFBERO Cc1nc(N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155860714 526999773 /nfs/dbraw/zinc/99/97/73/526999773.db2.gz WIWUSYURZWYQTG-LBPRGKRZSA-N 1 0 278.356 2.618 10 5 CFBERO O=[N+]([O-])c1ccc(COCC2CC[NH2+]CC2)c(Cl)c1 ZINC000051815142 527352311 /nfs/dbraw/zinc/35/23/11/527352311.db2.gz GPGMQKJJQDUPEX-UHFFFAOYSA-N 1 0 284.743 2.764 10 5 CFBERO [NH3+][C@H](CC[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000069395921 527385792 /nfs/dbraw/zinc/38/57/92/527385792.db2.gz AURRXFDTUHRPHL-ZIAGYGMSSA-N 1 0 278.352 2.814 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000310401440 618300214 /nfs/dbraw/zinc/30/02/14/618300214.db2.gz GVADTZLMVJMNBF-QMMMGPOBSA-N 1 0 257.721 2.788 10 5 CFBERO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000235645773 618126101 /nfs/dbraw/zinc/12/61/01/618126101.db2.gz HQCLJQQCOJNWKM-WKEGUHRASA-N 1 0 290.150 2.685 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000104351988 618873233 /nfs/dbraw/zinc/87/32/33/618873233.db2.gz PHONFMXEGNMASC-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO Cc1cc(N[C@@H](C[NH3+])C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000261873617 619300545 /nfs/dbraw/zinc/30/05/45/619300545.db2.gz ZKFGQRFDPOQNBJ-ZDUSSCGKSA-N 1 0 281.331 2.972 10 5 CFBERO C[C@H]1[C@H]([NH3+])CCN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310789198 620040609 /nfs/dbraw/zinc/04/06/09/620040609.db2.gz QMVGOKDOWMWRDP-QUBYGPBYSA-N 1 0 290.150 2.828 10 5 CFBERO COc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227859962 623121757 /nfs/dbraw/zinc/12/17/57/623121757.db2.gz IXVSMJUNXXXWGV-UWVGGRQHSA-N 1 0 297.330 2.543 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125211196 642555983 /nfs/dbraw/zinc/55/59/83/642555983.db2.gz XIIXMNYBMDWXDA-SECBINFHSA-N 1 0 257.721 2.643 10 5 CFBERO CCC(CC)(CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096630404 185108042 /nfs/dbraw/zinc/10/80/42/185108042.db2.gz BIIUUDFTYFNGFR-UHFFFAOYSA-N 1 0 286.759 2.889 10 5 CFBERO CCOc1cccc(NCC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000596030264 349778681 /nfs/dbraw/zinc/77/86/81/349778681.db2.gz QTXBRHNPPMXRRH-LLVKDONJSA-N 1 0 281.356 2.779 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132518721 232209178 /nfs/dbraw/zinc/20/91/78/232209178.db2.gz JMVZXFBNNYUXJA-MNOVXSKESA-N 1 0 281.743 2.579 10 5 CFBERO Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000037988822 346336003 /nfs/dbraw/zinc/33/60/03/346336003.db2.gz BZPCJDFIQXTXQD-ZDUSSCGKSA-N 1 0 264.325 2.562 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000085988248 179212761 /nfs/dbraw/zinc/21/27/61/179212761.db2.gz GXDPQGNRJFUTJA-FZMZJTMJSA-N 1 0 298.770 2.889 10 5 CFBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000089105913 347511640 /nfs/dbraw/zinc/51/16/40/347511640.db2.gz DLEYUBPHDUGVQC-ZYHUDNBSSA-N 1 0 286.335 2.682 10 5 CFBERO CC[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122943534 347817581 /nfs/dbraw/zinc/81/75/81/347817581.db2.gz AHPFLVPNWYJUMC-ONGXEEELSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cc(N2CC[C@H]([NH3+])[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000123053171 347817718 /nfs/dbraw/zinc/81/77/18/347817718.db2.gz QXNJFXLLXSMDQS-YPMHNXCESA-N 1 0 293.367 2.557 10 5 CFBERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000320442199 348436955 /nfs/dbraw/zinc/43/69/55/348436955.db2.gz ZYFBQGILPWDHNZ-DTWKUNHWSA-N 1 0 255.293 2.580 10 5 CFBERO [NH3+]CC1(CCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000404527819 348592876 /nfs/dbraw/zinc/59/28/76/348592876.db2.gz VHBOSECTVNGOMS-UHFFFAOYSA-N 1 0 269.732 2.789 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089142930 179720595 /nfs/dbraw/zinc/72/05/95/179720595.db2.gz AWXUNLUSJQFJSM-PWSUYJOCSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000089143246 179721271 /nfs/dbraw/zinc/72/12/71/179721271.db2.gz RVFLLWQNOYWDOE-KWQFWETISA-N 1 0 285.294 2.802 10 5 CFBERO Cc1cccc(N2CCCCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000600959002 350637195 /nfs/dbraw/zinc/63/71/95/350637195.db2.gz PFJLYNUVTFSLKH-LBPRGKRZSA-N 1 0 263.341 2.611 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958515 350637207 /nfs/dbraw/zinc/63/72/07/350637207.db2.gz HEKSKBCLPJBLFE-GFCCVEGCSA-N 1 0 263.341 2.611 10 5 CFBERO [NH3+]CC[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000236182304 283443680 /nfs/dbraw/zinc/44/36/80/283443680.db2.gz PENABOUXQFDURR-JTQLQIEISA-N 1 0 283.759 2.813 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000301482132 201023501 /nfs/dbraw/zinc/02/35/01/201023501.db2.gz SXJSYMCSWXVTNP-AWEZNQCLSA-N 1 0 263.341 2.515 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248135887 299369936 /nfs/dbraw/zinc/36/99/36/299369936.db2.gz PBJCSTOHYJMHMT-CORIIIEPSA-N 1 0 278.352 2.797 10 5 CFBERO COc1cc(N[C@@H](C[NH3+])C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000227861356 189788585 /nfs/dbraw/zinc/78/85/85/189788585.db2.gz WHAVUONQHAHBAU-LBPRGKRZSA-N 1 0 297.330 2.672 10 5 CFBERO CCOC(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045686475 373027714 /nfs/dbraw/zinc/02/77/14/373027714.db2.gz QWDUXHXYMXQONQ-ZDUSSCGKSA-N 1 0 280.324 2.589 10 5 CFBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000063171660 373790191 /nfs/dbraw/zinc/79/01/91/373790191.db2.gz HRNLFTXDMOKLTI-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000094663267 375373114 /nfs/dbraw/zinc/37/31/14/375373114.db2.gz ZOSVOQVXPKAKHE-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1ccc2sc(OC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092075 375413504 /nfs/dbraw/zinc/41/35/04/375413504.db2.gz ICXBHMIGNLMJGP-VIFPVBQESA-N 1 0 293.348 2.583 10 5 CFBERO Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135610588 378149972 /nfs/dbraw/zinc/14/99/72/378149972.db2.gz BUQUAGDEBMTHTR-DZGCQCFKSA-N 1 0 278.352 2.686 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000175047160 379985649 /nfs/dbraw/zinc/98/56/49/379985649.db2.gz UYJXTXGOSWRWFK-CHWSQXEVSA-N 1 0 295.408 2.715 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCCC[NH3+])c1 ZINC000336792206 380640207 /nfs/dbraw/zinc/64/02/07/380640207.db2.gz RAOBXLGQJLLFIC-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CCCC[NH3+] ZINC000336793748 380641342 /nfs/dbraw/zinc/64/13/42/380641342.db2.gz YEIUCPZJIAWOME-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181545929 380823855 /nfs/dbraw/zinc/82/38/55/380823855.db2.gz GCWMRQYNRCPNGE-RISCZKNCSA-N 1 0 293.367 2.550 10 5 CFBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000182602706 381117915 /nfs/dbraw/zinc/11/79/15/381117915.db2.gz JGLZUEYSGNRQFF-BXUZGUMPSA-N 1 0 290.319 2.880 10 5 CFBERO C[NH2+][C@@H](C)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310900548 382499344 /nfs/dbraw/zinc/49/93/44/382499344.db2.gz BPHMIVRSTDCRTJ-ZETCQYMHSA-N 1 0 259.256 2.552 10 5 CFBERO C[C@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000312311730 382514203 /nfs/dbraw/zinc/51/42/03/382514203.db2.gz QDLDUPGZSKHCMV-OIBJUYFYSA-N 1 0 289.257 2.540 10 5 CFBERO Cc1cnn(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000218989328 382791576 /nfs/dbraw/zinc/79/15/76/382791576.db2.gz JUHUKAFFMZNPNL-UHFFFAOYSA-N 1 0 294.742 2.543 10 5 CFBERO CCOc1cccc(N[C@@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000229610982 382852765 /nfs/dbraw/zinc/85/27/65/382852765.db2.gz NOJWPMPDGYHWLU-GHMZBOCLSA-N 1 0 279.340 2.546 10 5 CFBERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245775645 383035010 /nfs/dbraw/zinc/03/50/10/383035010.db2.gz SPXSVIUIJZXWMI-HIFRSBDPSA-N 1 0 289.379 2.572 10 5 CFBERO C[NH2+][C@@H]1CCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000081776270 177858283 /nfs/dbraw/zinc/85/82/83/177858283.db2.gz YSQCFKVDMCNFER-NEPJUHHUSA-N 1 0 252.339 2.827 10 5 CFBERO CCC[NH2+][C@H]1CCOC[C@@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000081776446 177858122 /nfs/dbraw/zinc/85/81/22/177858122.db2.gz VNXPIERNVJLIJJ-KBPBESRZSA-N 1 0 296.392 2.844 10 5 CFBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000420211716 394095981 /nfs/dbraw/zinc/09/59/81/394095981.db2.gz FQPOFVPGTNLDJI-SSDOTTSWSA-N 1 0 277.246 2.620 10 5 CFBERO Cc1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000235873442 397626750 /nfs/dbraw/zinc/62/67/50/397626750.db2.gz DORFKHBWWPPLBU-ZDUSSCGKSA-N 1 0 263.341 2.833 10 5 CFBERO Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108796 292161931 /nfs/dbraw/zinc/16/19/31/292161931.db2.gz IZAUPQMRHOYXOQ-RYUDHWBXSA-N 1 0 263.341 2.833 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[NH2+]CCc2ccccc2)cc1 ZINC000010315605 170403963 /nfs/dbraw/zinc/40/39/63/170403963.db2.gz LZSQTIQCEKDFPH-UHFFFAOYSA-N 1 0 285.347 2.839 10 5 CFBERO CC(C)[NH2+]CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524947 171237788 /nfs/dbraw/zinc/23/77/88/171237788.db2.gz QATIRKYKITXKMN-UHFFFAOYSA-N 1 0 258.705 2.625 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1OCCC[NH2+]C1CC1 ZINC000020524941 171237931 /nfs/dbraw/zinc/23/79/31/171237931.db2.gz OUWVTTKTOYPSMM-UHFFFAOYSA-N 1 0 270.716 2.769 10 5 CFBERO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000328223148 270298777 /nfs/dbraw/zinc/29/87/77/270298777.db2.gz ZBQPSXDJUCWSRO-VIFPVBQESA-N 1 0 269.732 2.754 10 5 CFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000029577318 171605118 /nfs/dbraw/zinc/60/51/18/171605118.db2.gz JYZJEIHCYWOLQM-VXGBXAGGSA-N 1 0 293.367 2.864 10 5 CFBERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386448 173169527 /nfs/dbraw/zinc/16/95/27/173169527.db2.gz LQEORFBQMCRFGV-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CC(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037396225 173177100 /nfs/dbraw/zinc/17/71/00/173177100.db2.gz HWWHBMJIAQWXQN-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000038128920 174131822 /nfs/dbraw/zinc/13/18/22/174131822.db2.gz CVRSLCAEUAVAAS-AWEZNQCLSA-N 1 0 260.268 2.976 10 5 CFBERO [NH2+]=C1c2ccccc2CN1Nc1ccc([N+](=O)[O-])cc1 ZINC000039850639 174174264 /nfs/dbraw/zinc/17/42/64/174174264.db2.gz RZNXLRCIDMCPBV-UHFFFAOYSA-N 1 0 268.276 2.763 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000040673592 174372344 /nfs/dbraw/zinc/37/23/44/174372344.db2.gz QUVDMIXWFCNXNR-LLVKDONJSA-N 1 0 286.335 2.649 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Oc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000043472992 175053874 /nfs/dbraw/zinc/05/38/74/175053874.db2.gz BEIAWTZEEAVXHD-UHFFFAOYSA-N 1 0 290.254 2.514 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000043499268 175058425 /nfs/dbraw/zinc/05/84/25/175058425.db2.gz ODFJXGAESDDBNB-SNVBAGLBSA-N 1 0 268.288 2.645 10 5 CFBERO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])ccn1 ZINC000043567635 175067237 /nfs/dbraw/zinc/06/72/37/175067237.db2.gz COUCYEUCIAHIFD-LBPRGKRZSA-N 1 0 278.356 2.666 10 5 CFBERO CCC[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000043571363 175069069 /nfs/dbraw/zinc/06/90/69/175069069.db2.gz WTMPKQZNZWMFCB-JTQLQIEISA-N 1 0 280.259 2.584 10 5 CFBERO CC[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH3+] ZINC000044539479 175200940 /nfs/dbraw/zinc/20/09/40/175200940.db2.gz SAFZTEHEBPKLLG-CABCVRRESA-N 1 0 277.368 2.859 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C ZINC000044563160 175206923 /nfs/dbraw/zinc/20/69/23/175206923.db2.gz PVZOTKREQGSQJQ-CYBMUJFWSA-N 1 0 263.341 2.799 10 5 CFBERO C[C@@H](CNc1nc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000045014477 175290850 /nfs/dbraw/zinc/29/08/50/175290850.db2.gz JLELXHAMJZDGMY-JTQLQIEISA-N 1 0 298.774 2.930 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000070463593 175944238 /nfs/dbraw/zinc/94/42/38/175944238.db2.gz RRZCDNLRNKRUNE-JTQLQIEISA-N 1 0 273.283 2.928 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000038050842 274961907 /nfs/dbraw/zinc/96/19/07/274961907.db2.gz UMJPECYGQMTUIE-GXTWGEPZSA-N 1 0 286.335 2.825 10 5 CFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)CCC2 ZINC000192861596 275038488 /nfs/dbraw/zinc/03/84/88/275038488.db2.gz WYSGDJVWMGHNPD-OAGGEKHMSA-N 1 0 290.363 2.865 10 5 CFBERO C[N+]1(Cc2cc(Cl)cc3c2OCOC3)CCCC1 ZINC000000159240 280177662 /nfs/dbraw/zinc/17/76/62/280177662.db2.gz IPKWZKQLJZMIPJ-UHFFFAOYSA-N 1 0 268.764 2.947 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182761196 281020109 /nfs/dbraw/zinc/02/01/09/281020109.db2.gz DCEMTBWHKLKCAJ-UKRRQHHQSA-N 1 0 289.379 2.744 10 5 CFBERO [NH3+][C@H]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382472527 324428970 /nfs/dbraw/zinc/42/89/70/324428970.db2.gz QUJFQYMXDVBTRD-IUCAKERBSA-N 1 0 269.732 2.930 10 5 CFBERO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382474581 324429016 /nfs/dbraw/zinc/42/90/16/324429016.db2.gz RWEMSGSNKLCERY-ZJUUUORDSA-N 1 0 267.304 2.724 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000536960323 330384088 /nfs/dbraw/zinc/38/40/88/330384088.db2.gz YODLSEBXIURVBE-GFCCVEGCSA-N 1 0 294.351 2.963 10 5 CFBERO CCC(CC)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813940 521543790 /nfs/dbraw/zinc/54/37/90/521543790.db2.gz QZJSOUSZPIHPQF-UHFFFAOYSA-N 1 0 251.330 2.797 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097829920 534327772 /nfs/dbraw/zinc/32/77/72/534327772.db2.gz AXIGVCCHIYYKQL-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO CC(C)[NH2+]CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470231 519721884 /nfs/dbraw/zinc/72/18/84/519721884.db2.gz CFUXVMYAIIMLFJ-UHFFFAOYSA-N 1 0 258.705 2.625 10 5 CFBERO CCC[NH2+]CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000050617167 519914348 /nfs/dbraw/zinc/91/43/48/519914348.db2.gz IINWDMWJJMIPII-UHFFFAOYSA-N 1 0 290.323 2.577 10 5 CFBERO CCC[NH2+][C@@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000050619121 519990628 /nfs/dbraw/zinc/99/06/28/519990628.db2.gz ZWBPZAPSRCEOFX-VIFPVBQESA-N 1 0 276.296 2.705 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C)CC)c1 ZINC000050516995 520001743 /nfs/dbraw/zinc/00/17/43/520001743.db2.gz YPNIUAIWMXNPKS-SNVBAGLBSA-N 1 0 252.314 2.882 10 5 CFBERO CCOC[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443981 520138898 /nfs/dbraw/zinc/13/88/98/520138898.db2.gz KVCRFPAZYQLJSG-VIFPVBQESA-N 1 0 272.732 2.763 10 5 CFBERO CCNc1ccc(C[N@H+](CCCO)C(C)C)cc1[N+](=O)[O-] ZINC000050818071 520300103 /nfs/dbraw/zinc/30/01/03/520300103.db2.gz KQWHMNDYQPYOIO-UHFFFAOYSA-N 1 0 295.383 2.619 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)C ZINC000050792627 520328818 /nfs/dbraw/zinc/32/88/18/520328818.db2.gz DBWOUWDXJUZRTP-UHFFFAOYSA-N 1 0 251.330 2.867 10 5 CFBERO CC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000050813550 521323201 /nfs/dbraw/zinc/32/32/01/521323201.db2.gz FENQSKSPQGEJOU-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO CNc1ccc(C[N@H+](CCOC)CC(C)C)cc1[N+](=O)[O-] ZINC000050815110 522607387 /nfs/dbraw/zinc/60/73/87/522607387.db2.gz YNEXZZCEHQTLOO-UHFFFAOYSA-N 1 0 295.383 2.741 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000245440890 523486629 /nfs/dbraw/zinc/48/66/29/523486629.db2.gz UYJXTXGOSWRWFK-OLZOCXBDSA-N 1 0 295.408 2.715 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000313274758 524138774 /nfs/dbraw/zinc/13/87/74/524138774.db2.gz BQSWQCDJPQOWAZ-SNVBAGLBSA-N 1 0 274.324 2.682 10 5 CFBERO Cc1cc(C)c(Oc2ncccc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC000050441906 524312412 /nfs/dbraw/zinc/31/24/12/524312412.db2.gz PQINVNOAWMSFLY-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000313067661 525071674 /nfs/dbraw/zinc/07/16/74/525071674.db2.gz JLCYQEJOXCZFGQ-QWRGUYRKSA-N 1 0 281.331 2.606 10 5 CFBERO Cc1ccc(NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000061701007 525279109 /nfs/dbraw/zinc/27/91/09/525279109.db2.gz HRCIDQPPYZZYKW-UHFFFAOYSA-N 1 0 263.341 2.801 10 5 CFBERO Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261591495 525295032 /nfs/dbraw/zinc/29/50/32/525295032.db2.gz LYIBEHSDCMNJST-GXSJLCMTSA-N 1 0 267.304 2.595 10 5 CFBERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274034 525328760 /nfs/dbraw/zinc/32/87/60/525328760.db2.gz HCUGAXLBCJLPMJ-XCBNKYQSSA-N 1 0 285.141 2.855 10 5 CFBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000182602676 525731661 /nfs/dbraw/zinc/73/16/61/525731661.db2.gz JGLZUEYSGNRQFF-RISCZKNCSA-N 1 0 290.319 2.880 10 5 CFBERO Cc1c(COCC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000051862267 525733273 /nfs/dbraw/zinc/73/32/73/525733273.db2.gz HYYGSHIKWFMZGC-CQSZACIVSA-N 1 0 278.352 2.952 10 5 CFBERO NC(=[NH2+])c1cccnc1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470327 526823920 /nfs/dbraw/zinc/82/39/20/526823920.db2.gz WKXNWUAPEKLKJL-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccncc1 ZINC000050443509 527332792 /nfs/dbraw/zinc/33/27/92/527332792.db2.gz RTXSXXVFEAJBQV-UHFFFAOYSA-N 1 0 291.738 2.976 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000050443976 527334281 /nfs/dbraw/zinc/33/42/81/527334281.db2.gz DYQOLHFDTNVYHK-LBPRGKRZSA-N 1 0 295.770 2.575 10 5 CFBERO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCCO)c(Cl)c1 ZINC000052762376 527349806 /nfs/dbraw/zinc/34/98/06/527349806.db2.gz RSGUZVJEKRHEGA-LBPRGKRZSA-N 1 0 298.770 2.985 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190746 527356658 /nfs/dbraw/zinc/35/66/58/527356658.db2.gz UNLORKVDAOZNJC-QWHCGFSZSA-N 1 0 293.342 2.845 10 5 CFBERO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160539472 527400190 /nfs/dbraw/zinc/40/01/90/527400190.db2.gz CJVKVIRBVUOZDY-UHFFFAOYSA-N 1 0 286.335 2.698 10 5 CFBERO [NH3+]C1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000051694068 618048848 /nfs/dbraw/zinc/04/88/48/618048848.db2.gz JRUNUWGVHHZONR-UHFFFAOYSA-N 1 0 269.732 2.930 10 5 CFBERO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050164087 618082875 /nfs/dbraw/zinc/08/28/75/618082875.db2.gz VTTJFBLKCQTLQA-UWVGGRQHSA-N 1 0 267.304 2.534 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052759540 618195417 /nfs/dbraw/zinc/19/54/17/618195417.db2.gz VYEOADZZBNJHLM-LBPRGKRZSA-N 1 0 298.770 2.985 10 5 CFBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235367621 618252281 /nfs/dbraw/zinc/25/22/81/618252281.db2.gz NUUOCBGIQLQJCJ-SSDOTTSWSA-N 1 0 290.150 2.700 10 5 CFBERO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236043665 618479339 /nfs/dbraw/zinc/47/93/39/618479339.db2.gz CPRIWZCEPQNWDH-ZETCQYMHSA-N 1 0 290.150 2.923 10 5 CFBERO Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000311996703 618816529 /nfs/dbraw/zinc/81/65/29/618816529.db2.gz QWGZRDDPNPTLMF-ZJUUUORDSA-N 1 0 267.304 2.582 10 5 CFBERO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261591496 619173881 /nfs/dbraw/zinc/17/38/81/619173881.db2.gz LYIBEHSDCMNJST-KOLCDFICSA-N 1 0 267.304 2.595 10 5 CFBERO C[C@H](CCC[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000310401438 619475130 /nfs/dbraw/zinc/47/51/30/619475130.db2.gz GVADTZLMVJMNBF-MRVPVSSYSA-N 1 0 257.721 2.788 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229609939 623214428 /nfs/dbraw/zinc/21/44/28/623214428.db2.gz NNMDJLJJKVLBNB-PSASIEDQSA-N 1 0 269.732 2.801 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230133974 623257206 /nfs/dbraw/zinc/25/72/06/623257206.db2.gz VRVCLZMKSOHMLG-ADEWGFFLSA-N 1 0 295.770 2.812 10 5 CFBERO CC[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252697619 625927706 /nfs/dbraw/zinc/92/77/06/625927706.db2.gz ILCGZWYYXVQTGG-MWLCHTKSSA-N 1 0 283.759 2.812 10 5 CFBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000122961270 639530072 /nfs/dbraw/zinc/53/00/72/639530072.db2.gz WWVDAQXZAVNXGB-SKDRFNHKSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108452 650827849 /nfs/dbraw/zinc/82/78/49/650827849.db2.gz LCQJMFRDVAPVTB-AAEUAGOBSA-N 1 0 293.367 2.923 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000130529935 645519048 /nfs/dbraw/zinc/51/90/48/645519048.db2.gz IQZUWYYERHJFEV-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000213710727 645537721 /nfs/dbraw/zinc/53/77/21/645537721.db2.gz KFNCCQBHRHYCFK-JTQLQIEISA-N 1 0 297.355 2.541 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000131909956 645849255 /nfs/dbraw/zinc/84/92/55/645849255.db2.gz BFENTHSFOURONG-QMMMGPOBSA-N 1 0 289.257 2.635 10 5 CFBERO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000133639156 646199156 /nfs/dbraw/zinc/19/91/56/646199156.db2.gz KXBXUBBOIDSDRH-NSHDSACASA-N 1 0 269.320 2.544 10 5 CFBERO C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000082807702 178309974 /nfs/dbraw/zinc/30/99/74/178309974.db2.gz YRYFNJOXTGMIHS-UHFFFAOYSA-N 1 0 292.726 2.626 10 5 CFBERO CCOc1cc(N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000070188698 346907946 /nfs/dbraw/zinc/90/79/46/346907946.db2.gz WVERAUSMGRANEN-UHFFFAOYSA-N 1 0 293.367 2.559 10 5 CFBERO CC[C@@H]([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000038005922 346336896 /nfs/dbraw/zinc/33/68/96/346336896.db2.gz PJKHGWCENDVPOD-CYBMUJFWSA-N 1 0 260.297 2.559 10 5 CFBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000078251251 347233899 /nfs/dbraw/zinc/23/38/99/347233899.db2.gz CMROLGXEMHZYNO-UHFFFAOYSA-N 1 0 277.368 2.825 10 5 CFBERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784890 347646738 /nfs/dbraw/zinc/64/67/38/347646738.db2.gz RBCLFOHOTCQHJZ-CQSZACIVSA-N 1 0 278.352 2.640 10 5 CFBERO CC[NH2+]CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130584407 347872325 /nfs/dbraw/zinc/87/23/25/347872325.db2.gz SGZPEEACMOLISC-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818691 179346947 /nfs/dbraw/zinc/34/69/47/179346947.db2.gz AXPVAOMPBLDCIK-JSGCOSHPSA-N 1 0 277.368 2.730 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000086838990 179352093 /nfs/dbraw/zinc/35/20/93/179352093.db2.gz MSSCKIXJFSOEOI-GFCCVEGCSA-N 1 0 263.341 2.881 10 5 CFBERO CC(C)Oc1cc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000213862956 348160839 /nfs/dbraw/zinc/16/08/39/348160839.db2.gz QHLFGJZHMIWQHL-UHFFFAOYSA-N 1 0 293.367 2.888 10 5 CFBERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000219233433 348168391 /nfs/dbraw/zinc/16/83/91/348168391.db2.gz YQBTVVABSAMXAC-YNEHKIRRSA-N 1 0 278.352 2.797 10 5 CFBERO CC[NH2+]CCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000233510939 348217093 /nfs/dbraw/zinc/21/70/93/348217093.db2.gz HODBEBIDBOSBKK-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000320517750 348436879 /nfs/dbraw/zinc/43/68/79/348436879.db2.gz MDSVUSVMIOHXGZ-HTQZYQBOSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320938408 348437236 /nfs/dbraw/zinc/43/72/36/348437236.db2.gz SXFSLAVPDFTFTG-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO COc1ccc(Oc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000087881912 179509365 /nfs/dbraw/zinc/50/93/65/179509365.db2.gz WMQWAZUEKTVVED-UHFFFAOYSA-N 1 0 288.303 2.897 10 5 CFBERO Cc1cc([N+](=O)[O-])cnc1Oc1ccc(CC[NH3+])cc1 ZINC000087881902 179509441 /nfs/dbraw/zinc/50/94/41/179509441.db2.gz BNYONVCZWSAJFL-UHFFFAOYSA-N 1 0 273.292 2.592 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089142894 179720527 /nfs/dbraw/zinc/72/05/27/179720527.db2.gz RKXNGUCLICCZDT-CMPLNLGQSA-N 1 0 279.340 2.533 10 5 CFBERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000600954473 350636785 /nfs/dbraw/zinc/63/67/85/350636785.db2.gz DCTXUCKBRJPHEX-UWVGGRQHSA-N 1 0 267.304 2.595 10 5 CFBERO CCCN(c1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000111052013 186348685 /nfs/dbraw/zinc/34/86/85/186348685.db2.gz WTJSBMMHFHHZJP-ZDUSSCGKSA-N 1 0 293.367 2.572 10 5 CFBERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000610420511 351564894 /nfs/dbraw/zinc/56/48/94/351564894.db2.gz DITDURRUCDICEK-NSHDSACASA-N 1 0 296.392 2.504 10 5 CFBERO [NH3+][C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000035246539 283626909 /nfs/dbraw/zinc/62/69/09/283626909.db2.gz WMQRCHGGIGFPAI-VIFPVBQESA-N 1 0 289.257 2.541 10 5 CFBERO C[NH+](C)CCNC(=O)c1cccc2cc3ccccc3nc21 ZINC000003787606 371817550 /nfs/dbraw/zinc/81/75/50/371817550.db2.gz XBGNERSKEKDZDS-UHFFFAOYSA-N 1 0 293.370 2.679 10 5 investigational CFBERO CCOC(=O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045686476 373026260 /nfs/dbraw/zinc/02/62/60/373026260.db2.gz QWDUXHXYMXQONQ-CYBMUJFWSA-N 1 0 280.324 2.589 10 5 CFBERO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000050163787 373360110 /nfs/dbraw/zinc/36/01/10/373360110.db2.gz MEMKKUYTWWTBEF-UWVGGRQHSA-N 1 0 267.304 2.534 10 5 CFBERO CC[NH2+]CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054267294 373509848 /nfs/dbraw/zinc/50/98/48/373509848.db2.gz MWDBPGXODHOIAC-UHFFFAOYSA-N 1 0 277.246 2.635 10 5 CFBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000063171712 373790545 /nfs/dbraw/zinc/79/05/45/373790545.db2.gz NDXZHRVUFDHWCA-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000070447796 374177668 /nfs/dbraw/zinc/17/76/68/374177668.db2.gz OECDATBUTAGDFI-LLVKDONJSA-N 1 0 274.324 2.538 10 5 CFBERO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093211865 375196564 /nfs/dbraw/zinc/19/65/64/375196564.db2.gz QUTQKLSDWUTTBE-BDAKNGLRSA-N 1 0 269.732 2.930 10 5 CFBERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000093632674 375277623 /nfs/dbraw/zinc/27/76/23/375277623.db2.gz SVTDOYFOOVSLPZ-RNCFNFMXSA-N 1 0 284.743 2.905 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000130553571 377575746 /nfs/dbraw/zinc/57/57/46/377575746.db2.gz CJAHZBPIIOGQLE-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO CCC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000136768713 378208588 /nfs/dbraw/zinc/20/85/88/378208588.db2.gz DHKOYKBSCWCBRQ-RISCZKNCSA-N 1 0 293.367 2.502 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCCC[NH3+])c1 ZINC000336792205 380639683 /nfs/dbraw/zinc/63/96/83/380639683.db2.gz RAOBXLGQJLLFIC-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO C[C@H]1O[C@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2 ZINC000000162699 169559340 /nfs/dbraw/zinc/55/93/40/169559340.db2.gz WYAGXNHBWYSTNJ-DOMZBBRYSA-N 1 0 282.791 2.862 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000312096692 382510260 /nfs/dbraw/zinc/51/02/60/382510260.db2.gz FNOVLMAQZVVKRL-JTQLQIEISA-N 1 0 269.320 2.972 10 5 CFBERO [NH3+]CC[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000383409962 382543344 /nfs/dbraw/zinc/54/33/44/382543344.db2.gz WLZOBSDTDXVCHL-ZETCQYMHSA-N 1 0 279.674 2.643 10 5 CFBERO CC[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358412185 382603608 /nfs/dbraw/zinc/60/36/08/382603608.db2.gz YNJLXDOBADKVIH-UGFHNGPFSA-N 1 0 277.368 2.586 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000336832125 382726512 /nfs/dbraw/zinc/72/65/12/382726512.db2.gz FFNMXNOTMXXJQU-JTQLQIEISA-N 1 0 274.324 2.682 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336837241 382729877 /nfs/dbraw/zinc/72/98/77/382729877.db2.gz LSAGZLLUOFTRGT-QMMMGPOBSA-N 1 0 295.368 2.529 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245515162 383003857 /nfs/dbraw/zinc/00/38/57/383003857.db2.gz DCEMTBWHKLKCAJ-HIFRSBDPSA-N 1 0 289.379 2.744 10 5 CFBERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000261575112 383518397 /nfs/dbraw/zinc/51/83/97/383518397.db2.gz JPBWVYPSBJQXMV-BQBZGAKWSA-N 1 0 288.145 2.505 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133691889 285095117 /nfs/dbraw/zinc/09/51/17/285095117.db2.gz XRFSCJSCXOBKJV-UHFFFAOYSA-N 1 0 293.342 2.702 10 5 CFBERO C[C@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000282195884 385244238 /nfs/dbraw/zinc/24/42/38/385244238.db2.gz LAUOIZLSPGNBCD-RYUDHWBXSA-N 1 0 278.352 2.888 10 5 CFBERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1ccccc1[N+](=O)[O-] ZINC000081777317 177858128 /nfs/dbraw/zinc/85/81/28/177858128.db2.gz NVLHXCDAOWROGQ-BXUZGUMPSA-N 1 0 296.392 2.844 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248650734 393912983 /nfs/dbraw/zinc/91/29/83/393912983.db2.gz UTKHQMDKBTXVAC-CZUORRHYSA-N 1 0 289.379 2.572 10 5 CFBERO [NH3+]C[C@H]1CCCCN1c1ccc2scnc2c1[N+](=O)[O-] ZINC000044559551 134910355 /nfs/dbraw/zinc/91/03/55/134910355.db2.gz MADQPVFBAPQGLJ-SECBINFHSA-N 1 0 292.364 2.522 10 5 CFBERO C[NH+](C)C[C@@H](c1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1 ZINC000026740456 171497371 /nfs/dbraw/zinc/49/73/71/171497371.db2.gz FVBFFORJALCGMO-HNNXBMFYSA-N 1 0 292.379 2.935 10 5 CFBERO CCC[NH2+]CCCOc1ccc([N+](=O)[O-])cc1F ZINC000037064772 172927941 /nfs/dbraw/zinc/92/79/41/172927941.db2.gz CMGYOAKPJXEYNF-UHFFFAOYSA-N 1 0 256.277 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037165463 173000964 /nfs/dbraw/zinc/00/09/64/173000964.db2.gz RWQULQGGMJDZQJ-CMPLNLGQSA-N 1 0 284.743 2.641 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]CC2CCC2)c(F)cc1F ZINC000037253929 173064491 /nfs/dbraw/zinc/06/44/91/173064491.db2.gz BGACQGFBBPEPEO-UHFFFAOYSA-N 1 0 256.252 2.763 10 5 CFBERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386512 173170318 /nfs/dbraw/zinc/17/03/18/173170318.db2.gz XATBUDHLAKVZQM-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CC[C@@H]([NH2+]CCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000037416773 173194089 /nfs/dbraw/zinc/19/40/89/173194089.db2.gz NCOICTMROYNYDN-CYBMUJFWSA-N 1 0 280.324 2.589 10 5 CFBERO CC[NH2+][C@@H](C)[C@H](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000037949361 173889317 /nfs/dbraw/zinc/88/93/17/173889317.db2.gz PIXWWPZBPFPZFA-MNOVXSKESA-N 1 0 266.341 2.780 10 5 CFBERO NC(=[NH2+])c1cccc(COc2ccc([N+](=O)[O-])cc2F)c1 ZINC000038082068 174091301 /nfs/dbraw/zinc/09/13/01/174091301.db2.gz FCNHVTDMGOKRFF-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO [NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000038128919 174131635 /nfs/dbraw/zinc/13/16/35/174131635.db2.gz CVRSLCAEUAVAAS-CQSZACIVSA-N 1 0 260.268 2.976 10 5 CFBERO CC[NH+](CC)C[C@@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000041677186 174602118 /nfs/dbraw/zinc/60/21/18/174602118.db2.gz GLGDQGHZCLWHLV-LLVKDONJSA-N 1 0 251.330 2.737 10 5 CFBERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000043474004 175054337 /nfs/dbraw/zinc/05/43/37/175054337.db2.gz RBTNJJCEWOFHNT-FGWVZKOKSA-N 1 0 279.315 2.771 10 5 CFBERO Cc1c(OCC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000043499249 175057987 /nfs/dbraw/zinc/05/79/87/175057987.db2.gz WXHFMDMTFSJHHP-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO O=[N+]([O-])c1ccccc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495354 175058263 /nfs/dbraw/zinc/05/82/63/175058263.db2.gz XBOYHZQGVSYQOB-JTQLQIEISA-N 1 0 252.339 2.829 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044502771 175186185 /nfs/dbraw/zinc/18/61/85/175186185.db2.gz JXPYZCSWLYPCKA-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561529 175205241 /nfs/dbraw/zinc/20/52/41/175205241.db2.gz SUVMMSBHPAYUCI-WFASDCNBSA-N 1 0 277.368 2.730 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563307 175207072 /nfs/dbraw/zinc/20/70/72/175207072.db2.gz BMTWSRVVAKNAKC-SNVBAGLBSA-N 1 0 267.304 2.630 10 5 CFBERO CC[NH+](CC)C[C@H](C)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000044572433 175209910 /nfs/dbraw/zinc/20/99/10/175209910.db2.gz PAZYNWACOHTNNJ-NSHDSACASA-N 1 0 281.356 2.746 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229595398 274420511 /nfs/dbraw/zinc/42/05/11/274420511.db2.gz GCUWSDCSYRZWQP-WCBMZHEXSA-N 1 0 269.732 2.801 10 5 CFBERO CC[NH2+]CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000130013612 276264558 /nfs/dbraw/zinc/26/45/58/276264558.db2.gz BAVRGJTYHRQOGU-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO C[NH2+]CCC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000094663356 277266193 /nfs/dbraw/zinc/26/61/93/277266193.db2.gz LOVMJOFFFIGCOE-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CCOc1cc(N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320737848 322437481 /nfs/dbraw/zinc/43/74/81/322437481.db2.gz UJMRFKJDRFFRPY-ZJUUUORDSA-N 1 0 267.329 2.531 10 5 CFBERO [NH3+]C[C@H]1CC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382487225 324429859 /nfs/dbraw/zinc/42/98/59/324429859.db2.gz GYIDCBRJGADBHA-DTWKUNHWSA-N 1 0 269.732 2.788 10 5 CFBERO CC(C)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817649 519651054 /nfs/dbraw/zinc/65/10/54/519651054.db2.gz MYYNENKUUVWSJO-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO CCCCC[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813326 520152978 /nfs/dbraw/zinc/15/29/78/520152978.db2.gz COGVTIGAURNVBI-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO CCC(CC)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000050113414 521553912 /nfs/dbraw/zinc/55/39/12/521553912.db2.gz QIZHKPPRAUKLNG-UHFFFAOYSA-N 1 0 280.368 2.886 10 5 CFBERO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050812871 521613044 /nfs/dbraw/zinc/61/30/44/521613044.db2.gz IFHWSYGYSVPKTJ-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289279 519727411 /nfs/dbraw/zinc/72/74/11/519727411.db2.gz ZOFPYUMOOXMUSS-UHFFFAOYSA-N 1 0 294.351 2.651 10 5 CFBERO CC(C)C[C@@H](CN(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049555705 519775625 /nfs/dbraw/zinc/77/56/25/519775625.db2.gz NJRURAUTJHZJOJ-HNNXBMFYSA-N 1 0 293.411 2.703 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197424 519814781 /nfs/dbraw/zinc/81/47/81/519814781.db2.gz DUQNSNAPPRSLPY-JSGCOSHPSA-N 1 0 279.384 2.832 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCCOC)c1 ZINC000050517118 519951966 /nfs/dbraw/zinc/95/19/66/519951966.db2.gz LFMOHSWNCIIJKT-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000061270492 520068065 /nfs/dbraw/zinc/06/80/65/520068065.db2.gz SVPFHDNUTBXKJI-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CCOc1cc(N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070171196 520750208 /nfs/dbraw/zinc/75/02/08/520750208.db2.gz QPLYXLCNOXRGOV-GFCCVEGCSA-N 1 0 293.367 2.559 10 5 CFBERO CC[N@@H+]1CC[C@H](CNc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700751 521717987 /nfs/dbraw/zinc/71/79/87/521717987.db2.gz CQHNPDMQJZWHGE-GFCCVEGCSA-N 1 0 263.341 2.657 10 5 CFBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Br ZINC000082579484 522640224 /nfs/dbraw/zinc/64/02/24/522640224.db2.gz FDKAVJLFUSNLMA-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050370294 523981393 /nfs/dbraw/zinc/98/13/93/523981393.db2.gz LVTACBFRRPMUOU-BPNCWPANSA-N 1 0 264.325 2.813 10 5 CFBERO C[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000157894282 524097043 /nfs/dbraw/zinc/09/70/43/524097043.db2.gz PNGHORGEUQHMDM-IINYFYTJSA-N 1 0 297.786 2.807 10 5 CFBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000309466498 524172638 /nfs/dbraw/zinc/17/26/38/524172638.db2.gz SMFGKPUAJCTBEG-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO Cc1cc(C)c(OCCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000050441891 524310215 /nfs/dbraw/zinc/31/02/15/524310215.db2.gz KGHBMJQNVFHTRA-UHFFFAOYSA-N 1 0 266.341 2.979 10 5 CFBERO Cc1cc(C)c(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050441896 524311353 /nfs/dbraw/zinc/31/13/53/524311353.db2.gz YOELQIUJVGWESH-LBPRGKRZSA-N 1 0 264.325 2.590 10 5 CFBERO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049553770 524479466 /nfs/dbraw/zinc/47/94/66/524479466.db2.gz QEBJGECXAZZZJG-RYUDHWBXSA-N 1 0 265.357 2.586 10 5 CFBERO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c([N+](=O)[O-])cc1C ZINC000050439780 525214137 /nfs/dbraw/zinc/21/41/37/525214137.db2.gz JFLLUVJJASXESM-GFCCVEGCSA-N 1 0 279.340 2.524 10 5 CFBERO Cc1ccc(NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000061701144 525279847 /nfs/dbraw/zinc/27/98/47/525279847.db2.gz PMYKUSBJUCBJSG-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO Cc1cnc(N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000155835568 526097087 /nfs/dbraw/zinc/09/70/87/526097087.db2.gz WTRRZSQSVDPJAN-GFCCVEGCSA-N 1 0 278.356 2.618 10 5 CFBERO [NH2+]=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000052047353 526826913 /nfs/dbraw/zinc/82/69/13/526826913.db2.gz IEQSOTNDEZTHAA-UHFFFAOYSA-N 1 0 276.340 2.541 10 5 CFBERO Cc1sc(C[C@H](C)[NH3+])nc1-c1cccc([N+](=O)[O-])c1 ZINC000054160927 526878400 /nfs/dbraw/zinc/87/84/00/526878400.db2.gz XTWRQWNPPZZVDY-QMMMGPOBSA-N 1 0 277.349 2.916 10 5 CFBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000148806541 527212051 /nfs/dbraw/zinc/21/20/51/527212051.db2.gz PAXFSMBOYWDBTN-VIFPVBQESA-N 1 0 289.257 2.541 10 5 CFBERO NNc1ccc(COc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000051148349 527278891 /nfs/dbraw/zinc/27/88/91/527278891.db2.gz DCXDOLLYFFVGLC-UHFFFAOYSA-N 1 0 294.698 2.508 10 5 CFBERO NNc1[nH+]cccc1CSc1ccc([N+](=O)[O-])cc1 ZINC000052731577 527288050 /nfs/dbraw/zinc/28/80/50/527288050.db2.gz XBCPWLWYKATJTG-UHFFFAOYSA-N 1 0 276.321 2.568 10 5 CFBERO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000157910983 527329170 /nfs/dbraw/zinc/32/91/70/527329170.db2.gz GMLYAQDUUCLXAC-NEPJUHHUSA-N 1 0 295.770 2.575 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172021055 527332723 /nfs/dbraw/zinc/33/27/23/527332723.db2.gz QMLJZMAXXYTSDJ-CYBMUJFWSA-N 1 0 295.770 2.528 10 5 CFBERO [NH3+][C@H]1CCCCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000063214237 527395070 /nfs/dbraw/zinc/39/50/70/527395070.db2.gz KZHWMSZWHMXUEQ-WDEREUQCSA-N 1 0 267.304 2.806 10 5 CFBERO [NH3+]C1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051693628 618048875 /nfs/dbraw/zinc/04/88/75/618048875.db2.gz NOVKGYVZBGCLSH-UHFFFAOYSA-N 1 0 286.335 2.825 10 5 CFBERO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261629256 619181628 /nfs/dbraw/zinc/18/16/28/619181628.db2.gz VRMBXKSUZWLUBQ-GXSJLCMTSA-N 1 0 267.304 2.582 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000262574238 620011396 /nfs/dbraw/zinc/01/13/96/620011396.db2.gz XVUMNPFSWBABLE-AWEZNQCLSA-N 1 0 298.346 2.597 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000089108408 620019354 /nfs/dbraw/zinc/01/93/54/620019354.db2.gz VUYYVATXCBHOJU-CABZTGNLSA-N 1 0 267.304 2.663 10 5 CFBERO COc1cc(N[C@H]2CCCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860586 623122584 /nfs/dbraw/zinc/12/25/84/623122584.db2.gz GNCROTSKMWEVBT-ONGXEEELSA-N 1 0 297.330 2.672 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000229595491 623213183 /nfs/dbraw/zinc/21/31/83/623213183.db2.gz ZWYHTDBMTWXRHV-GZMMTYOYSA-N 1 0 269.732 2.801 10 5 CFBERO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000231042193 623319641 /nfs/dbraw/zinc/31/96/41/623319641.db2.gz ROIXPFBAMIDTJG-KGLIPLIRSA-N 1 0 278.352 2.544 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000110798047 634809054 /nfs/dbraw/zinc/80/90/54/634809054.db2.gz ICPAYBZVWJFEMK-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089386935 650840181 /nfs/dbraw/zinc/84/01/81/650840181.db2.gz QWKSUCFEWUYVFF-YPMHNXCESA-N 1 0 291.351 2.607 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000213710787 645538029 /nfs/dbraw/zinc/53/80/29/645538029.db2.gz KFNCCQBHRHYCFK-SNVBAGLBSA-N 1 0 297.355 2.541 10 5 CFBERO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000133176676 646048531 /nfs/dbraw/zinc/04/85/31/646048531.db2.gz JFIASPZLVCCBSY-JTQLQIEISA-N 1 0 289.257 2.763 10 5 CFBERO CC(C)N(C(=O)Oc1cccnc1C[N+](C)(C)C)C(C)C ZINC000013232497 717106840 /nfs/dbraw/zinc/10/68/40/717106840.db2.gz BJWFDQVSROWVOB-UHFFFAOYSA-N 1 0 294.419 2.905 10 5 CFBERO CCOc1cccc(N2CC[C@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000135058246 347903707 /nfs/dbraw/zinc/90/37/07/347903707.db2.gz MNXKNFNWVCGECW-NEPJUHHUSA-N 1 0 293.367 2.557 10 5 CFBERO [NH3+]CCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000166594979 348042564 /nfs/dbraw/zinc/04/25/64/348042564.db2.gz GXKARSPICGVIAO-UHFFFAOYSA-N 1 0 272.304 2.675 10 5 CFBERO CC(C)[N@@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086844225 179354776 /nfs/dbraw/zinc/35/47/76/179354776.db2.gz AJEXVQQCRSFVNN-OAHLLOKOSA-N 1 0 291.395 2.947 10 5 CFBERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000320442193 348436632 /nfs/dbraw/zinc/43/66/32/348436632.db2.gz ZYFBQGILPWDHNZ-BDAKNGLRSA-N 1 0 255.293 2.580 10 5 CFBERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000320442206 348436740 /nfs/dbraw/zinc/43/67/40/348436740.db2.gz ZYFBQGILPWDHNZ-IUCAKERBSA-N 1 0 255.293 2.580 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000321000590 348437460 /nfs/dbraw/zinc/43/74/60/348437460.db2.gz ZNMKPFXBJJVDHI-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO CC[C@@](C)(C[NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000087931367 179525906 /nfs/dbraw/zinc/52/59/06/179525906.db2.gz MLXCGXCHGOYBIC-CYBMUJFWSA-N 1 0 252.314 2.521 10 5 CFBERO O=[N+]([O-])c1cc(F)c(NCCC2CC[NH2+]CC2)c(F)c1 ZINC000593233180 349232844 /nfs/dbraw/zinc/23/28/44/349232844.db2.gz LNLLVVDAJQBFTI-UHFFFAOYSA-N 1 0 285.294 2.675 10 5 CFBERO CCn1cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000091025846 180089352 /nfs/dbraw/zinc/08/93/52/180089352.db2.gz NMRFTIDIAPXPLP-UHFFFAOYSA-N 1 0 273.336 2.749 10 5 CFBERO Cc1cccc(N[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000600963621 350638942 /nfs/dbraw/zinc/63/89/42/350638942.db2.gz FFCJEATYFQQBKN-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000600955948 350636214 /nfs/dbraw/zinc/63/62/14/350636214.db2.gz KHUVGJNBZHPLOM-OKILXGFUSA-N 1 0 295.770 2.684 10 5 CFBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600958062 350637001 /nfs/dbraw/zinc/63/70/01/350637001.db2.gz ZTBSAKKROPFOJQ-IONNQARKSA-N 1 0 289.257 2.776 10 5 CFBERO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183122587 189347191 /nfs/dbraw/zinc/34/71/91/189347191.db2.gz WKEUIJPCLNUSAP-WFASDCNBSA-N 1 0 294.351 2.521 10 5 CFBERO [NH3+]C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000236221636 189833052 /nfs/dbraw/zinc/83/30/52/189833052.db2.gz LVCNVKSWAPMLSH-LBPRGKRZSA-N 1 0 267.304 2.663 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120026 373436893 /nfs/dbraw/zinc/43/68/93/373436893.db2.gz OUTRLXSWBMTFBN-NSHDSACASA-N 1 0 267.304 2.630 10 5 CFBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000063171661 373790134 /nfs/dbraw/zinc/79/01/34/373790134.db2.gz HRNLFTXDMOKLTI-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000092616057 375131099 /nfs/dbraw/zinc/13/10/99/375131099.db2.gz LYHQUEQBJYNZHS-OAHLLOKOSA-N 1 0 289.379 2.573 10 5 CFBERO CC(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000094420333 375358604 /nfs/dbraw/zinc/35/86/04/375358604.db2.gz YWRBDKOVGYNLRJ-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO O=[N+]([O-])c1ccc2sc(OC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092071 375412856 /nfs/dbraw/zinc/41/28/56/375412856.db2.gz LEBMAXIXGANEHO-SECBINFHSA-N 1 0 293.348 2.725 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092195 375413329 /nfs/dbraw/zinc/41/33/29/375413329.db2.gz XFAYCWBGILXOPS-VIFPVBQESA-N 1 0 293.348 2.970 10 5 CFBERO Cc1cc(NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000129475419 377432415 /nfs/dbraw/zinc/43/24/15/377432415.db2.gz HBLXMRQINCVCOG-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000175340377 380047174 /nfs/dbraw/zinc/04/71/74/380047174.db2.gz ZHDMRSBOUYAESV-OAHLLOKOSA-N 1 0 291.395 2.819 10 5 CFBERO C[C@H](C[NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000336812981 380673527 /nfs/dbraw/zinc/67/35/27/380673527.db2.gz BJNFEWUVMRGSES-SSDOTTSWSA-N 1 0 277.246 2.620 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512268 381655117 /nfs/dbraw/zinc/65/51/17/381655117.db2.gz RLFASHYRUKYUSS-LBPRGKRZSA-N 1 0 293.367 2.524 10 5 CFBERO COc1cccc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185552245 381663608 /nfs/dbraw/zinc/66/36/08/381663608.db2.gz WRAZUYASXZTYBO-AAEUAGOBSA-N 1 0 293.367 2.744 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958229 382202121 /nfs/dbraw/zinc/20/21/21/382202121.db2.gz OEXJHZIRPMVRMO-DZGCQCFKSA-N 1 0 289.379 2.966 10 5 CFBERO CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457783 382614309 /nfs/dbraw/zinc/61/43/09/382614309.db2.gz RQWUSHARGQGJMR-UKRRQHHQSA-N 1 0 277.368 2.730 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860910 382841762 /nfs/dbraw/zinc/84/17/62/382841762.db2.gz YVODMCBKLAHVKB-UHFFFAOYSA-N 1 0 285.319 2.672 10 5 CFBERO C[C@@]1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000235382334 382880094 /nfs/dbraw/zinc/88/00/94/382880094.db2.gz KYWPIDMLXRRHDO-CYBMUJFWSA-N 1 0 285.294 2.675 10 5 CFBERO Cc1cnc(NC[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262510219 383624497 /nfs/dbraw/zinc/62/44/97/383624497.db2.gz MWFCOQFPGXKTAE-CQSZACIVSA-N 1 0 298.346 2.597 10 5 CFBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000249726397 131122166 /nfs/dbraw/zinc/12/21/66/131122166.db2.gz OPFXLHVFQMLPSH-CORIIIEPSA-N 1 0 278.352 2.857 10 5 CFBERO Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313201569 393522049 /nfs/dbraw/zinc/52/20/49/393522049.db2.gz YTHLEKBOWBLHOX-YMTOWFKASA-N 1 0 281.331 2.606 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420191105 394090794 /nfs/dbraw/zinc/09/07/94/394090794.db2.gz RDXWFONPGXEUHK-LBPRGKRZSA-N 1 0 274.324 2.538 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C ZINC000130522816 394113334 /nfs/dbraw/zinc/11/33/34/394113334.db2.gz VLIZDAZYQSSTLM-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc(C)cc1[N+](=O)[O-] ZINC000130547707 394114204 /nfs/dbraw/zinc/11/42/04/394114204.db2.gz BLYUOVKPOOSQFL-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO C[NH+](C)CCNC(=O)c1ccc2nc3ccccc3cc2c1 ZINC000005140443 170070333 /nfs/dbraw/zinc/07/03/33/170070333.db2.gz UONBXWFMVOLGBH-UHFFFAOYSA-N 1 0 293.370 2.679 10 5 CFBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037018382 172880125 /nfs/dbraw/zinc/88/01/25/172880125.db2.gz XLXLRZBNWYOWOH-HQJQHLMTSA-N 1 0 285.731 2.560 10 5 CFBERO CCC(CC)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339122 173140100 /nfs/dbraw/zinc/14/01/00/173140100.db2.gz XODGHNFVGDZGHS-UHFFFAOYSA-N 1 0 264.325 2.898 10 5 CFBERO COc1ccc(NC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029325 174019427 /nfs/dbraw/zinc/01/94/27/174019427.db2.gz IDZAOYJRQKVEMJ-GFCCVEGCSA-N 1 0 293.367 2.890 10 5 CFBERO [NH3+]Cc1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000038080504 174089736 /nfs/dbraw/zinc/08/97/36/174089736.db2.gz VXRISOVVHZENFB-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080567 174090005 /nfs/dbraw/zinc/09/00/05/174090005.db2.gz OSBARKHZDXLQON-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO CCN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502641 174298842 /nfs/dbraw/zinc/29/88/42/174298842.db2.gz WGWXAAFHSKXCJJ-LBPRGKRZSA-N 1 0 297.786 2.822 10 5 CFBERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502585 174299000 /nfs/dbraw/zinc/29/90/00/174299000.db2.gz ZSWVFMJHDOXKLH-STQMWFEESA-N 1 0 277.368 2.730 10 5 CFBERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040502553 174299072 /nfs/dbraw/zinc/29/90/72/174299072.db2.gz ODKCITUNWCCQMA-JSGCOSHPSA-N 1 0 277.368 2.730 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673594 174371945 /nfs/dbraw/zinc/37/19/45/174371945.db2.gz TUUBTCSCKFBJOC-LLVKDONJSA-N 1 0 286.335 2.649 10 5 CFBERO C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000043474329 175054335 /nfs/dbraw/zinc/05/43/35/175054335.db2.gz TYZCZHPXUGJJJQ-UHFFFAOYSA-N 1 0 250.229 2.713 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCC[C@H]1CCCC[NH2+]1 ZINC000043499256 175058180 /nfs/dbraw/zinc/05/81/80/175058180.db2.gz ZJZJRFLKQRHYBS-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO C[C@@H]1CCC[C@@](CNc2cc([N+](=O)[O-])ccn2)([NH+](C)C)C1 ZINC000043567986 175067450 /nfs/dbraw/zinc/06/74/50/175067450.db2.gz WKVPELPBYFNBFD-IUODEOHRSA-N 1 0 292.383 2.912 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588707 175073173 /nfs/dbraw/zinc/07/31/73/175073173.db2.gz VHPXOUNDTWTQDN-LBPRGKRZSA-N 1 0 291.351 2.622 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c2ccncc21 ZINC000044502899 175186171 /nfs/dbraw/zinc/18/61/71/175186171.db2.gz PMZOFGQELBTMMG-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000044503239 175186399 /nfs/dbraw/zinc/18/63/99/175186399.db2.gz UNLRVVYTEDUAQC-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561401 175205091 /nfs/dbraw/zinc/20/50/91/175205091.db2.gz LYPSBBKAOKWDIU-SWLSCSKDSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562108 175205460 /nfs/dbraw/zinc/20/54/60/175205460.db2.gz PUMOSRNLICJBJO-STQMWFEESA-N 1 0 277.368 2.730 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CNCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000045134933 175312504 /nfs/dbraw/zinc/31/25/04/175312504.db2.gz IMICPBIDJMGGDV-LBPRGKRZSA-N 1 0 295.358 2.554 10 5 CFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071189066 176064594 /nfs/dbraw/zinc/06/45/94/176064594.db2.gz SGPFVLCCEWKICQ-NSHDSACASA-N 1 0 297.786 2.632 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235309820 274420082 /nfs/dbraw/zinc/42/00/82/274420082.db2.gz PYBMCSQZLAZTNG-WCBMZHEXSA-N 1 0 269.732 2.801 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000229606678 274420507 /nfs/dbraw/zinc/42/05/07/274420507.db2.gz HNQQHASUQKSBSE-GXFFZTMASA-N 1 0 286.335 2.695 10 5 CFBERO C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000235657684 278369616 /nfs/dbraw/zinc/36/96/16/278369616.db2.gz RANKNQXPFIQAFK-UWVGGRQHSA-N 1 0 283.759 2.669 10 5 CFBERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382420781 324428227 /nfs/dbraw/zinc/42/82/27/324428227.db2.gz KBNRVEJUILYROX-VHSXEESVSA-N 1 0 267.304 2.582 10 5 CFBERO [NH3+][C@H]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000382486124 324430061 /nfs/dbraw/zinc/43/00/61/324430061.db2.gz ZNMDNGCURHNBNZ-JGVFFNPUSA-N 1 0 271.267 2.555 10 5 CFBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000389723184 324520508 /nfs/dbraw/zinc/52/05/08/324520508.db2.gz INQBFBCSEILMRB-LDYMZIIASA-N 1 0 269.732 2.658 10 5 CFBERO CC(C)[NH2+]CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000583431292 325287058 /nfs/dbraw/zinc/28/70/58/325287058.db2.gz LCEAAMLNRRAXLA-UHFFFAOYSA-N 1 0 273.283 2.673 10 5 CFBERO CCCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050812313 520479276 /nfs/dbraw/zinc/47/92/76/520479276.db2.gz WIJFNWXOCAKQJL-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO CCCCOc1cc(C[NH2+]CC)ccc1[N+](=O)[O-] ZINC000050517005 520849103 /nfs/dbraw/zinc/84/91/03/520849103.db2.gz RNUWDHAXLGDDGM-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO CC(C)(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000069236477 518768010 /nfs/dbraw/zinc/76/80/10/518768010.db2.gz YAUZVWIQQYNDJU-UHFFFAOYSA-N 1 0 274.324 2.873 10 5 CFBERO CC(C)(C)c1cc(NN)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051152777 519006022 /nfs/dbraw/zinc/00/60/22/519006022.db2.gz GNOFJDBLHYXGEN-UHFFFAOYSA-N 1 0 287.323 2.635 10 5 CFBERO CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259115 519726781 /nfs/dbraw/zinc/72/67/81/519726781.db2.gz ORIBGXZBELOSBD-UHFFFAOYSA-N 1 0 296.367 2.897 10 5 CFBERO CC(C)[C@H](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000061686082 519816615 /nfs/dbraw/zinc/81/66/15/519816615.db2.gz FISAJMROKPSLJK-SKDRFNHKSA-N 1 0 254.305 2.896 10 5 CFBERO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288960 519947222 /nfs/dbraw/zinc/94/72/22/519947222.db2.gz CQKVQMQBXSNZQJ-UHFFFAOYSA-N 1 0 294.351 2.652 10 5 CFBERO CC[NH2+]Cc1nccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051004830 520023077 /nfs/dbraw/zinc/02/30/77/520023077.db2.gz MVBPCWSQIJGCTF-UHFFFAOYSA-N 1 0 294.742 2.603 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC000050618985 520080457 /nfs/dbraw/zinc/08/04/57/520080457.db2.gz WZRSXWQHMOAEMP-LURJTMIESA-N 1 0 298.249 2.594 10 5 CFBERO CCCNc1ccc(C[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000050812793 520154975 /nfs/dbraw/zinc/15/49/75/520154975.db2.gz ISGJIRPLFWMCLE-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CCNc1ccc(C[N@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000050814582 520298793 /nfs/dbraw/zinc/29/87/93/520298793.db2.gz PZNPTHBFZSQHIX-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO CCNc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815911 520299674 /nfs/dbraw/zinc/29/96/74/520299674.db2.gz VCUKOBGMPYZCLM-ZDUSSCGKSA-N 1 0 293.367 2.637 10 5 CFBERO Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000097829700 534492110 /nfs/dbraw/zinc/49/21/10/534492110.db2.gz FFMIRGWFGSMGHS-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149459393 521048815 /nfs/dbraw/zinc/04/88/15/521048815.db2.gz XZUKFRUFKKCHII-VIFPVBQESA-N 1 0 272.736 2.573 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000310810707 524455298 /nfs/dbraw/zinc/45/52/98/524455298.db2.gz CBBUUTJSGNABFT-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000311003880 524457393 /nfs/dbraw/zinc/45/73/93/524457393.db2.gz NSTAQWYIEJWJFZ-QMMMGPOBSA-N 1 0 272.736 2.573 10 5 CFBERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149955 524595716 /nfs/dbraw/zinc/59/57/16/524595716.db2.gz ATXPPFVVCPXKSW-STQMWFEESA-N 1 0 277.368 2.730 10 5 CFBERO COc1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000063214690 524711974 /nfs/dbraw/zinc/71/19/74/524711974.db2.gz CCAIVWUTKUUHBX-RYUDHWBXSA-N 1 0 279.340 2.675 10 5 CFBERO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000049156495 524938861 /nfs/dbraw/zinc/93/88/61/524938861.db2.gz PHCRANPYEYNRQE-VIFPVBQESA-N 1 0 266.322 2.970 10 5 CFBERO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261796415 525300954 /nfs/dbraw/zinc/30/09/54/525300954.db2.gz QYMACLICUMNAMQ-MNOVXSKESA-N 1 0 281.331 2.842 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000061686086 525464302 /nfs/dbraw/zinc/46/43/02/525464302.db2.gz HEQWVYJPHFQMPD-MFKMUULPSA-N 1 0 266.341 2.765 10 5 CFBERO CSC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069439798 525683313 /nfs/dbraw/zinc/68/33/13/525683313.db2.gz XZGPICCJQINDTB-SNVBAGLBSA-N 1 0 254.355 2.684 10 5 CFBERO Cc1c(N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000062724040 525873925 /nfs/dbraw/zinc/87/39/25/525873925.db2.gz BZPRRYOAGDVLIT-JTQLQIEISA-N 1 0 251.330 2.655 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000050441163 526070403 /nfs/dbraw/zinc/07/04/03/526070403.db2.gz QAEJUKIWKCGBHS-GFCCVEGCSA-N 1 0 288.307 2.768 10 5 CFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246182319 526078646 /nfs/dbraw/zinc/07/86/46/526078646.db2.gz KWFQXARKAWNMFX-BBRMVZONSA-N 1 0 289.379 2.826 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159486571 527209710 /nfs/dbraw/zinc/20/97/10/527209710.db2.gz VPGDSGYCFAAJBL-NSHDSACASA-N 1 0 283.759 2.561 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000089108874 527231435 /nfs/dbraw/zinc/23/14/35/527231435.db2.gz ZAHIJNWJGUCPEA-KOLCDFICSA-N 1 0 267.304 2.663 10 5 CFBERO O=[N+]([O-])c1ccc(NCCC[NH2+]Cc2cccnc2)cc1 ZINC000063197195 527363336 /nfs/dbraw/zinc/36/33/36/527363336.db2.gz XRLQJIYIBJNXOM-UHFFFAOYSA-N 1 0 286.335 2.582 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000050470253 527372798 /nfs/dbraw/zinc/37/27/98/527372798.db2.gz ANGPODUAHGBCSN-VIFPVBQESA-N 1 0 270.716 2.627 10 5 CFBERO [NH3+][C@H](CC[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000069395891 527385718 /nfs/dbraw/zinc/38/57/18/527385718.db2.gz AURRXFDTUHRPHL-KGLIPLIRSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1cccc(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765159 527391869 /nfs/dbraw/zinc/39/18/69/527391869.db2.gz BISIWLLXUWKNEX-LLVKDONJSA-N 1 0 250.298 2.506 10 5 CFBERO CC[C@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175807 617870095 /nfs/dbraw/zinc/87/00/95/617870095.db2.gz KDKMXXGOGUKAFQ-RKDXNWHRSA-N 1 0 287.113 2.528 10 5 CFBERO Cc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050163931 618082646 /nfs/dbraw/zinc/08/26/46/618082646.db2.gz RHBVRRNWMUZGFS-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000313061961 618974123 /nfs/dbraw/zinc/97/41/23/618974123.db2.gz UJDYOWOHQLXYCO-HZMBPMFUSA-N 1 0 295.770 2.813 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228550858 623148924 /nfs/dbraw/zinc/14/89/24/623148924.db2.gz VRVCLZMKSOHMLG-YUSALJHKSA-N 1 0 295.770 2.812 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000229595499 623213604 /nfs/dbraw/zinc/21/36/04/623213604.db2.gz ZWYHTDBMTWXRHV-LDYMZIIASA-N 1 0 269.732 2.801 10 5 CFBERO CCOc1cccc(N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000229611013 623215153 /nfs/dbraw/zinc/21/51/53/623215153.db2.gz NOJWPMPDGYHWLU-QWRGUYRKSA-N 1 0 279.340 2.546 10 5 CFBERO CCOc1cc(N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089092220 623532443 /nfs/dbraw/zinc/53/24/43/623532443.db2.gz GADRIXAHXWVDQM-CMPLNLGQSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171330 625279102 /nfs/dbraw/zinc/27/91/02/625279102.db2.gz PEBBMKPWJIVWDG-SNVBAGLBSA-N 1 0 283.759 2.813 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000084439818 626015684 /nfs/dbraw/zinc/01/56/84/626015684.db2.gz RFMVLUUMHVLDBL-LBPRGKRZSA-N 1 0 284.743 2.907 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000111830672 635190923 /nfs/dbraw/zinc/19/09/23/635190923.db2.gz OJWPVAZVHGVDAV-SECBINFHSA-N 1 0 255.293 2.519 10 5 CFBERO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000124123765 641847521 /nfs/dbraw/zinc/84/75/21/641847521.db2.gz CWVJKRDMYPHDBA-YGRLFVJLSA-N 1 0 297.786 2.630 10 5 CFBERO [NH3+]CCC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000125210994 642556400 /nfs/dbraw/zinc/55/64/00/642556400.db2.gz TXRZQQCSQZZSGW-UHFFFAOYSA-N 1 0 283.759 2.813 10 5 CFBERO C[N+](C)(C)c1cccc(OC(=O)c2ccc(N)cc2)c1 ZINC000001998241 717091228 /nfs/dbraw/zinc/09/12/28/717091228.db2.gz BVTUNUAVZBQSOD-UHFFFAOYSA-O 1 0 271.340 2.685 10 5 CFBERO CCc1ccc(OC(=O)N(C)C)c([N+](C)(C)C)c1 ZINC000001852185 717090674 /nfs/dbraw/zinc/09/06/74/717090674.db2.gz VNHSCBMUMTVLAI-UHFFFAOYSA-N 1 0 251.350 2.506 10 5 CFBERO CC[N+](CC)(CC)Cc1ncccc1OC(=O)N(C)C ZINC000013232888 717108019 /nfs/dbraw/zinc/10/80/19/717108019.db2.gz PHYPOCNWIFWFTA-UHFFFAOYSA-N 1 0 280.392 2.519 10 5 CFBERO C[N+]1(CCOc2cccc3c2OCCO3)CCCCCC1 ZINC000031622899 717120304 /nfs/dbraw/zinc/12/03/04/717120304.db2.gz NDGZPGHSPWDYMT-UHFFFAOYSA-N 1 0 292.399 2.857 10 5 CFBERO COc1ccc2c(=O)c(C)c(C)oc2c1[N+](C)(C)C ZINC000604971579 717185334 /nfs/dbraw/zinc/18/53/34/717185334.db2.gz PRSVYVANULDBEL-UHFFFAOYSA-N 1 0 262.329 2.615 10 5 CFBERO CCOC1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000124782323 187154395 /nfs/dbraw/zinc/15/43/95/187154395.db2.gz NUESYFBGVGXLQY-PWQPVHBWSA-N 1 0 264.325 2.813 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000125219653 187175137 /nfs/dbraw/zinc/17/51/37/187175137.db2.gz XRRXPUTVTPHGPV-UHFFFAOYSA-N 1 0 271.748 2.669 10 5 CFBERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)c(F)cc1[N+](=O)[O-] ZINC000596030220 349778497 /nfs/dbraw/zinc/77/84/97/349778497.db2.gz OYYOYRSQRNORFZ-LLVKDONJSA-N 1 0 269.320 2.828 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]([NH3+])C(C)C)c1 ZINC000596030397 349778671 /nfs/dbraw/zinc/77/86/71/349778671.db2.gz XHFPASQZPPRRNI-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO C[NH2+]C[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596032811 349779247 /nfs/dbraw/zinc/77/92/47/349779247.db2.gz ORSJFOCVOPUBFE-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO C[NH2+]C[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596032812 349779451 /nfs/dbraw/zinc/77/94/51/349779451.db2.gz ORSJFOCVOPUBFE-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO CCOc1cccc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000135049920 347903447 /nfs/dbraw/zinc/90/34/47/347903447.db2.gz MXPZCIOAIQBFEG-LLVKDONJSA-N 1 0 279.340 2.548 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320938410 348437556 /nfs/dbraw/zinc/43/75/56/348437556.db2.gz SXFSLAVPDFTFTG-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320959413 348437649 /nfs/dbraw/zinc/43/76/49/348437649.db2.gz VMEYGFCGMLTYJC-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313129871 348422144 /nfs/dbraw/zinc/42/21/44/348422144.db2.gz QDALYLOCJXCXIF-PWSUYJOCSA-N 1 0 281.331 2.606 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000089143245 179721266 /nfs/dbraw/zinc/72/12/66/179721266.db2.gz RVFLLWQNOYWDOE-GZMMTYOYSA-N 1 0 285.294 2.802 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000592468267 349126061 /nfs/dbraw/zinc/12/60/61/349126061.db2.gz DXKOFLMJGMOVJW-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000600962706 350638551 /nfs/dbraw/zinc/63/85/51/350638551.db2.gz KCRWMNFCRSERAL-JGVFFNPUSA-N 1 0 289.257 2.540 10 5 CFBERO CCOc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000600954412 350636534 /nfs/dbraw/zinc/63/65/34/350636534.db2.gz ASUFNGLTDNRZGE-ZYHUDNBSSA-N 1 0 279.340 2.546 10 5 CFBERO CCOc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051290 186348252 /nfs/dbraw/zinc/34/82/52/186348252.db2.gz TUUISKCFQDYASL-VXGBXAGGSA-N 1 0 293.367 2.794 10 5 CFBERO [NH3+][C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000123741336 187107410 /nfs/dbraw/zinc/10/74/10/187107410.db2.gz YLPNOTIRRFHEGZ-SECBINFHSA-N 1 0 289.257 2.763 10 5 CFBERO CC(C)C[N@@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301821650 201217672 /nfs/dbraw/zinc/21/76/72/201217672.db2.gz GUBBPVQKLVWKPL-LBPRGKRZSA-N 1 0 278.356 2.522 10 5 CFBERO O=[N+]([O-])c1ccc2[nH]c(CCC[NH+]3CCCCC3)nc2c1 ZINC000033865100 372502976 /nfs/dbraw/zinc/50/29/76/372502976.db2.gz AODRWPRKBKHBHG-UHFFFAOYSA-N 1 0 288.351 2.890 10 5 CFBERO [NH3+]CC[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171206 374137234 /nfs/dbraw/zinc/13/72/34/374137234.db2.gz JVBQCVSZAKJIEH-SNVBAGLBSA-N 1 0 283.759 2.813 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000070447883 374177195 /nfs/dbraw/zinc/17/71/95/374177195.db2.gz SWTFLRHAXXIJAN-NSHDSACASA-N 1 0 274.324 2.538 10 5 CFBERO O=[N+]([O-])c1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000079416742 374609614 /nfs/dbraw/zinc/60/96/14/374609614.db2.gz CZJBIMSARUUJDX-QGZVFWFLSA-N 1 0 297.358 2.589 10 5 CFBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000104214314 375775110 /nfs/dbraw/zinc/77/51/10/375775110.db2.gz KRZZMWRNMOPJJO-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134253205 377997046 /nfs/dbraw/zinc/99/70/46/377997046.db2.gz TYGHUQLJJWAPAJ-LDYMZIIASA-N 1 0 270.716 2.515 10 5 CFBERO CCC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000136768669 378209501 /nfs/dbraw/zinc/20/95/01/378209501.db2.gz DHKOYKBSCWCBRQ-SMDDNHRTSA-N 1 0 293.367 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152554629 378427021 /nfs/dbraw/zinc/42/70/21/378427021.db2.gz FAOOTHOJCIVWSW-INIZCTEOSA-N 1 0 299.330 2.643 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000175354821 380050262 /nfs/dbraw/zinc/05/02/62/380050262.db2.gz NZKHSIZVFSZBCQ-CQSZACIVSA-N 1 0 277.368 2.511 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CCCC[NH3+] ZINC000336793749 380640954 /nfs/dbraw/zinc/64/09/54/380640954.db2.gz YEIUCPZJIAWOME-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO [NH3+]CC[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000383409961 382543297 /nfs/dbraw/zinc/54/32/97/382543297.db2.gz WLZOBSDTDXVCHL-SSDOTTSWSA-N 1 0 279.674 2.643 10 5 CFBERO [NH3+]C[C@@H]1CC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382487224 382531821 /nfs/dbraw/zinc/53/18/21/382531821.db2.gz GYIDCBRJGADBHA-BDAKNGLRSA-N 1 0 269.732 2.788 10 5 CFBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000389723182 382616555 /nfs/dbraw/zinc/61/65/55/382616555.db2.gz INQBFBCSEILMRB-KWQFWETISA-N 1 0 269.732 2.658 10 5 CFBERO [NH3+]C1CCC(Nc2nc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000095077186 184935656 /nfs/dbraw/zinc/93/56/56/184935656.db2.gz RZRPDHVRQUSYJM-UHFFFAOYSA-N 1 0 292.364 2.886 10 5 CFBERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282403802 195599662 /nfs/dbraw/zinc/59/96/62/195599662.db2.gz YRCIOARQKSDABX-DABQJJPHSA-N 1 0 278.352 2.888 10 5 CFBERO C[C@@H]1C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246926426 131099067 /nfs/dbraw/zinc/09/90/67/131099067.db2.gz GSVMQNLBPQABEQ-LERXQTSPSA-N 1 0 260.337 2.914 10 5 CFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302805690 393495260 /nfs/dbraw/zinc/49/52/60/393495260.db2.gz FRRBWTYEEXWTTF-LLVKDONJSA-N 1 0 295.770 2.841 10 5 CFBERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000336813558 393749667 /nfs/dbraw/zinc/74/96/67/393749667.db2.gz CQECIPNJNLRBDK-SNVBAGLBSA-N 1 0 269.320 2.828 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245515164 292295823 /nfs/dbraw/zinc/29/58/23/292295823.db2.gz DCEMTBWHKLKCAJ-ZFWWWQNUSA-N 1 0 289.379 2.744 10 5 CFBERO OCC[NH+](CCO)Cc1cc2ccccc2c2ccccc12 ZINC000005518201 170107290 /nfs/dbraw/zinc/10/72/90/170107290.db2.gz JENUIKZGHXDKCC-UHFFFAOYSA-N 1 0 295.382 2.780 10 5 CFBERO CC[NH+](CC)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526027 171238870 /nfs/dbraw/zinc/23/88/70/171238870.db2.gz SWAXGRFVLNDJNP-GFCCVEGCSA-N 1 0 265.357 2.587 10 5 CFBERO CCC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021011375 171287343 /nfs/dbraw/zinc/28/73/43/171287343.db2.gz GJUVKFMNVGRDJD-JTQLQIEISA-N 1 0 252.314 2.882 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000021518118 171313982 /nfs/dbraw/zinc/31/39/82/171313982.db2.gz MCFVZMGEXGLVDW-GFCCVEGCSA-N 1 0 281.743 2.754 10 5 CFBERO CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)C ZINC000035414770 172189338 /nfs/dbraw/zinc/18/93/38/172189338.db2.gz WKUZRWSIQOPMIB-UHFFFAOYSA-N 1 0 252.314 2.882 10 5 CFBERO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037291921 173096943 /nfs/dbraw/zinc/09/69/43/173096943.db2.gz ULMIMTHOIGRCNC-VIFPVBQESA-N 1 0 250.254 2.502 10 5 CFBERO O=C(C[NH2+]C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386873 173170063 /nfs/dbraw/zinc/17/00/63/173170063.db2.gz DYSSOOMLEYFSMN-UHFFFAOYSA-N 1 0 297.742 2.719 10 5 CFBERO O=C(C[NH2+]C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386889 173170682 /nfs/dbraw/zinc/17/06/82/173170682.db2.gz AJQKHVYMPZNBFI-UHFFFAOYSA-N 1 0 297.742 2.719 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000038050628 174062027 /nfs/dbraw/zinc/06/20/27/174062027.db2.gz SMQUUABTMLCZOR-ZYHUDNBSSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000038128890 174131879 /nfs/dbraw/zinc/13/18/79/174131879.db2.gz OKKQWEWCKHLOEK-CQSZACIVSA-N 1 0 260.268 2.976 10 5 CFBERO COc1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040623985 174356223 /nfs/dbraw/zinc/35/62/23/174356223.db2.gz LBJWUXVGLDYWKC-LBPRGKRZSA-N 1 0 293.367 2.746 10 5 CFBERO O=[N+]([O-])c1ccccc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471736 175053755 /nfs/dbraw/zinc/05/37/55/175053755.db2.gz VWKFQVVPZONRPG-SNVBAGLBSA-N 1 0 252.339 2.687 10 5 CFBERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000043474023 175054289 /nfs/dbraw/zinc/05/42/89/175054289.db2.gz BUCSQTXMGHITHA-MNOVXSKESA-N 1 0 281.331 2.876 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1OCC[C@H]1CCCC[NH2+]1 ZINC000043499237 175058225 /nfs/dbraw/zinc/05/82/25/175058225.db2.gz YROZZRQDDLCZOD-LLVKDONJSA-N 1 0 268.288 2.645 10 5 CFBERO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3F)n2)CCCC1 ZINC000043571375 175069060 /nfs/dbraw/zinc/06/90/60/175069060.db2.gz XXMYJQACOURJHF-UHFFFAOYSA-N 1 0 292.270 2.512 10 5 CFBERO COc1ccc(C[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000043652669 175085412 /nfs/dbraw/zinc/08/54/12/175085412.db2.gz WVLNWOJJXHKYEQ-DRZSPHRISA-N 1 0 278.352 2.909 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044386861 175170059 /nfs/dbraw/zinc/17/00/59/175170059.db2.gz XTKWXEXQRCUKGN-LBPRGKRZSA-N 1 0 251.330 2.593 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c2ccncc21 ZINC000044502897 175186290 /nfs/dbraw/zinc/18/62/90/175186290.db2.gz PMZOFGQELBTMMG-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NCC1CC[NH2+]CC1 ZINC000044509165 175186956 /nfs/dbraw/zinc/18/69/56/175186956.db2.gz FSQWULFCWGEMJV-UHFFFAOYSA-N 1 0 269.732 2.660 10 5 CFBERO Cc1ccc(NC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000044563164 175206644 /nfs/dbraw/zinc/20/66/44/175206644.db2.gz UTMDWJUMXZRBHE-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO CC(C)[NH2+]CCCc1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732019 175240760 /nfs/dbraw/zinc/24/07/60/175240760.db2.gz NLWTVMREBXTSSL-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CCC[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000044747976 175243379 /nfs/dbraw/zinc/24/33/79/175243379.db2.gz XYNAESRZOHHCCM-NSHDSACASA-N 1 0 276.296 2.753 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CNc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045140365 175315463 /nfs/dbraw/zinc/31/54/63/175315463.db2.gz DCVWTODNBGDIRV-JTQLQIEISA-N 1 0 298.774 2.785 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000070447797 175939540 /nfs/dbraw/zinc/93/95/40/175939540.db2.gz OECDATBUTAGDFI-NSHDSACASA-N 1 0 274.324 2.538 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447886 175939628 /nfs/dbraw/zinc/93/96/28/175939628.db2.gz FWCJTELQNBBZDG-SECBINFHSA-N 1 0 257.721 2.643 10 5 CFBERO C[NH2+]C[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000234389417 277031730 /nfs/dbraw/zinc/03/17/30/277031730.db2.gz QHPUFZNCGZJTQX-SNVBAGLBSA-N 1 0 283.759 2.684 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1 ZINC000094663336 278864839 /nfs/dbraw/zinc/86/48/39/278864839.db2.gz DHQTZXCSFCHBFD-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO CC(C)[NH+](Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000001028749 279465081 /nfs/dbraw/zinc/46/50/81/279465081.db2.gz LHOXOOCMJZTWEN-UHFFFAOYSA-N 1 0 293.323 2.579 10 5 CFBERO Cc1cc(NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000576850128 324668129 /nfs/dbraw/zinc/66/81/29/324668129.db2.gz DYLGDJQDNSAZOC-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815683 519718310 /nfs/dbraw/zinc/71/83/10/519718310.db2.gz XZAWTXMIOIRXMO-UHFFFAOYSA-N 1 0 263.341 2.797 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197427 519793945 /nfs/dbraw/zinc/79/39/45/519793945.db2.gz DUQNSNAPPRSLPY-TZMCWYRMSA-N 1 0 279.384 2.832 10 5 CFBERO CC[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000051041467 519992695 /nfs/dbraw/zinc/99/26/95/519992695.db2.gz PUSMQLVKYRNNFS-UHFFFAOYSA-N 1 0 291.263 2.873 10 5 CFBERO CCCNc1ccc(C[N@H+](CC)CCOC)cc1[N+](=O)[O-] ZINC000050816672 520155313 /nfs/dbraw/zinc/15/53/13/520155313.db2.gz IIDUCVUGNNROEE-UHFFFAOYSA-N 1 0 295.383 2.885 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000050618754 520181881 /nfs/dbraw/zinc/18/18/81/520181881.db2.gz IMNKLEMFDPOBSX-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CCNc1ccc(C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000050792624 520299461 /nfs/dbraw/zinc/29/94/61/520299461.db2.gz MPRQSAIKRADVHD-UHFFFAOYSA-N 1 0 251.330 2.867 10 5 CFBERO CCCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517198 520306967 /nfs/dbraw/zinc/30/69/67/520306967.db2.gz WMCTVYSURJJHPK-UHFFFAOYSA-N 1 0 252.314 2.882 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CC)[C@H](C)COC ZINC000050814983 520331067 /nfs/dbraw/zinc/33/10/67/520331067.db2.gz YCGBPGPIWUWCOL-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO CCC[C@@H]([NH3+])c1noc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000050017519 520725973 /nfs/dbraw/zinc/72/59/73/520725973.db2.gz XGXFMLUQPMYYKJ-SECBINFHSA-N 1 0 298.249 2.723 10 5 CFBERO CCOc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070178350 520750588 /nfs/dbraw/zinc/75/05/88/520750588.db2.gz XNXHJHFYQCMDSE-RISCZKNCSA-N 1 0 293.367 2.557 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700676 521640458 /nfs/dbraw/zinc/64/04/58/521640458.db2.gz YZKURLGKZWFYIL-CYBMUJFWSA-N 1 0 263.341 2.799 10 5 CFBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439833 522302405 /nfs/dbraw/zinc/30/24/05/522302405.db2.gz UQCFLHYWOUAUGJ-AMIZOPFISA-N 1 0 279.340 2.524 10 5 CFBERO C[NH2+][C@@H](C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261573903 522325459 /nfs/dbraw/zinc/32/54/59/522325459.db2.gz WEOISWDJXAVFCL-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO COc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108887 522759122 /nfs/dbraw/zinc/75/91/22/522759122.db2.gz OESPGUKLCAREMV-CMPLNLGQSA-N 1 0 279.340 2.533 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1ccccc1C(N)=[NH2+] ZINC000050505616 522985585 /nfs/dbraw/zinc/98/55/85/522985585.db2.gz GKJAHNSUMNWPBL-UHFFFAOYSA-N 1 0 287.275 2.680 10 5 CFBERO CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812886 523177539 /nfs/dbraw/zinc/17/75/39/523177539.db2.gz AJVGPHQGZQNXFF-GFCCVEGCSA-N 1 0 263.341 2.942 10 5 CFBERO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050818194 523251474 /nfs/dbraw/zinc/25/14/74/523251474.db2.gz ISDHRXQUZBLSSP-UHFFFAOYSA-N 1 0 289.310 2.948 10 5 CFBERO COc1ccc(C[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000061686215 524144300 /nfs/dbraw/zinc/14/43/00/524144300.db2.gz YNOKIYPJUKJZFG-CMPLNLGQSA-N 1 0 266.341 2.765 10 5 CFBERO Cc1cccc(OCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000051920146 524752185 /nfs/dbraw/zinc/75/21/85/524752185.db2.gz SJQNEUATQWXVTO-GFCCVEGCSA-N 1 0 264.325 2.672 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157886519 524841466 /nfs/dbraw/zinc/84/14/66/524841466.db2.gz WHACKKYSTPJQLN-GWCFXTLKSA-N 1 0 297.786 2.950 10 5 CFBERO Cc1c(Cn2ccnc2C[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000051005569 525790859 /nfs/dbraw/zinc/79/08/59/525790859.db2.gz SUJBDKHNAIEKHU-UHFFFAOYSA-N 1 0 288.351 2.646 10 5 CFBERO Cc1c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062724487 525874185 /nfs/dbraw/zinc/87/41/85/525874185.db2.gz ZRBUVTDGVXGUME-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196715 526076563 /nfs/dbraw/zinc/07/65/63/526076563.db2.gz LMAKIPVHXRNURI-YPMHNXCESA-N 1 0 263.341 2.609 10 5 CFBERO NC(=[NH2+])CCCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470388 526816521 /nfs/dbraw/zinc/81/65/21/526816521.db2.gz MEHRNBFZQRNKAO-UHFFFAOYSA-N 1 0 271.704 2.733 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2F)c1 ZINC000050872087 527257966 /nfs/dbraw/zinc/25/79/66/527257966.db2.gz YKUDYENBZHLKSG-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1OC[C@H]1CCC[NH2+]C1 ZINC000051883080 527323506 /nfs/dbraw/zinc/32/35/06/527323506.db2.gz JDTNCZWIOPVBKI-VIFPVBQESA-N 1 0 293.348 2.583 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000236294686 618361750 /nfs/dbraw/zinc/36/17/50/618361750.db2.gz GNGDBCOQPNNJOK-JBLDHEPKSA-N 1 0 295.770 2.812 10 5 CFBERO CC(C)C[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697365 618910931 /nfs/dbraw/zinc/91/09/31/618910931.db2.gz COGFXWKYONNTBH-LLVKDONJSA-N 1 0 276.296 2.691 10 5 CFBERO CCC([NH3+])(CC)CNc1c(F)cccc1[N+](=O)[O-] ZINC000261559593 619171182 /nfs/dbraw/zinc/17/11/82/619171182.db2.gz DTTCWGIONLCSTJ-UHFFFAOYSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229595390 623213227 /nfs/dbraw/zinc/21/32/27/623213227.db2.gz GCUWSDCSYRZWQP-SCZZXKLOSA-N 1 0 269.732 2.801 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229595407 623213590 /nfs/dbraw/zinc/21/35/90/623213590.db2.gz GCUWSDCSYRZWQP-PSASIEDQSA-N 1 0 269.732 2.801 10 5 CFBERO [NH3+]CC[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125208216 642554845 /nfs/dbraw/zinc/55/48/45/642554845.db2.gz LHSIHWVGDYDQJH-SNVBAGLBSA-N 1 0 283.759 2.813 10 5 CFBERO CC(C)[C@H]([NH3+])CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000133638973 646199193 /nfs/dbraw/zinc/19/91/93/646199193.db2.gz KXBXUBBOIDSDRH-LLVKDONJSA-N 1 0 269.320 2.544 10 5 CFBERO CC[N+](CC)(CC)c1cccc(OC(=O)NC)c1 ZINC000005688386 717100834 /nfs/dbraw/zinc/10/08/34/717100834.db2.gz ZPBXOXLTQFFWKU-UHFFFAOYSA-O 1 0 251.350 2.772 10 5 CFBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000594691930 349474516 /nfs/dbraw/zinc/47/45/16/349474516.db2.gz ALZIPDKJBQOMAU-UHFFFAOYSA-N 1 0 269.732 2.932 10 5 CFBERO CCOc1cc(NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000594694936 349475647 /nfs/dbraw/zinc/47/56/47/349475647.db2.gz ZBWVOTCMNZFIAP-UHFFFAOYSA-N 1 0 279.340 2.677 10 5 CFBERO CC[N+](CC)(CC)Cc1ccn2ncnc(Cl)c12 ZINC000034659299 346319353 /nfs/dbraw/zinc/31/93/53/346319353.db2.gz YBNPCQWEETVCIY-UHFFFAOYSA-N 1 0 267.784 2.759 10 5 CFBERO CCOc1cccc(N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000135054442 347903619 /nfs/dbraw/zinc/90/36/19/347903619.db2.gz OEZFGJMDJQYAJG-UHFFFAOYSA-N 1 0 293.367 2.559 10 5 CFBERO COc1ccc([C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000141349640 347930427 /nfs/dbraw/zinc/93/04/27/347930427.db2.gz LTJFCKYWCAKQDQ-CQSZACIVSA-N 1 0 258.277 2.652 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000086838872 179351646 /nfs/dbraw/zinc/35/16/46/179351646.db2.gz GUHGJHIKJXEIHH-GFCCVEGCSA-N 1 0 263.341 2.881 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217646740 348165026 /nfs/dbraw/zinc/16/50/26/348165026.db2.gz PVXXGRCGPAOBIE-YUELXQCFSA-N 1 0 278.352 2.939 10 5 CFBERO O=[N+]([O-])[C@]12Cc3ccccc3[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225904508 348180635 /nfs/dbraw/zinc/18/06/35/348180635.db2.gz YHOPNRSCFKLSMQ-MSOLQXFVSA-N 1 0 294.354 2.858 10 5 CFBERO CC[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000300497420 348368780 /nfs/dbraw/zinc/36/87/80/348368780.db2.gz SUVWGAVVHGJZIO-GXSJLCMTSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000320938407 348437507 /nfs/dbraw/zinc/43/75/07/348437507.db2.gz SXFSLAVPDFTFTG-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO CCOCOc1cc(C[NH2+]CC(C)C)ccc1[N+](=O)[O-] ZINC000087888702 179513139 /nfs/dbraw/zinc/51/31/39/179513139.db2.gz DMWYGMQHZHAUIK-UHFFFAOYSA-N 1 0 282.340 2.713 10 5 CFBERO [NH3+]C[C@@]1(Cc2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000088008056 179535483 /nfs/dbraw/zinc/53/54/83/179535483.db2.gz SNYCIVYUKDYVCX-KRWDZBQOSA-N 1 0 282.343 2.980 10 5 CFBERO CC1([NH3+])CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000591434674 349020562 /nfs/dbraw/zinc/02/05/62/349020562.db2.gz IWZXSRVTVGCSEI-UHFFFAOYSA-N 1 0 269.732 2.566 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1Cl ZINC000108099410 186204731 /nfs/dbraw/zinc/20/47/31/186204731.db2.gz VZEZKDCYSBLZIH-NSHDSACASA-N 1 0 284.743 2.764 10 5 CFBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000600952553 350635939 /nfs/dbraw/zinc/63/59/39/350635939.db2.gz ZJSQCCQWKSCHJQ-WDEREUQCSA-N 1 0 267.304 2.595 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793108 186325513 /nfs/dbraw/zinc/32/55/13/186325513.db2.gz QJWVPLKKTHYGAY-SNVBAGLBSA-N 1 0 267.304 2.536 10 5 CFBERO CCOc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051295 186348704 /nfs/dbraw/zinc/34/87/04/186348704.db2.gz TUUISKCFQDYASL-NEPJUHHUSA-N 1 0 293.367 2.794 10 5 CFBERO Cc1cnn(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123943647 187114982 /nfs/dbraw/zinc/11/49/82/187114982.db2.gz TWLMVKANGHJRDM-ZDUSSCGKSA-N 1 0 288.351 2.759 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NCC[C@@H]1CC[NH2+]C1 ZINC000130592832 187506166 /nfs/dbraw/zinc/50/61/66/187506166.db2.gz QXIHNADKCRKLIT-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230133916 283578907 /nfs/dbraw/zinc/57/89/07/283578907.db2.gz DTMLUYALAWGUPE-ADEWGFFLSA-N 1 0 295.770 2.812 10 5 CFBERO [NH3+][C@H]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000100278582 283641617 /nfs/dbraw/zinc/64/16/17/283641617.db2.gz RZRPDHVRQUSYJM-DTORHVGOSA-N 1 0 292.364 2.886 10 5 CFBERO Cc1c([N+](=O)[O-])ccc2c(NCCC[NH+](C)C)ccnc12 ZINC000001630813 371690084 /nfs/dbraw/zinc/69/00/84/371690084.db2.gz JTRVDVSWDCHNBZ-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO O=c1c2ccccc2sc2c(C3=[NH+]CCN3)cccc12 ZINC000029551867 372382650 /nfs/dbraw/zinc/38/26/50/372382650.db2.gz AYHZAPMSNNBJCT-UHFFFAOYSA-N 1 0 280.352 2.765 10 5 CFBERO CC1CC[NH+](CCNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052120113 373437023 /nfs/dbraw/zinc/43/70/23/373437023.db2.gz CECQNIKJUCPGFT-UHFFFAOYSA-N 1 0 281.331 2.878 10 5 CFBERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000093437407 375236172 /nfs/dbraw/zinc/23/61/72/375236172.db2.gz SPXSVIUIJZXWMI-DZGCQCFKSA-N 1 0 289.379 2.572 10 5 CFBERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000093632676 375277762 /nfs/dbraw/zinc/27/77/62/375277762.db2.gz SVTDOYFOOVSLPZ-NOZJJQNGSA-N 1 0 284.743 2.905 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000111830415 375872095 /nfs/dbraw/zinc/87/20/95/375872095.db2.gz HBDFEVCCTVMOQD-SNVBAGLBSA-N 1 0 255.293 2.519 10 5 CFBERO Cc1ccc(NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000129356739 377414756 /nfs/dbraw/zinc/41/47/56/377414756.db2.gz LTXAANAQTZTJTQ-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000134254003 377996792 /nfs/dbraw/zinc/99/67/92/377996792.db2.gz RXTFKEQKFWQTAC-UFBFGSQYSA-N 1 0 270.716 2.515 10 5 CFBERO CCc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809863 379944486 /nfs/dbraw/zinc/94/44/86/379944486.db2.gz VTADVCAMTFVAJN-LBPRGKRZSA-N 1 0 288.351 2.705 10 5 CFBERO Cc1cc(N[C@H](C[NH3+])CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000336813557 380674293 /nfs/dbraw/zinc/67/42/93/380674293.db2.gz CQECIPNJNLRBDK-JTQLQIEISA-N 1 0 269.320 2.828 10 5 CFBERO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000302768756 382313258 /nfs/dbraw/zinc/31/32/58/382313258.db2.gz MFJPEQBXKVIZHH-NSHDSACASA-N 1 0 283.759 2.779 10 5 CFBERO CC[NH2+][C@H](C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000387460795 382599001 /nfs/dbraw/zinc/59/90/01/382599001.db2.gz PRKMUERPRFVDCE-SNVBAGLBSA-N 1 0 274.324 2.553 10 5 CFBERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259017 382612326 /nfs/dbraw/zinc/61/23/26/382612326.db2.gz CVCXDFNFUOGAIX-OCCSQVGLSA-N 1 0 277.368 2.648 10 5 CFBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000389726266 382616399 /nfs/dbraw/zinc/61/63/99/382616399.db2.gz LBDQRJUWZMFZJY-UFBFGSQYSA-N 1 0 269.732 2.658 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336837240 382729712 /nfs/dbraw/zinc/72/97/12/382729712.db2.gz LSAGZLLUOFTRGT-MRVPVSSYSA-N 1 0 295.368 2.529 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133689972 285076138 /nfs/dbraw/zinc/07/61/38/285076138.db2.gz VENFHANJPSJTAM-UHFFFAOYSA-N 1 0 293.342 2.702 10 5 CFBERO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000251853342 131132030 /nfs/dbraw/zinc/13/20/30/131132030.db2.gz RRRAHFQPEBDQSR-IINYFYTJSA-N 1 0 297.786 2.630 10 5 CFBERO Cc1ccc(N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000111830517 393887998 /nfs/dbraw/zinc/88/79/98/393887998.db2.gz PDCALMRNRCLHSN-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO CCOc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250640819 393929134 /nfs/dbraw/zinc/92/91/34/393929134.db2.gz XNXHJHFYQCMDSE-BXUZGUMPSA-N 1 0 293.367 2.557 10 5 CFBERO C[C@H](C[NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000420212879 394096393 /nfs/dbraw/zinc/09/63/93/394096393.db2.gz GZXVHVFDQLRFHP-ZCFIWIBFSA-N 1 0 278.139 2.908 10 5 CFBERO COc1c2occc2c(C[N+](C)(C)C)c2ccc(=O)oc21 ZINC000006068161 170173565 /nfs/dbraw/zinc/17/35/65/170173565.db2.gz ZGVAFIYHMHPVQX-UHFFFAOYSA-N 1 0 288.323 2.754 10 5 CFBERO C=COCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020197803 171061949 /nfs/dbraw/zinc/06/19/49/171061949.db2.gz CXCRLWOXCMOMAJ-LLVKDONJSA-N 1 0 250.298 2.796 10 5 CFBERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177108 173010406 /nfs/dbraw/zinc/01/04/06/173010406.db2.gz JZMJXFKHAZPHNJ-LLVKDONJSA-N 1 0 257.293 2.841 10 5 CFBERO CC(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037396204 173177105 /nfs/dbraw/zinc/17/71/05/173177105.db2.gz NGOFDTAPXQIRFW-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[NH2+]CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038043380 174050315 /nfs/dbraw/zinc/05/03/15/174050315.db2.gz GARPEEXXUIVKHD-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000038051126 174063018 /nfs/dbraw/zinc/06/30/18/174063018.db2.gz BEFNXIWSUNLERU-AAEUAGOBSA-N 1 0 286.335 2.825 10 5 CFBERO COc1ccc([C@@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038128896 174131326 /nfs/dbraw/zinc/13/13/26/174131326.db2.gz SZOOZTCJAOTSRA-HNNXBMFYSA-N 1 0 272.304 2.846 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040622483 174354609 /nfs/dbraw/zinc/35/46/09/174354609.db2.gz JPGDEPFQTHIFBS-KBPBESRZSA-N 1 0 291.395 2.976 10 5 CFBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000040750494 174395587 /nfs/dbraw/zinc/39/55/87/174395587.db2.gz HXLYMVLJCBYUPF-FGWVZKOKSA-N 1 0 281.743 2.707 10 5 CFBERO C[NH2+][C@H]1CCC[C@H]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042398622 174709406 /nfs/dbraw/zinc/70/94/06/174709406.db2.gz PNMNMDXJSKWSMH-CABZTGNLSA-N 1 0 252.289 2.665 10 5 CFBERO Cc1cc(OCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000042407203 174713291 /nfs/dbraw/zinc/71/32/91/174713291.db2.gz BYCCRVUKMWLRGF-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO [NH3+]Cc1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043473335 175053785 /nfs/dbraw/zinc/05/37/85/175053785.db2.gz IKDBBZVUWNKHDW-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CCCC[NH2+]1 ZINC000043494745 175057764 /nfs/dbraw/zinc/05/77/64/175057764.db2.gz NCIAFSVSGJMRPD-SNVBAGLBSA-N 1 0 270.716 2.769 10 5 CFBERO COc1ccc(OCC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000043499240 175058038 /nfs/dbraw/zinc/05/80/38/175058038.db2.gz NQEPTHPOHBWHAH-NSHDSACASA-N 1 0 280.324 2.514 10 5 CFBERO COc1ccc(OCC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000043499242 175058161 /nfs/dbraw/zinc/05/81/61/175058161.db2.gz NQEPTHPOHBWHAH-LLVKDONJSA-N 1 0 280.324 2.514 10 5 CFBERO C[C@@H](CNc1cc([N+](=O)[O-])ccn1)C[NH+]1CCCCC1 ZINC000043567896 175067388 /nfs/dbraw/zinc/06/73/88/175067388.db2.gz GOXBRYOFROJNMW-LBPRGKRZSA-N 1 0 278.356 2.524 10 5 CFBERO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535615 175198274 /nfs/dbraw/zinc/19/82/74/175198274.db2.gz RWVBWAMRSMDFPK-STQMWFEESA-N 1 0 277.368 2.587 10 5 CFBERO CC[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH3+] ZINC000044539481 175200959 /nfs/dbraw/zinc/20/09/59/175200959.db2.gz SAFZTEHEBPKLLG-HUUCEWRRSA-N 1 0 277.368 2.859 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000044563150 175206793 /nfs/dbraw/zinc/20/67/93/175206793.db2.gz WBTILRARKVDLJU-NSHDSACASA-N 1 0 267.304 2.630 10 5 CFBERO CCC[C@](C)([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732012 175240853 /nfs/dbraw/zinc/24/08/53/175240853.db2.gz JDIUOVOTIQTEGR-ZDUSSCGKSA-N 1 0 276.296 2.619 10 5 CFBERO C[C@@H](CC[NH+](C)C)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000049558661 175488128 /nfs/dbraw/zinc/48/81/28/175488128.db2.gz QUJXRKREXUNMBR-VIFPVBQESA-N 1 0 294.380 2.957 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077466052 177271983 /nfs/dbraw/zinc/27/19/83/177271983.db2.gz QTPRNJKIJXGTNJ-HZMBPMFUSA-N 1 0 298.770 2.889 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229609911 274419213 /nfs/dbraw/zinc/41/92/13/274419213.db2.gz NNMDJLJJKVLBNB-WPRPVWTQSA-N 1 0 269.732 2.801 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000229611799 274420504 /nfs/dbraw/zinc/42/05/04/274420504.db2.gz FKRDICOEURXSHW-CMPLNLGQSA-N 1 0 286.335 2.695 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235617370 280045266 /nfs/dbraw/zinc/04/52/66/280045266.db2.gz PYBMCSQZLAZTNG-SCZZXKLOSA-N 1 0 269.732 2.801 10 5 CFBERO Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000063201102 280864283 /nfs/dbraw/zinc/86/42/83/280864283.db2.gz XSVUZZMRYJVIBZ-AWEZNQCLSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133588433 281010115 /nfs/dbraw/zinc/01/01/15/281010115.db2.gz BNGOQJAJUXURJO-LBPRGKRZSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1cccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000235996147 281226108 /nfs/dbraw/zinc/22/61/08/281226108.db2.gz FLABAAHVGSEACU-AWEZNQCLSA-N 1 0 289.379 2.872 10 5 CFBERO CC[NH+](CC)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443162 520686999 /nfs/dbraw/zinc/68/69/99/520686999.db2.gz HOMMQBGTZOQSAQ-UHFFFAOYSA-N 1 0 285.775 2.680 10 5 CFBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000420211718 533773871 /nfs/dbraw/zinc/77/38/71/533773871.db2.gz FQPOFVPGTNLDJI-ZETCQYMHSA-N 1 0 277.246 2.620 10 5 CFBERO CC(C)[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC1CC1 ZINC000050817599 519655172 /nfs/dbraw/zinc/65/51/72/519655172.db2.gz ZBIBQEZKXOGIGL-UHFFFAOYSA-N 1 0 263.341 2.797 10 5 CFBERO CCC[NH2+]CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054267469 519918498 /nfs/dbraw/zinc/91/84/98/519918498.db2.gz WBEDHAOQCBSAFA-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259111 519993610 /nfs/dbraw/zinc/99/36/10/519993610.db2.gz BFJLSKSLNUBIKL-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000048627755 520087367 /nfs/dbraw/zinc/08/73/67/520087367.db2.gz DUVRHYNYFZLHNR-UONOGXRCSA-N 1 0 278.352 2.542 10 5 CFBERO CCCCCOc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516833 520248507 /nfs/dbraw/zinc/24/85/07/520248507.db2.gz YMEALYHWHGUBBA-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO CCNc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813310 520299004 /nfs/dbraw/zinc/29/90/04/520299004.db2.gz QMEURIJYQNXSDI-GFCCVEGCSA-N 1 0 295.408 2.964 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCO1 ZINC000050815916 520329029 /nfs/dbraw/zinc/32/90/29/520329029.db2.gz ZDMQFTGGDQVSHX-CQSZACIVSA-N 1 0 293.367 2.637 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSCC1 ZINC000050817860 520331106 /nfs/dbraw/zinc/33/11/06/520331106.db2.gz DDYPFJLZHRICDZ-UHFFFAOYSA-N 1 0 295.408 2.966 10 5 CFBERO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813977 520645047 /nfs/dbraw/zinc/64/50/47/520645047.db2.gz IMYLMQCCDOSRAA-SNVBAGLBSA-N 1 0 251.330 2.797 10 5 CFBERO CC[NH+](CC)CCNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700665 520690770 /nfs/dbraw/zinc/69/07/70/520690770.db2.gz AFNIAMNEAFONJK-UHFFFAOYSA-N 1 0 251.330 2.657 10 5 CFBERO CCC[N@H+](C)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050813195 521500391 /nfs/dbraw/zinc/50/03/91/521500391.db2.gz UAFIUCXUNNWUJS-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063166331 521978100 /nfs/dbraw/zinc/97/81/00/521978100.db2.gz HUYBSISNJNRDKR-UHFFFAOYSA-N 1 0 283.759 2.684 10 5 CFBERO CC[C@@H](C)[N@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813054 522064666 /nfs/dbraw/zinc/06/46/66/522064666.db2.gz TWSZVEVJNWDEPR-SNVBAGLBSA-N 1 0 251.330 2.867 10 5 CFBERO CNc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] ZINC000050816079 522610908 /nfs/dbraw/zinc/61/09/08/522610908.db2.gz MMZSVOXBNHCIBU-CMPLNLGQSA-N 1 0 261.325 2.621 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)CC(C)C ZINC000050815111 522644494 /nfs/dbraw/zinc/64/44/94/522644494.db2.gz GRUXBADEPCGXLI-UHFFFAOYSA-N 1 0 295.383 2.741 10 5 CFBERO CC[C@H]1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050813834 523092644 /nfs/dbraw/zinc/09/26/44/523092644.db2.gz HSAUVSYSCSRKEE-NSHDSACASA-N 1 0 263.341 2.799 10 5 CFBERO C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050793037 523346342 /nfs/dbraw/zinc/34/63/42/523346342.db2.gz FSFCBMZZNSHPIU-UHFFFAOYSA-N 1 0 271.320 2.809 10 5 CFBERO COCCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517337 524041051 /nfs/dbraw/zinc/04/10/51/524041051.db2.gz BXQPSQUBSXBSAS-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO COc1ccc(C[NH2+]C[C@H](C)CSC)cc1[N+](=O)[O-] ZINC000069448113 524071933 /nfs/dbraw/zinc/07/19/33/524071933.db2.gz JSZXTFWUEACYKH-JTQLQIEISA-N 1 0 284.381 2.692 10 5 CFBERO Cc1cc(C)c(OC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000050441893 524311057 /nfs/dbraw/zinc/31/10/57/524311057.db2.gz QXYFGRHUPOETIJ-GFCCVEGCSA-N 1 0 264.325 2.733 10 5 CFBERO C[C@@H](C[NH+]1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049150178 524592183 /nfs/dbraw/zinc/59/21/83/524592183.db2.gz KLGUCCZEQKFBFO-NSHDSACASA-N 1 0 297.786 2.822 10 5 CFBERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791966 525382484 /nfs/dbraw/zinc/38/24/84/525382484.db2.gz WHVXUCPRDYKHFK-PHIMTYICSA-N 1 0 263.341 2.655 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CSC ZINC000069447559 525460195 /nfs/dbraw/zinc/46/01/95/525460195.db2.gz PYAGRRNTUZDQQT-JTQLQIEISA-N 1 0 284.381 2.692 10 5 CFBERO COc1cccc(N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000311670788 526211827 /nfs/dbraw/zinc/21/18/27/526211827.db2.gz HHHWXNKWNRBOTK-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO Cc1nc2cc(OC[C@@H]3CCC[NH2+]3)c([N+](=O)[O-])cc2s1 ZINC000051866003 527131339 /nfs/dbraw/zinc/13/13/39/527131339.db2.gz BJMGPMUUMLXRJQ-VIFPVBQESA-N 1 0 293.348 2.644 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OC2CCCCC2)c1 ZINC000050516437 527258147 /nfs/dbraw/zinc/25/81/47/527258147.db2.gz TYDXLSLFQGFLLV-UHFFFAOYSA-N 1 0 250.298 2.765 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444506 527359085 /nfs/dbraw/zinc/35/90/85/527359085.db2.gz KSVWFVILQCJHQU-GZMMTYOYSA-N 1 0 254.717 2.918 10 5 CFBERO Nc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCCCC1 ZINC000050812388 527504538 /nfs/dbraw/zinc/50/45/38/527504538.db2.gz LMFFTSKXCKJGHU-UHFFFAOYSA-N 1 0 263.341 2.943 10 5 CFBERO Cc1nn(C)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1C[NH3+] ZINC000050471170 527680689 /nfs/dbraw/zinc/68/06/89/527680689.db2.gz KFOAXMOSNWDYHD-UHFFFAOYSA-N 1 0 296.714 2.541 10 5 CFBERO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000236185759 618608743 /nfs/dbraw/zinc/60/87/43/618608743.db2.gz CUDAZBGXYPJXKZ-LLVKDONJSA-N 1 0 284.747 2.573 10 5 CFBERO C[C@H]1[C@@H]([NH3+])CCN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310789199 618639347 /nfs/dbraw/zinc/63/93/47/618639347.db2.gz QMVGOKDOWMWRDP-WKEGUHRASA-N 1 0 290.150 2.828 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163801 620086803 /nfs/dbraw/zinc/08/68/03/620086803.db2.gz MYPCNVALKZHVDD-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690637 623238996 /nfs/dbraw/zinc/23/89/96/623238996.db2.gz INTBFBDKRFESTM-VIFPVBQESA-N 1 0 270.329 2.671 10 5 CFBERO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1ccccc1 ZINC000062726175 623294830 /nfs/dbraw/zinc/29/48/30/623294830.db2.gz XCYZUXGCUWPEGZ-UHFFFAOYSA-N 1 0 270.332 2.970 10 5 CFBERO CC(C)[C@@H]([NH3+])CCN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000232696497 623476414 /nfs/dbraw/zinc/47/64/14/623476414.db2.gz QRMACLSPSJJZNN-LBPRGKRZSA-N 1 0 287.310 2.683 10 5 CFBERO Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108800 650827582 /nfs/dbraw/zinc/82/75/82/650827582.db2.gz OQELPZYTMBBAFZ-AAEUAGOBSA-N 1 0 263.341 2.833 10 5 CFBERO CC[N+](C)(CC)c1cccc(OC(=O)N(C)C)c1 ZINC000001998366 717091613 /nfs/dbraw/zinc/09/16/13/717091613.db2.gz OLPNKIILPIDARH-UHFFFAOYSA-N 1 0 251.350 2.724 10 5 CFBERO CC(=O)c1ccc(OCCCC[N+](C)(C)C)cc1 ZINC000204919348 717159335 /nfs/dbraw/zinc/15/93/35/717159335.db2.gz IZGAWXFBQJPULM-UHFFFAOYSA-N 1 0 250.362 2.754 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000096867628 185118814 /nfs/dbraw/zinc/11/88/14/185118814.db2.gz DUONBXOBNHVOPX-BXUZGUMPSA-N 1 0 298.770 2.889 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000096867627 185118940 /nfs/dbraw/zinc/11/89/40/185118940.db2.gz DUONBXOBNHVOPX-SMDDNHRTSA-N 1 0 298.770 2.889 10 5 CFBERO [NH3+]CCC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070188645 346908012 /nfs/dbraw/zinc/90/80/12/346908012.db2.gz XAZUGIFKNMTKNG-UHFFFAOYSA-N 1 0 283.759 2.813 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000089105916 347511683 /nfs/dbraw/zinc/51/16/83/347511683.db2.gz DLEYUBPHDUGVQC-JQWIXIFHSA-N 1 0 286.335 2.682 10 5 CFBERO CC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122943307 347817676 /nfs/dbraw/zinc/81/76/76/347817676.db2.gz AHPFLVPNWYJUMC-KOLCDFICSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]C[C@@]1(Cc2ccc([N+](=O)[O-])cc2Cl)CCCC[C@@H]1O ZINC000087931388 179525739 /nfs/dbraw/zinc/52/57/39/179525739.db2.gz RVUFVINXSLYBNL-KBPBESRZSA-N 1 0 298.770 2.671 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000600963699 350638717 /nfs/dbraw/zinc/63/87/17/350638717.db2.gz YSDPXKJDSQMZGK-MGCOHNPYSA-N 1 0 267.304 2.663 10 5 CFBERO CCOc1cc(N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000111052063 186347967 /nfs/dbraw/zinc/34/79/67/186347967.db2.gz DLDAEQQJZHWTEK-LLVKDONJSA-N 1 0 293.367 2.557 10 5 CFBERO CCOc1cc(N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000229596418 189800426 /nfs/dbraw/zinc/80/04/26/189800426.db2.gz KYXBVASWCSVCBE-CMPLNLGQSA-N 1 0 279.340 2.546 10 5 CFBERO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000236239625 189832726 /nfs/dbraw/zinc/83/27/26/189832726.db2.gz CUDAZBGXYPJXKZ-NSHDSACASA-N 1 0 284.747 2.573 10 5 CFBERO Cc1cccc(NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235898068 189831562 /nfs/dbraw/zinc/83/15/62/189831562.db2.gz OCXSMVXGCLTSIM-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO C[C@H]1O[C@@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2 ZINC000000162702 371546854 /nfs/dbraw/zinc/54/68/54/371546854.db2.gz WYAGXNHBWYSTNJ-IUODEOHRSA-N 1 0 282.791 2.862 10 5 CFBERO Cc1ccc2nccc(NCCC[NH+](C)C)c2c1[N+](=O)[O-] ZINC000028771490 372369573 /nfs/dbraw/zinc/36/95/73/372369573.db2.gz WJNSZRIWVKGVHN-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050163671 373359766 /nfs/dbraw/zinc/35/97/66/373359766.db2.gz VEDQDCKVTVJALX-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000050163788 373360208 /nfs/dbraw/zinc/36/02/08/373360208.db2.gz MEMKKUYTWWTBEF-ZJUUUORDSA-N 1 0 267.304 2.534 10 5 CFBERO C[C@H](CNc1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075471 373746639 /nfs/dbraw/zinc/74/66/39/373746639.db2.gz GQYNJRPSFXROOU-LLVKDONJSA-N 1 0 281.331 2.878 10 5 CFBERO O=[N+]([O-])c1ccc2sc(OC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092074 375413223 /nfs/dbraw/zinc/41/32/23/375413223.db2.gz ICXBHMIGNLMJGP-SECBINFHSA-N 1 0 293.348 2.583 10 5 CFBERO CC[C@H]([NH2+]CCC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181548177 380824138 /nfs/dbraw/zinc/82/41/38/380824138.db2.gz RVTIRRDKGUDJLR-AWEZNQCLSA-N 1 0 293.367 2.504 10 5 CFBERO CC[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558676 380826939 /nfs/dbraw/zinc/82/69/39/380826939.db2.gz STZAZXGJIMPTMJ-SMDDNHRTSA-N 1 0 292.335 2.589 10 5 CFBERO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382474580 382530735 /nfs/dbraw/zinc/53/07/35/382530735.db2.gz RWEMSGSNKLCERY-VHSXEESVSA-N 1 0 267.304 2.724 10 5 CFBERO [NH3+][C@H](CC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000575437688 382770967 /nfs/dbraw/zinc/77/09/67/382770967.db2.gz OSYOSPYXNXKBPM-SSDOTTSWSA-N 1 0 250.632 2.903 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000235501361 382882410 /nfs/dbraw/zinc/88/24/10/382882410.db2.gz RMJWRIARWFNNGS-UWVGGRQHSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cc(NCCC[NH2+]C(C)C)c(F)cc1[N+](=O)[O-] ZINC000566846239 383217747 /nfs/dbraw/zinc/21/77/47/383217747.db2.gz FCQAZFONMNDTJX-UHFFFAOYSA-N 1 0 269.320 2.842 10 5 CFBERO COc1cc(N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1F ZINC000156797617 286227570 /nfs/dbraw/zinc/22/75/70/286227570.db2.gz OINPCNLADOGXTL-LLVKDONJSA-N 1 0 299.346 2.552 10 5 CFBERO COC(=O)c1c2ccccc2[n+](C)c2ccccc21 ZINC000005103614 170066288 /nfs/dbraw/zinc/06/62/88/170066288.db2.gz PNIZNJYNDUMPRE-UHFFFAOYSA-N 1 0 252.293 2.604 10 5 in-vitro CFBERO OCC[NH+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000005518248 170107112 /nfs/dbraw/zinc/10/71/12/170107112.db2.gz LEBZMXYJDNWXPS-UHFFFAOYSA-N 1 0 295.382 2.780 10 5 CFBERO CC(CO)(CO)[NH2+]Cc1ccc2ccc3ccccc3c2c1 ZINC000005761719 170138042 /nfs/dbraw/zinc/13/80/42/170138042.db2.gz HDYYWWYVFIEXQR-UHFFFAOYSA-N 1 0 295.382 2.826 10 5 CFBERO NC(=[NH2+])c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000020530030 171240529 /nfs/dbraw/zinc/24/05/29/171240529.db2.gz JOHRSQHIJZSTJT-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000029577317 171605216 /nfs/dbraw/zinc/60/52/16/171605216.db2.gz JYZJEIHCYWOLQM-RYUDHWBXSA-N 1 0 293.367 2.864 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037165457 173000610 /nfs/dbraw/zinc/00/06/10/173000610.db2.gz RWQULQGGMJDZQJ-PWSUYJOCSA-N 1 0 284.743 2.641 10 5 CFBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009556 173975342 /nfs/dbraw/zinc/97/53/42/173975342.db2.gz KCQZPDXHIZUPAG-CQSZACIVSA-N 1 0 284.315 2.688 10 5 CFBERO [NH3+]Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082156 174091164 /nfs/dbraw/zinc/09/11/64/174091164.db2.gz VLQRFHGVYAVGHJ-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040502614 174298585 /nfs/dbraw/zinc/29/85/85/174298585.db2.gz RVAONPMLZDTITK-GXTWGEPZSA-N 1 0 277.368 2.730 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000040673595 174371859 /nfs/dbraw/zinc/37/18/59/174371859.db2.gz OOKFSNISHQYGEQ-NSHDSACASA-N 1 0 286.335 2.649 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000040673591 174372314 /nfs/dbraw/zinc/37/23/14/174372314.db2.gz QUVDMIXWFCNXNR-NSHDSACASA-N 1 0 286.335 2.649 10 5 CFBERO Cc1ccc(Oc2ccc(C(N)=[NH2+])cc2)c([N+](=O)[O-])c1 ZINC000041078704 174472491 /nfs/dbraw/zinc/47/24/91/174472491.db2.gz LPRMYOCNJFYKNO-UHFFFAOYSA-N 1 0 271.276 2.980 10 5 CFBERO CC[NH+](CC)C[C@@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000041677332 174602867 /nfs/dbraw/zinc/60/28/67/174602867.db2.gz XIGNXSPDXAQBGJ-SNVBAGLBSA-N 1 0 269.320 2.876 10 5 CFBERO [NH3+]Cc1ccc(OCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000043458008 175050419 /nfs/dbraw/zinc/05/04/19/175050419.db2.gz CXHMSWLAFZPCRX-UHFFFAOYSA-N 1 0 288.303 2.511 10 5 CFBERO C[C@H](CNc1cc([N+](=O)[O-])ccn1)C[NH+]1CCCCC1 ZINC000043567897 175067386 /nfs/dbraw/zinc/06/73/86/175067386.db2.gz GOXBRYOFROJNMW-GFCCVEGCSA-N 1 0 278.356 2.524 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c2cccnc21 ZINC000044493434 175181386 /nfs/dbraw/zinc/18/13/86/175181386.db2.gz RGJSZKKQOLCMSK-NSHDSACASA-N 1 0 286.335 2.697 10 5 CFBERO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045085225 175303732 /nfs/dbraw/zinc/30/37/32/175303732.db2.gz FQQCCQOPALPOGV-AWEZNQCLSA-N 1 0 291.351 2.760 10 5 CFBERO CCCOc1cc(NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070463634 175944047 /nfs/dbraw/zinc/94/40/47/175944047.db2.gz KJBJJMBSGLXUJK-GFCCVEGCSA-N 1 0 281.356 2.779 10 5 CFBERO CCCN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332589 176125650 /nfs/dbraw/zinc/12/56/50/176125650.db2.gz ANPFHVGVSKCNPT-LLVKDONJSA-N 1 0 283.759 2.827 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000229606652 274419207 /nfs/dbraw/zinc/41/92/07/274419207.db2.gz HNQQHASUQKSBSE-GWCFXTLKSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000038050871 274961803 /nfs/dbraw/zinc/96/18/03/274961803.db2.gz YAOCNJNZCYAYEJ-IUCAKERBSA-N 1 0 292.364 2.886 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000071397728 275037164 /nfs/dbraw/zinc/03/71/64/275037164.db2.gz SMHPDFPPVJKFBX-MRVPVSSYSA-N 1 0 289.257 2.778 10 5 CFBERO C[NH2+]C[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125190518 277275919 /nfs/dbraw/zinc/27/59/19/277275919.db2.gz KDCMIDGYLLNKBB-JTQLQIEISA-N 1 0 283.759 2.684 10 5 CFBERO CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261597195 278342280 /nfs/dbraw/zinc/34/22/80/278342280.db2.gz OVFUJUQBGPXRFK-LBPRGKRZSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000153805694 279504689 /nfs/dbraw/zinc/50/46/89/279504689.db2.gz PBJCSTOHYJMHMT-NJZAAPMLSA-N 1 0 278.352 2.797 10 5 CFBERO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000382438330 324428217 /nfs/dbraw/zinc/42/82/17/324428217.db2.gz OGJOVJZLFQRTKR-NOZJJQNGSA-N 1 0 283.759 2.669 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049218702 519794067 /nfs/dbraw/zinc/79/40/67/519794067.db2.gz MRZXGWBOWCHLSJ-GFCCVEGCSA-N 1 0 269.320 2.732 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000160675766 521189731 /nfs/dbraw/zinc/18/97/31/521189731.db2.gz FHNPNZUCICMDRZ-SECBINFHSA-N 1 0 285.319 2.672 10 5 CFBERO CCC([NH3+])(CC)CNc1c(C)cccc1[N+](=O)[O-] ZINC000158953634 521650255 /nfs/dbraw/zinc/65/02/55/521650255.db2.gz ABGSYQSEGTZOPD-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(C)(C)O)c1 ZINC000050517317 518764241 /nfs/dbraw/zinc/76/42/41/518764241.db2.gz SYFIJYCMTQZWSU-UHFFFAOYSA-N 1 0 296.367 2.633 10 5 CFBERO CC(C)C[C@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])c1 ZINC000049558138 519344548 /nfs/dbraw/zinc/34/45/48/519344548.db2.gz KUZZYXNKCHNFPW-CYBMUJFWSA-N 1 0 265.357 2.983 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860806 521189669 /nfs/dbraw/zinc/18/96/69/521189669.db2.gz HRNYIIYKIKSLRD-SECBINFHSA-N 1 0 285.319 2.672 10 5 CFBERO CCC(CC)[N@H+](CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817551 521559832 /nfs/dbraw/zinc/55/98/32/521559832.db2.gz JKBMJUFGELXQGN-UHFFFAOYSA-N 1 0 295.383 2.814 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700871 521649569 /nfs/dbraw/zinc/64/95/69/521649569.db2.gz YKYSBHXWLJGQKM-ZDUSSCGKSA-N 1 0 263.341 2.799 10 5 CFBERO CCC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000050813140 521684477 /nfs/dbraw/zinc/68/44/77/521684477.db2.gz WYHJHMXZVQWBBB-UHFFFAOYSA-N 1 0 251.330 2.797 10 5 CFBERO C[N@H+](Cc1cccs1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813480 523448943 /nfs/dbraw/zinc/44/89/43/523448943.db2.gz YRDYJUIVFQCKNG-UHFFFAOYSA-N 1 0 277.349 2.871 10 5 CFBERO CC[C@H](C)[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817012 523939605 /nfs/dbraw/zinc/93/96/05/523939605.db2.gz NOKXEVPRNPPCDM-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO C[C@H](CCC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000310368434 524140701 /nfs/dbraw/zinc/14/07/01/524140701.db2.gz WHIJPQAPMGKSGK-MRVPVSSYSA-N 1 0 257.721 2.788 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157893251 524859149 /nfs/dbraw/zinc/85/91/49/524859149.db2.gz CPVXNXWJVWLGFP-JQWIXIFHSA-N 1 0 297.786 2.807 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000063196531 525019942 /nfs/dbraw/zinc/01/99/42/525019942.db2.gz LYAFLJTXQASUIX-BXKDBHETSA-N 1 0 283.759 2.954 10 5 CFBERO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000313067658 525069397 /nfs/dbraw/zinc/06/93/97/525069397.db2.gz JLCYQEJOXCZFGQ-GHMZBOCLSA-N 1 0 281.331 2.606 10 5 CFBERO Cc1ccccc1COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516542 525171817 /nfs/dbraw/zinc/17/18/17/525171817.db2.gz RMVDAXOZKZOFBB-UHFFFAOYSA-N 1 0 272.304 2.941 10 5 CFBERO Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)ncc1[N+](=O)[O-] ZINC000155828250 525294614 /nfs/dbraw/zinc/29/46/14/525294614.db2.gz OAQIXKIOGOPRLH-LBPRGKRZSA-N 1 0 278.356 2.618 10 5 CFBERO Cc1cc(N[C@H](C)CCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000311769009 525298919 /nfs/dbraw/zinc/29/89/19/525298919.db2.gz XITBAAKWWTZTGH-SNVBAGLBSA-N 1 0 269.320 2.972 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC[C@]1(C)CCC[NH2+]C1 ZINC000167792965 525570120 /nfs/dbraw/zinc/57/01/20/525570120.db2.gz DKLOGTDVDAOLNX-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccnc(NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262492253 525694134 /nfs/dbraw/zinc/69/41/34/525694134.db2.gz LCUUUJACPVVZPZ-AWEZNQCLSA-N 1 0 298.346 2.597 10 5 CFBERO Cc1c([N+](=O)[O-])cccc1N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196498 525930578 /nfs/dbraw/zinc/93/05/78/525930578.db2.gz AWQFSEONNLEWQU-BXUZGUMPSA-N 1 0 263.341 2.609 10 5 CFBERO Cc1cnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000220917121 526156355 /nfs/dbraw/zinc/15/63/55/526156355.db2.gz VOPBPGKLZHMXPP-NSHDSACASA-N 1 0 275.308 2.785 10 5 CFBERO [NH3+]C[C@@H](Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000155832441 527206392 /nfs/dbraw/zinc/20/63/92/527206392.db2.gz CCUBWYJVXRGPII-CYBMUJFWSA-N 1 0 263.341 2.914 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000089108405 527232681 /nfs/dbraw/zinc/23/26/81/527232681.db2.gz VUYYVATXCBHOJU-BXKDBHETSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000089108997 527233169 /nfs/dbraw/zinc/23/31/69/527233169.db2.gz SRCKQSHGUAYKQO-MWLCHTKSSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+]Cc1cccc(Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC000069330958 527261133 /nfs/dbraw/zinc/26/11/33/527261133.db2.gz FUBLUDCSDKISIC-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO [NH3+][C@@H](CC[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000069395896 527331193 /nfs/dbraw/zinc/33/11/93/527331193.db2.gz AURRXFDTUHRPHL-KBPBESRZSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000248416575 527349108 /nfs/dbraw/zinc/34/91/08/527349108.db2.gz IWRKSKKUZBQMRP-ZDUSSCGKSA-N 1 0 295.770 2.528 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(CNCC[NH+]2CCCCC2)c1 ZINC000049574803 527355947 /nfs/dbraw/zinc/35/59/47/527355947.db2.gz JWJBVFXQADPCKL-UHFFFAOYSA-N 1 0 297.786 2.824 10 5 CFBERO Cc1nn(C)c(Oc2c(C)cc(C)cc2[N+](=O)[O-])c1C[NH3+] ZINC000050441951 527680274 /nfs/dbraw/zinc/68/02/74/527680274.db2.gz OGJUKNQIMNXUQP-UHFFFAOYSA-N 1 0 290.323 2.505 10 5 CFBERO CC[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757176014 617869101 /nfs/dbraw/zinc/86/91/01/617869101.db2.gz SLGSCULLRDBCDL-CBAPKCEASA-N 1 0 287.113 2.528 10 5 CFBERO CN(CCC[NH3+])c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234296495 618178358 /nfs/dbraw/zinc/17/83/58/618178358.db2.gz HLNBTHIPQLYLRG-UHFFFAOYSA-N 1 0 278.139 2.687 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255013 618279763 /nfs/dbraw/zinc/27/97/63/618279763.db2.gz ZFAKSOQQZICOOO-VIFPVBQESA-N 1 0 289.257 2.778 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000229599401 623214460 /nfs/dbraw/zinc/21/44/60/623214460.db2.gz BLWRYEXEKNTLHK-MFKMUULPSA-N 1 0 286.335 2.695 10 5 CFBERO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063201195 623332413 /nfs/dbraw/zinc/33/24/13/623332413.db2.gz INGJJAVKJVSJRB-AWEZNQCLSA-N 1 0 293.342 2.702 10 5 CFBERO C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253196400 626013409 /nfs/dbraw/zinc/01/34/09/626013409.db2.gz STIQLGXHGFJAAW-NXEZZACHSA-N 1 0 283.759 2.669 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CCCC[NH2+]1 ZINC000125192884 642537821 /nfs/dbraw/zinc/53/78/21/642537821.db2.gz ZRIDFCFHOWEJIR-JTQLQIEISA-N 1 0 269.732 2.802 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CC[NH2+]C1 ZINC000131909530 645848722 /nfs/dbraw/zinc/84/87/22/645848722.db2.gz HQHCWWNKBSPXSR-QMMMGPOBSA-N 1 0 289.257 2.635 10 5 CFBERO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000133584957 646164298 /nfs/dbraw/zinc/16/42/98/646164298.db2.gz PTDGHAXEIXJAPX-GFCCVEGCSA-N 1 0 269.320 2.544 10 5 CFBERO Cc1ccc(N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000133597918 646170206 /nfs/dbraw/zinc/17/02/06/646170206.db2.gz VRLGYPYOWKUNGC-LBPRGKRZSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133690357 646209187 /nfs/dbraw/zinc/20/91/87/646209187.db2.gz CJTNWMRAPWJKDM-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO CC[N+](C)(CC)C[C@@H](O)COc1ccccc1C1CC1 ZINC000003627708 717096272 /nfs/dbraw/zinc/09/62/72/717096272.db2.gz XIXXTIDYQYCTAI-OAHLLOKOSA-N 1 0 278.416 2.790 10 5 CFBERO CC[N+](C)(CC)CC1(COc2ccccc2C)COC1 ZINC000003642857 717097133 /nfs/dbraw/zinc/09/71/33/717097133.db2.gz QMDXCZZYKHKANZ-UHFFFAOYSA-N 1 0 278.416 2.877 10 5 CFBERO C=CC(=O)OCC[N+](CC)(CC)Cc1ccccc1 ZINC000033604845 717121064 /nfs/dbraw/zinc/12/10/64/717121064.db2.gz OWDRTAIRUSRYGX-UHFFFAOYSA-N 1 0 262.373 2.772 10 5 CFBERO CC[C@H](COC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811870 185115898 /nfs/dbraw/zinc/11/58/98/185115898.db2.gz QCWWADKTYUOHJQ-SNVBAGLBSA-N 1 0 272.732 2.763 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000096867625 185119098 /nfs/dbraw/zinc/11/90/98/185119098.db2.gz DUONBXOBNHVOPX-FZMZJTMJSA-N 1 0 298.770 2.889 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000054267816 346564158 /nfs/dbraw/zinc/56/41/58/346564158.db2.gz PTOCLQMLKUJIPG-UHFFFAOYSA-N 1 0 289.257 2.778 10 5 CFBERO CO[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431200 347942960 /nfs/dbraw/zinc/94/29/60/347942960.db2.gz XSSJNERTFYGTSL-RISCZKNCSA-N 1 0 264.325 2.594 10 5 CFBERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217620788 348165126 /nfs/dbraw/zinc/16/51/26/348165126.db2.gz QQCOPMFDKCWOCL-VHRBIJSZSA-N 1 0 264.325 2.549 10 5 CFBERO CC[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000234092682 348219678 /nfs/dbraw/zinc/21/96/78/348219678.db2.gz SUVWGAVVHGJZIO-ONGXEEELSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cccc(NCCC2(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000404581533 348593099 /nfs/dbraw/zinc/59/30/99/348593099.db2.gz DMXUJSSKRRLRIC-UHFFFAOYSA-N 1 0 279.340 2.534 10 5 CFBERO O=[N+]([O-])[C@@]12Cc3ccccc3[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000584606067 348688099 /nfs/dbraw/zinc/68/80/99/348688099.db2.gz YHOPNRSCFKLSMQ-ZWKOTPCHSA-N 1 0 294.354 2.858 10 5 CFBERO COc1ccc2c(c1)[C@@H](c1ccc([N+](=O)[O-])cc1)C[NH2+]CC2 ZINC000584617045 348691474 /nfs/dbraw/zinc/69/14/74/348691474.db2.gz OPIBACOIDUYIBM-QGZVFWFLSA-N 1 0 298.342 2.881 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCC1(C)CC[NH2+]CC1 ZINC000129454935 187432549 /nfs/dbraw/zinc/43/25/49/187432549.db2.gz CFOAVESYVNCGQZ-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CC[N@@H+]1CC[C@@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000107776128 186189900 /nfs/dbraw/zinc/18/99/00/186189900.db2.gz FFINTRJEGJXEDG-LBPRGKRZSA-N 1 0 297.786 2.680 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCO2)ccc1Cl ZINC000109460959 186253567 /nfs/dbraw/zinc/25/35/67/186253567.db2.gz HSSWLRLNHCTRSM-LLVKDONJSA-N 1 0 284.743 2.907 10 5 CFBERO Cc1cccc(N2CCCCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000600959001 350637274 /nfs/dbraw/zinc/63/72/74/350637274.db2.gz PFJLYNUVTFSLKH-GFCCVEGCSA-N 1 0 263.341 2.611 10 5 CFBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600962254 350638006 /nfs/dbraw/zinc/63/80/06/350638006.db2.gz CHPGWUZHIKQASL-VXNVDRBHSA-N 1 0 289.257 2.540 10 5 CFBERO COc1cccc(N[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000600963706 350638817 /nfs/dbraw/zinc/63/88/17/350638817.db2.gz ZBHIWMGRYVCTHW-XYPYZODXSA-N 1 0 279.340 2.533 10 5 CFBERO COc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110625422 186307018 /nfs/dbraw/zinc/30/70/18/186307018.db2.gz SHGCKWMZBVCEHQ-ZJUUUORDSA-N 1 0 297.330 2.543 10 5 CFBERO CC[C@@H]([NH2+]C1CSC1)c1cccc([N+](=O)[O-])c1 ZINC000611564156 351709698 /nfs/dbraw/zinc/70/96/98/351709698.db2.gz RVEGKBPBYFASDA-GFCCVEGCSA-N 1 0 252.339 2.751 10 5 CFBERO [NH3+]C1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000236206223 189832786 /nfs/dbraw/zinc/83/27/86/189832786.db2.gz FAFQIZBGFFYRFQ-UHFFFAOYSA-N 1 0 271.267 2.555 10 5 CFBERO CC[N+]1(CC)C[C@@H](C)O[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000162673 371546023 /nfs/dbraw/zinc/54/60/23/371546023.db2.gz NIMLGHCVCRUGIZ-IUODEOHRSA-N 1 0 284.807 2.760 10 5 CFBERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518592 372108472 /nfs/dbraw/zinc/10/84/72/372108472.db2.gz RZNCCVYBIWRNOZ-WDEREUQCSA-N 1 0 279.340 2.556 10 5 CFBERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518590 372108719 /nfs/dbraw/zinc/10/87/19/372108719.db2.gz RZNCCVYBIWRNOZ-QWRGUYRKSA-N 1 0 279.340 2.556 10 5 CFBERO C[C@H]([NH3+])CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000063171524 373790985 /nfs/dbraw/zinc/79/09/85/373790985.db2.gz FHMCWAPIXLQAFG-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000089108876 374869584 /nfs/dbraw/zinc/86/95/84/374869584.db2.gz ZAHIJNWJGUCPEA-ONGXEEELSA-N 1 0 267.304 2.663 10 5 CFBERO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000093632675 375276976 /nfs/dbraw/zinc/27/69/76/375276976.db2.gz SVTDOYFOOVSLPZ-TVQRCGJNSA-N 1 0 284.743 2.905 10 5 CFBERO O=[N+]([O-])c1ccc2sc(SC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092257 375412721 /nfs/dbraw/zinc/41/27/21/375412721.db2.gz MODMFBDDDMYCMG-MRVPVSSYSA-N 1 0 295.389 2.906 10 5 CFBERO O=[N+]([O-])c1c(NCC[C@H]2CC[NH2+]C2)ccc2ncccc21 ZINC000110798177 375832085 /nfs/dbraw/zinc/83/20/85/375832085.db2.gz RVUTXQYXCAOQCP-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000112077189 375882464 /nfs/dbraw/zinc/88/24/64/375882464.db2.gz SLDJIAVGAIMQNK-CYBMUJFWSA-N 1 0 275.352 2.578 10 5 CFBERO C[C@@H]1C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120415694 376610917 /nfs/dbraw/zinc/61/09/17/376610917.db2.gz GSVMQNLBPQABEQ-SWHYSGLUSA-N 1 0 260.337 2.914 10 5 CFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000130984264 377641494 /nfs/dbraw/zinc/64/14/94/377641494.db2.gz IQYISHUSWBUKHE-JTQLQIEISA-N 1 0 294.742 2.796 10 5 CFBERO CCC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000161147613 378826475 /nfs/dbraw/zinc/82/64/75/378826475.db2.gz HAGOBWUCQMHUSQ-LBPRGKRZSA-N 1 0 279.340 2.572 10 5 CFBERO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171691613 379374722 /nfs/dbraw/zinc/37/47/22/379374722.db2.gz WEHYZFQGOHCJDO-JTQLQIEISA-N 1 0 252.339 2.532 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000175339205 380047340 /nfs/dbraw/zinc/04/73/40/380047340.db2.gz CNCQUBNDIFLFHM-INIZCTEOSA-N 1 0 291.395 2.553 10 5 CFBERO CC[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358412183 382603955 /nfs/dbraw/zinc/60/39/55/382603955.db2.gz YNJLXDOBADKVIH-CQDKDKBSSA-N 1 0 277.368 2.586 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457781 382613861 /nfs/dbraw/zinc/61/38/61/382613861.db2.gz RQWUSHARGQGJMR-HIFRSBDPSA-N 1 0 277.368 2.730 10 5 CFBERO CC[n+]1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000226777731 382831756 /nfs/dbraw/zinc/83/17/56/382831756.db2.gz YSXYYDWOKWJFGO-UHFFFAOYSA-N 1 0 270.268 2.710 10 5 CFBERO Cc1ccc(NCCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000567573490 383289152 /nfs/dbraw/zinc/28/91/52/383289152.db2.gz GPASSKBFYIVITH-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261574901 383516447 /nfs/dbraw/zinc/51/64/47/383516447.db2.gz BHVXWFSVZHGNCC-UWVGGRQHSA-N 1 0 267.304 2.534 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261579099 383517537 /nfs/dbraw/zinc/51/75/37/383517537.db2.gz DNSHMMDQTPMFEY-UHFFFAOYSA-N 1 0 269.320 2.972 10 5 CFBERO Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261827463 383567280 /nfs/dbraw/zinc/56/72/80/383567280.db2.gz UKAHDGZIKZRBRO-JQWIXIFHSA-N 1 0 281.331 2.972 10 5 CFBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262432012 383620948 /nfs/dbraw/zinc/62/09/48/383620948.db2.gz FYOVWIKMRHDRSB-HNNXBMFYSA-N 1 0 298.346 2.597 10 5 CFBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262432032 383621158 /nfs/dbraw/zinc/62/11/58/383621158.db2.gz FYOVWIKMRHDRSB-OAHLLOKOSA-N 1 0 298.346 2.597 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000301423301 393470669 /nfs/dbraw/zinc/47/06/69/393470669.db2.gz AOGWCZGEXRSRPO-AWEZNQCLSA-N 1 0 275.352 2.578 10 5 CFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000302805691 393495852 /nfs/dbraw/zinc/49/58/52/393495852.db2.gz FRRBWTYEEXWTTF-NSHDSACASA-N 1 0 295.770 2.841 10 5 CFBERO Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313201558 393522080 /nfs/dbraw/zinc/52/20/80/393522080.db2.gz YTHLEKBOWBLHOX-OTYXRUKQSA-N 1 0 281.331 2.606 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(C)ccc1[N+](=O)[O-] ZINC000126687110 394034399 /nfs/dbraw/zinc/03/43/99/394034399.db2.gz CMPZYEIVEMITOP-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524999 171238128 /nfs/dbraw/zinc/23/81/28/171238128.db2.gz KALNXHJNGLTDGK-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CC[C@H](CC(N)=[NH2+])Sc1ccc([N+](=O)[O-])cc1 ZINC000035286572 172104266 /nfs/dbraw/zinc/10/42/66/172104266.db2.gz OXOXLHAUDBQTLW-SECBINFHSA-N 1 0 253.327 2.792 10 5 CFBERO C[NH+](C)CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000035635815 172320445 /nfs/dbraw/zinc/32/04/45/172320445.db2.gz YQMTVUHCHYLFTB-UHFFFAOYSA-N 1 0 278.230 2.554 10 5 CFBERO CC(C)[C@H](C)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338972 173140250 /nfs/dbraw/zinc/14/02/50/173140250.db2.gz CVCDEBIGBWVRDL-NSHDSACASA-N 1 0 264.325 2.754 10 5 CFBERO CC[NH2+]CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000038043437 174049714 /nfs/dbraw/zinc/04/97/14/174049714.db2.gz SIHDXNHXRKCELE-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080377 174090010 /nfs/dbraw/zinc/09/00/10/174090010.db2.gz OZFQGCWWROZEMC-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO C[NH2+][C@@H](Cc1cccs1)c1ccc([N+](=O)[O-])o1 ZINC000038132727 174132482 /nfs/dbraw/zinc/13/24/82/174132482.db2.gz HOEBKJFKFPQQHE-VIFPVBQESA-N 1 0 252.295 2.753 10 5 CFBERO C[N+]1(C)C[C@](O)(c2ccccc2)OC[C@H]1c1ccccc1 ZINC000038318371 174139586 /nfs/dbraw/zinc/13/95/86/174139586.db2.gz YLJHEMWPLPQNIG-ZWKOTPCHSA-N 1 0 284.379 2.680 10 5 CFBERO Cc1cc(C)c(C(N)=[NH2+])c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000040515273 174306513 /nfs/dbraw/zinc/30/65/13/174306513.db2.gz XDFALALMDXSTAF-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CNc2cccc([N+](=O)[O-])c2)C1 ZINC000040623811 174355935 /nfs/dbraw/zinc/35/59/35/174355935.db2.gz MFTRIUXRFUAEPX-GFCCVEGCSA-N 1 0 263.341 2.737 10 5 CFBERO C[C@H]1CCC[C@@](CNCc2ccc([N+](=O)[O-])o2)([NH+](C)C)C1 ZINC000040668835 174367768 /nfs/dbraw/zinc/36/77/68/174367768.db2.gz OKTQCFYKRQROIJ-SWLSCSKDSA-N 1 0 295.383 2.788 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673593 174372113 /nfs/dbraw/zinc/37/21/13/174372113.db2.gz TUUBTCSCKFBJOC-NSHDSACASA-N 1 0 286.335 2.649 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)c(F)c1 ZINC000043472989 175053615 /nfs/dbraw/zinc/05/36/15/175053615.db2.gz AUUAQOBSVFPKRF-UHFFFAOYSA-N 1 0 293.229 2.949 10 5 CFBERO O=[N+]([O-])c1ccc(SC[C@H]2CCCC[NH2+]2)cc1 ZINC000043495363 175058283 /nfs/dbraw/zinc/05/82/83/175058283.db2.gz CCTIYZTZQOVXLL-SNVBAGLBSA-N 1 0 252.339 2.829 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493051 175181158 /nfs/dbraw/zinc/18/11/58/175181158.db2.gz NNIIOXPPSVDFSH-SNVBAGLBSA-N 1 0 269.732 2.802 10 5 CFBERO O=[N+]([O-])c1c(NC[C@@H]2CCCC[NH2+]2)ccc2ncccc21 ZINC000044493555 175181420 /nfs/dbraw/zinc/18/14/20/175181420.db2.gz GUHWQXBXPNGBBG-NSHDSACASA-N 1 0 286.335 2.697 10 5 CFBERO Cc1ccc([C@H](C)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044539806 175200666 /nfs/dbraw/zinc/20/06/66/175200666.db2.gz LPRRWENMETURJO-GXTWGEPZSA-N 1 0 277.368 2.777 10 5 CFBERO CC[C@](C)([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000044747986 175243504 /nfs/dbraw/zinc/24/35/04/175243504.db2.gz KCLPFPVCXYGOEM-ZDUSSCGKSA-N 1 0 276.296 2.537 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000071397753 176151069 /nfs/dbraw/zinc/15/10/69/176151069.db2.gz GXDLREPEBJFKNS-VIFPVBQESA-N 1 0 289.257 2.778 10 5 CFBERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079207532 177446142 /nfs/dbraw/zinc/44/61/42/177446142.db2.gz FEGXKLZXAAHTGG-LLVKDONJSA-N 1 0 279.340 2.689 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680207 270289247 /nfs/dbraw/zinc/28/92/47/270289247.db2.gz CXOZNVLORAMFPM-NSHDSACASA-N 1 0 281.331 2.939 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229595381 274419191 /nfs/dbraw/zinc/41/91/91/274419191.db2.gz GCUWSDCSYRZWQP-WPRPVWTQSA-N 1 0 269.732 2.801 10 5 CFBERO CC(C)[C@@H]([NH3+])CCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000336813405 275673532 /nfs/dbraw/zinc/67/35/32/275673532.db2.gz UKHFIKBGDJTEDG-NSHDSACASA-N 1 0 269.320 2.544 10 5 CFBERO C[NH2+]CCC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000070190135 277021522 /nfs/dbraw/zinc/02/15/22/277021522.db2.gz DNJNFKZXANIBND-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO C[C@@H]([NH3+])C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000104127850 278305229 /nfs/dbraw/zinc/30/52/29/278305229.db2.gz AHBSLTPSCBZPQO-SECBINFHSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178368 278343886 /nfs/dbraw/zinc/34/38/86/278343886.db2.gz JKCAWYREFHPLGO-TVQRCGJNSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000094663302 281010365 /nfs/dbraw/zinc/01/03/65/281010365.db2.gz FYPUTAADKQBJDY-AWEZNQCLSA-N 1 0 289.379 2.872 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cccc(C)c1[N+](=O)[O-] ZINC000232995415 289995697 /nfs/dbraw/zinc/99/56/97/289995697.db2.gz SXNBLERBUUSBTO-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261778489 300704198 /nfs/dbraw/zinc/70/41/98/300704198.db2.gz PHWXKRBMAKGNBV-IONNQARKSA-N 1 0 289.257 2.540 10 5 CFBERO C[C@H]([NH2+]CCOCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000231666134 322433692 /nfs/dbraw/zinc/43/36/92/322433692.db2.gz PZSDCPWSNGKWMA-NSHDSACASA-N 1 0 264.325 2.672 10 5 CFBERO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382420779 324428093 /nfs/dbraw/zinc/42/80/93/324428093.db2.gz KBNRVEJUILYROX-NXEZZACHSA-N 1 0 267.304 2.582 10 5 CFBERO CCOc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382450572 324429006 /nfs/dbraw/zinc/42/90/06/324429006.db2.gz DZHRQPVBDUCZMT-MNOVXSKESA-N 1 0 279.340 2.675 10 5 CFBERO [NH3+][C@H]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000382486128 324429915 /nfs/dbraw/zinc/42/99/15/324429915.db2.gz ZNMDNGCURHNBNZ-YUMQZZPRSA-N 1 0 271.267 2.555 10 5 CFBERO CCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813327 520152030 /nfs/dbraw/zinc/15/20/30/520152030.db2.gz RUSIZBQRPMHLLH-UHFFFAOYSA-N 1 0 251.330 2.799 10 5 CFBERO CCC(O)(CC)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000087013947 521657328 /nfs/dbraw/zinc/65/73/28/521657328.db2.gz YKHWKRBRAPHYMV-LLVKDONJSA-N 1 0 266.341 2.797 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000051870863 518202978 /nfs/dbraw/zinc/20/29/78/518202978.db2.gz WNRFKKKSXASXPB-LLVKDONJSA-N 1 0 268.288 2.645 10 5 CFBERO CC(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000054267583 519721887 /nfs/dbraw/zinc/72/18/87/519721887.db2.gz WEFXETOGLFLHJW-UHFFFAOYSA-N 1 0 257.721 2.658 10 5 CFBERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814055 519811884 /nfs/dbraw/zinc/81/18/84/519811884.db2.gz OIAKRWMNLSXPHT-JTQLQIEISA-N 1 0 251.330 2.653 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000050618971 520080792 /nfs/dbraw/zinc/08/07/92/520080792.db2.gz XVHHVXIKPGKAGD-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CCNc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815912 520299162 /nfs/dbraw/zinc/29/91/62/520299162.db2.gz VCUKOBGMPYZCLM-CYBMUJFWSA-N 1 0 293.367 2.637 10 5 CFBERO CC1(C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261796276 520477076 /nfs/dbraw/zinc/47/70/76/520477076.db2.gz QVWPCOYCXOKCNI-CYBMUJFWSA-N 1 0 297.786 2.807 10 5 CFBERO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050815557 520523759 /nfs/dbraw/zinc/52/37/59/520523759.db2.gz NZRHNHCEOVJKEA-UHFFFAOYSA-N 1 0 295.383 2.621 10 5 CFBERO CCC[C@@H](C)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813975 520646304 /nfs/dbraw/zinc/64/63/04/520646304.db2.gz FJDHIWIDDVPUFD-SNVBAGLBSA-N 1 0 251.330 2.797 10 5 CFBERO CCOc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070175136 520751300 /nfs/dbraw/zinc/75/13/00/520751300.db2.gz NBPDIDSFCKAJHZ-VXGBXAGGSA-N 1 0 293.367 2.557 10 5 CFBERO CC[N@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)C(C)C ZINC000050812830 521323716 /nfs/dbraw/zinc/32/37/16/521323716.db2.gz ACIUHKTXFDTIPN-UHFFFAOYSA-N 1 0 251.330 2.867 10 5 CFBERO CCCN(c1cc(C)c([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000313052933 521697264 /nfs/dbraw/zinc/69/72/64/521697264.db2.gz HOKBCXFSCBPTKA-LLVKDONJSA-N 1 0 281.331 2.621 10 5 CFBERO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000070190187 521983623 /nfs/dbraw/zinc/98/36/23/521983623.db2.gz XRIIFLYLUYJFPA-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1ccc(C[NH3+])cc1F ZINC000050505903 522986695 /nfs/dbraw/zinc/98/66/95/522986695.db2.gz HZFPWPZJTVBCAH-UHFFFAOYSA-N 1 0 292.266 2.994 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000052205609 523793406 /nfs/dbraw/zinc/79/34/06/523793406.db2.gz VPTBYXUNKSMJDT-CQSZACIVSA-N 1 0 277.368 2.559 10 5 CFBERO COc1ccc(C[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000061686216 524129859 /nfs/dbraw/zinc/12/98/59/524129859.db2.gz YNOKIYPJUKJZFG-JQWIXIFHSA-N 1 0 266.341 2.765 10 5 CFBERO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443748 524961542 /nfs/dbraw/zinc/96/15/42/524961542.db2.gz FOMDQDFVXZNOMM-JTQLQIEISA-N 1 0 294.742 2.623 10 5 CFBERO Cc1ccc(N[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000061700950 525316106 /nfs/dbraw/zinc/31/61/06/525316106.db2.gz OHQWDYGQZTUFDU-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO Cc1ccc(N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000311084309 525316456 /nfs/dbraw/zinc/31/64/56/525316456.db2.gz XJSNCBDTXZBFMC-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918693 525573128 /nfs/dbraw/zinc/57/31/28/525573128.db2.gz JSCRBRLGNIUDCC-LBPRGKRZSA-N 1 0 264.325 2.672 10 5 CFBERO Cc1c(C[NH2+][C@@H](CC(C)C)CN(C)C)cccc1[N+](=O)[O-] ZINC000049555703 525727060 /nfs/dbraw/zinc/72/70/60/525727060.db2.gz JUFSUQYBFICFGB-HNNXBMFYSA-N 1 0 293.411 2.969 10 5 CFBERO Cc1nc(-c2ccc([N+](=O)[O-])cc2)[nH+]c(NN)c1C(C)C ZINC000061688971 526579087 /nfs/dbraw/zinc/57/90/87/526579087.db2.gz GAKMOIIMBPRQMX-UHFFFAOYSA-N 1 0 287.323 2.769 10 5 CFBERO NC(=[NH2+])c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1 ZINC000062714857 526819579 /nfs/dbraw/zinc/81/95/79/526819579.db2.gz LLQWCTMONBZGQW-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1cccnc1 ZINC000050443506 527332551 /nfs/dbraw/zinc/33/25/51/527332551.db2.gz ZNPAPIDIDWTRCE-UHFFFAOYSA-N 1 0 291.738 2.976 10 5 CFBERO O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190574 527402949 /nfs/dbraw/zinc/40/29/49/527402949.db2.gz WLDHVDQIZCROHL-QWHCGFSZSA-N 1 0 275.352 2.706 10 5 CFBERO [NH3+][C@H]1CCC[C@H]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964155 527407180 /nfs/dbraw/zinc/40/71/80/527407180.db2.gz KKHFYFKKZSOQOR-CABZTGNLSA-N 1 0 254.717 2.918 10 5 CFBERO Nc1ccc(C[NH+]2CCCCCCC2)cc1[N+](=O)[O-] ZINC000050812387 527482199 /nfs/dbraw/zinc/48/21/99/527482199.db2.gz IJDXLAOFUQHIFQ-UHFFFAOYSA-N 1 0 263.341 2.943 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000160665948 528824830 /nfs/dbraw/zinc/82/48/30/528824830.db2.gz OGQFZIQALBJNPZ-LBPRGKRZSA-N 1 0 281.356 2.923 10 5 CFBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261778485 618427073 /nfs/dbraw/zinc/42/70/73/618427073.db2.gz PHWXKRBMAKGNBV-APPZFPTMSA-N 1 0 289.257 2.540 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000093097805 618979155 /nfs/dbraw/zinc/97/91/55/618979155.db2.gz DXWDZCXOUIUSLL-CYBMUJFWSA-N 1 0 298.770 2.985 10 5 CFBERO Cc1cc(NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000261587227 619172838 /nfs/dbraw/zinc/17/28/38/619172838.db2.gz JJFWWVKJGYMDEZ-UHFFFAOYSA-N 1 0 263.341 2.977 10 5 CFBERO [NH3+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261794441 619271897 /nfs/dbraw/zinc/27/18/97/619271897.db2.gz GLHZYEAHAICLQN-LLVKDONJSA-N 1 0 283.759 2.561 10 5 CFBERO COc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860572 623122509 /nfs/dbraw/zinc/12/25/09/623122509.db2.gz GNCROTSKMWEVBT-MWLCHTKSSA-N 1 0 297.330 2.672 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000229606666 623215352 /nfs/dbraw/zinc/21/53/52/623215352.db2.gz HNQQHASUQKSBSE-MFKMUULPSA-N 1 0 286.335 2.695 10 5 CFBERO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000231042196 623319791 /nfs/dbraw/zinc/31/97/91/623319791.db2.gz ROIXPFBAMIDTJG-UONOGXRCSA-N 1 0 278.352 2.544 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000089092096 650827521 /nfs/dbraw/zinc/82/75/21/650827521.db2.gz VOWNQFYCDFKATB-GXFFZTMASA-N 1 0 286.335 2.682 10 5 CFBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251901679 650997219 /nfs/dbraw/zinc/99/72/19/650997219.db2.gz WWVDAQXZAVNXGB-BXKDBHETSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc(N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000133598123 646170838 /nfs/dbraw/zinc/17/08/38/646170838.db2.gz VRLGYPYOWKUNGC-GFCCVEGCSA-N 1 0 265.357 2.713 10 5 CFBERO CCOc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050461 646450373 /nfs/dbraw/zinc/45/03/73/646450373.db2.gz YOBJMEBKGQGBDU-NEPJUHHUSA-N 1 0 293.367 2.794 10 5 CFBERO C[N+](C)(C)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000001695349 717089418 /nfs/dbraw/zinc/08/94/18/717089418.db2.gz IGOIQFTUEQOMOY-QGZVFWFLSA-N 1 0 256.369 2.975 10 5 CFBERO CC[C@@H](c1ccc(OC(=O)NC)cc1)[N+](C)(C)C ZINC000005651165 717100402 /nfs/dbraw/zinc/10/04/02/717100402.db2.gz WRUNFVLONFRDPL-ZDUSSCGKSA-O 1 0 251.350 2.562 10 5 CFBERO CCOC(=O)N1CC[N+](C)(CCCc2ccccc2)CC1 ZINC000033883813 717123016 /nfs/dbraw/zinc/12/30/16/717123016.db2.gz QVJDYJCASAUOSA-UHFFFAOYSA-N 1 0 291.415 2.538 10 5 CFBERO CC[N+](C)(C)CCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000138269926 717151692 /nfs/dbraw/zinc/15/16/92/717151692.db2.gz JRAQAEWYHCUGFZ-UHFFFAOYSA-O 1 0 293.475 2.805 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000096867626 185119572 /nfs/dbraw/zinc/11/95/72/185119572.db2.gz DUONBXOBNHVOPX-RISCZKNCSA-N 1 0 298.770 2.889 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCC2)ccc1Cl ZINC000096479220 232180604 /nfs/dbraw/zinc/18/06/04/232180604.db2.gz REEGICAQOPETFZ-UHFFFAOYSA-N 1 0 284.743 2.643 10 5 CFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000063567585 346704138 /nfs/dbraw/zinc/70/41/38/346704138.db2.gz RFVFOPSTOCDIEB-HZPDHXFCSA-N 1 0 290.363 2.781 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NCC1CC[NH2+]CC1 ZINC000130586866 347872355 /nfs/dbraw/zinc/87/23/55/347872355.db2.gz VCZPDWQZHFJFMJ-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000086817769 179346150 /nfs/dbraw/zinc/34/61/50/179346150.db2.gz DUOBHSFXSJIPKD-NSHDSACASA-N 1 0 267.304 2.630 10 5 CFBERO CCOc1cc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000226039629 348180197 /nfs/dbraw/zinc/18/01/97/348180197.db2.gz QXNJFXLLXSMDQS-WCQYABFASA-N 1 0 293.367 2.557 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320731883 348436714 /nfs/dbraw/zinc/43/67/14/348436714.db2.gz SXDMRXYLTKDXMS-YUMQZZPRSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000320686751 348436794 /nfs/dbraw/zinc/43/67/94/348436794.db2.gz MBZNSUDLGUBBNX-YUMQZZPRSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000320797383 348437597 /nfs/dbraw/zinc/43/75/97/348437597.db2.gz GRYRGUAOVHXCEC-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO Nc1ccc([N+](=O)[O-])cc1C1=[NH+]CCc2ccccc21 ZINC000584591906 348682156 /nfs/dbraw/zinc/68/21/56/348682156.db2.gz ZLNNMPZJGBJVGL-UHFFFAOYSA-N 1 0 267.288 2.571 10 5 CFBERO CC(C)[NH2+]CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000591427463 349019107 /nfs/dbraw/zinc/01/91/07/349019107.db2.gz QNFOBEFOEPGYTE-UHFFFAOYSA-N 1 0 255.293 2.534 10 5 CFBERO C[C@]1(CNc2cccc(F)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129391711 187427871 /nfs/dbraw/zinc/42/78/71/187427871.db2.gz DLZHCXAHCXNBDE-ZDUSSCGKSA-N 1 0 267.304 2.536 10 5 CFBERO C[C@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105489255 186059993 /nfs/dbraw/zinc/05/99/93/186059993.db2.gz WRBNLVJRLCKLMT-SNVBAGLBSA-N 1 0 297.786 2.821 10 5 CFBERO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000600962859 350638854 /nfs/dbraw/zinc/63/88/54/350638854.db2.gz OFIPPLOWZSJBOL-XYPYZODXSA-N 1 0 279.340 2.533 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962904 350638860 /nfs/dbraw/zinc/63/88/60/350638860.db2.gz PACQVBMAIRSDHQ-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO CCOc1cc(N[C@@H]2CC[NH2+][C@H]2CC)ccc1[N+](=O)[O-] ZINC000600950677 350635648 /nfs/dbraw/zinc/63/56/48/350635648.db2.gz CFOPYRYSGRKUDD-NWDGAFQWSA-N 1 0 279.340 2.546 10 5 CFBERO CCOc1cccc(N[C@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600954613 350636754 /nfs/dbraw/zinc/63/67/54/350636754.db2.gz FNACJFNACPPXCP-QWRGUYRKSA-N 1 0 279.340 2.546 10 5 CFBERO CCOc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051287 186348138 /nfs/dbraw/zinc/34/81/38/186348138.db2.gz TUUISKCFQDYASL-NWDGAFQWSA-N 1 0 293.367 2.794 10 5 CFBERO CC[C@H](NC(=O)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796078 189070517 /nfs/dbraw/zinc/07/05/17/189070517.db2.gz AROGSVYCAVSGEU-AWEZNQCLSA-N 1 0 293.367 2.502 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NCC[C@H]1CC[NH2+]C1 ZINC000236048400 189832436 /nfs/dbraw/zinc/83/24/36/189832436.db2.gz QCSHOAZPRHQPER-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO Cc1cc(NCCC[NH+](C)C)c2c(cccc2[N+](=O)[O-])n1 ZINC000028771470 372369702 /nfs/dbraw/zinc/36/97/02/372369702.db2.gz UPMLTCJVJYWXJW-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1NCC[NH+]1CCCCC1 ZINC000052120547 373437184 /nfs/dbraw/zinc/43/71/84/373437184.db2.gz RABDVNJINLUIOF-UHFFFAOYSA-N 1 0 267.304 2.632 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120028 373438224 /nfs/dbraw/zinc/43/82/24/373438224.db2.gz OUTRLXSWBMTFBN-LLVKDONJSA-N 1 0 267.304 2.630 10 5 CFBERO C[C@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129379731 377419053 /nfs/dbraw/zinc/41/90/53/377419053.db2.gz VNWBKKTVUOSIJZ-ZDUSSCGKSA-N 1 0 267.304 2.536 10 5 CFBERO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171690651 379373529 /nfs/dbraw/zinc/37/35/29/379373529.db2.gz GIMSBBMWTRZAOL-NSHDSACASA-N 1 0 266.366 2.575 10 5 CFBERO CC[C@@H](C)NC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181545960 380823974 /nfs/dbraw/zinc/82/39/74/380823974.db2.gz GCWMRQYNRCPNGE-BXUZGUMPSA-N 1 0 293.367 2.550 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183336526 381258261 /nfs/dbraw/zinc/25/82/61/381258261.db2.gz NRULTQIWBFGLBY-MRXNPFEDSA-N 1 0 291.395 2.819 10 5 CFBERO CCC[N@@H+]1CC[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302821054 382326699 /nfs/dbraw/zinc/32/66/99/382326699.db2.gz QBPHHJAGEPJEFO-LLVKDONJSA-N 1 0 281.331 2.878 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382494139 382532074 /nfs/dbraw/zinc/53/20/74/382532074.db2.gz IUOXWBMFWUUNGB-IUCAKERBSA-N 1 0 269.732 2.788 10 5 CFBERO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000336838957 382730986 /nfs/dbraw/zinc/73/09/86/382730986.db2.gz OAPBLZVDGLTYGP-NSHDSACASA-N 1 0 281.331 2.608 10 5 CFBERO CCC[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000233094292 382870681 /nfs/dbraw/zinc/87/06/81/382870681.db2.gz MQMRVYKNJXCQDY-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO CCC([NH3+])(CC)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000232992379 382870847 /nfs/dbraw/zinc/87/08/47/382870847.db2.gz QUUYYFPPGQYQJW-UHFFFAOYSA-N 1 0 273.283 2.802 10 5 CFBERO O=[N+]([O-])c1cc(Cl)c(N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236044210 382891822 /nfs/dbraw/zinc/89/18/22/382891822.db2.gz XJDKRXBCFULLBO-ZCFIWIBFSA-N 1 0 276.123 2.675 10 5 CFBERO [NH3+]C1(CNc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000236180867 382892500 /nfs/dbraw/zinc/89/25/00/382892500.db2.gz YOXWXTPKRGGRRR-UHFFFAOYSA-N 1 0 255.705 2.542 10 5 CFBERO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236223549 382892698 /nfs/dbraw/zinc/89/26/98/382892698.db2.gz NCWSXSOOTODBIS-ZDUSSCGKSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236162340 382892949 /nfs/dbraw/zinc/89/29/49/382892949.db2.gz NCWSXSOOTODBIS-CYBMUJFWSA-N 1 0 267.304 2.663 10 5 CFBERO C[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252121386 383404991 /nfs/dbraw/zinc/40/49/91/383404991.db2.gz JKCAWYREFHPLGO-ZANVPECISA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cc(NC[C@]2(C)CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261734547 383549881 /nfs/dbraw/zinc/54/98/81/383549881.db2.gz LLLUVPVWGAXIII-CQSZACIVSA-N 1 0 281.331 2.844 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1N1CCC([NH2+]CC2CC2)CC1 ZINC000261728036 285155608 /nfs/dbraw/zinc/15/56/08/285155608.db2.gz QUZGABKQDZXFDP-UHFFFAOYSA-N 1 0 293.342 2.702 10 5 CFBERO C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261569602 393947932 /nfs/dbraw/zinc/94/79/32/393947932.db2.gz NAAYXXZCVGNSCA-KOLCDFICSA-N 1 0 283.759 2.812 10 5 CFBERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000133574494 397603746 /nfs/dbraw/zinc/60/37/46/397603746.db2.gz QHWVHUVPTBIOJI-LLVKDONJSA-N 1 0 269.320 2.544 10 5 CFBERO Cc1cc(OCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000020525011 171238135 /nfs/dbraw/zinc/23/81/35/171238135.db2.gz WFYZIBRMEWIMDG-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO CC[NH+](CC)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526026 171238861 /nfs/dbraw/zinc/23/88/61/171238861.db2.gz SWAXGRFVLNDJNP-LBPRGKRZSA-N 1 0 265.357 2.587 10 5 CFBERO C=COCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526266 171239401 /nfs/dbraw/zinc/23/94/01/171239401.db2.gz UJCOGRLOLMLWIX-LLVKDONJSA-N 1 0 250.298 2.796 10 5 CFBERO Cc1cccc(OCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000035056596 171959263 /nfs/dbraw/zinc/95/92/63/171959263.db2.gz UVRMCPLUNFFYCM-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OC1CCCCC1 ZINC000035414555 172188371 /nfs/dbraw/zinc/18/83/71/172188371.db2.gz NSLQAKOTWKVPMD-UHFFFAOYSA-N 1 0 250.298 2.765 10 5 CFBERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNc1ccc([N+](=O)[O-])cc1)C2 ZINC000038019296 173996624 /nfs/dbraw/zinc/99/66/24/173996624.db2.gz PAMFEMYPVKBBOT-PHTAMDTFSA-N 1 0 275.352 2.880 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673510 174372447 /nfs/dbraw/zinc/37/24/47/174372447.db2.gz WNWGKSGUDPSCNM-SECBINFHSA-N 1 0 292.364 2.711 10 5 CFBERO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000040746382 174391648 /nfs/dbraw/zinc/39/16/48/174391648.db2.gz HSYLNMFWPDTFHC-FUNVUKJBSA-N 1 0 261.325 2.598 10 5 CFBERO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000041675576 174602044 /nfs/dbraw/zinc/60/20/44/174602044.db2.gz DHMJNCRIMXEJKP-UHFFFAOYSA-N 1 0 288.351 2.897 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1F ZINC000043499323 175058776 /nfs/dbraw/zinc/05/87/76/175058776.db2.gz VDSLDKWLMMVDOX-JTQLQIEISA-N 1 0 268.288 2.645 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c2ccncc21 ZINC000044493195 175181562 /nfs/dbraw/zinc/18/15/62/175181562.db2.gz VCLUYVXFDUTDFA-NSHDSACASA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1c(NC[C@@H]2CCC[NH2+]C2)ccc2ncccc21 ZINC000044503320 175186807 /nfs/dbraw/zinc/18/68/07/175186807.db2.gz YZJJSZZDZMOJDN-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503242 175186808 /nfs/dbraw/zinc/18/68/08/175186808.db2.gz CKKMCSWBQOAFLN-SECBINFHSA-N 1 0 292.364 2.616 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H]2c2ccccc2)o1 ZINC000044675409 175226879 /nfs/dbraw/zinc/22/68/79/175226879.db2.gz CVICXRZDJUAEHZ-STQMWFEESA-N 1 0 258.277 2.834 10 5 CFBERO CC1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000045117796 175311360 /nfs/dbraw/zinc/31/13/60/175311360.db2.gz QXXWJIVJAYIXHE-LLVKDONJSA-N 1 0 256.252 2.761 10 5 CFBERO Cc1nc2cc(NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc2s1 ZINC000070447902 175939437 /nfs/dbraw/zinc/93/94/37/175939437.db2.gz FEFONYZNBLUACU-VIFPVBQESA-N 1 0 294.380 2.908 10 5 CFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000070693828 176002128 /nfs/dbraw/zinc/00/21/28/176002128.db2.gz RFVFOPSTOCDIEB-HOTGVXAUSA-N 1 0 290.363 2.781 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000229595476 274419215 /nfs/dbraw/zinc/41/92/15/274419215.db2.gz ZWYHTDBMTWXRHV-KWQFWETISA-N 1 0 269.732 2.801 10 5 CFBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000041030095 274956348 /nfs/dbraw/zinc/95/63/48/274956348.db2.gz STWQVUUOGZWFQL-MRVPVSSYSA-N 1 0 289.257 2.541 10 5 CFBERO C[NH2+]CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000234354513 277265130 /nfs/dbraw/zinc/26/51/30/277265130.db2.gz WOKFAULWIYPYQP-UHFFFAOYSA-N 1 0 283.759 2.684 10 5 CFBERO C[C@H]([NH3+])C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000125202656 279394069 /nfs/dbraw/zinc/39/40/69/279394069.db2.gz OYAYWWHPSZGKEG-VIFPVBQESA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000235501563 279406815 /nfs/dbraw/zinc/40/68/15/279406815.db2.gz RMJWRIARWFNNGS-VHSXEESVSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]CC[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171207 279630565 /nfs/dbraw/zinc/63/05/65/279630565.db2.gz JVBQCVSZAKJIEH-JTQLQIEISA-N 1 0 283.759 2.813 10 5 CFBERO COc1cc(NCCC[NH2+]C(C)C)c(F)cc1[N+](=O)[O-] ZINC000563660935 290167097 /nfs/dbraw/zinc/16/70/97/290167097.db2.gz LWJVIEYENLCTTP-UHFFFAOYSA-N 1 0 285.319 2.543 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000261636003 295310086 /nfs/dbraw/zinc/31/00/86/295310086.db2.gz GNGDBCOQPNNJOK-CKYFFXLPSA-N 1 0 295.770 2.812 10 5 CFBERO CCOc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382450573 324428881 /nfs/dbraw/zinc/42/88/81/324428881.db2.gz DZHRQPVBDUCZMT-QWRGUYRKSA-N 1 0 279.340 2.675 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382506694 324429574 /nfs/dbraw/zinc/42/95/74/324429574.db2.gz MZWZMGWCQDSCPZ-WPRPVWTQSA-N 1 0 269.732 2.788 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000536960324 330384130 /nfs/dbraw/zinc/38/41/30/330384130.db2.gz YODLSEBXIURVBE-LBPRGKRZSA-N 1 0 294.351 2.963 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCC)c1 ZINC000050517112 519951765 /nfs/dbraw/zinc/95/17/65/519951765.db2.gz JWQZBPQIHVTKAO-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO CCOc1cccc(N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000311420510 521400038 /nfs/dbraw/zinc/40/00/38/521400038.db2.gz KOGQWUYWLNKYAN-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO CC(C)[NH2+]CCCOc1cccc(F)c1[N+](=O)[O-] ZINC000051872285 519720546 /nfs/dbraw/zinc/72/05/46/519720546.db2.gz HKAWBPWOMDAGLD-UHFFFAOYSA-N 1 0 256.277 2.501 10 5 CFBERO CC(C)[NH2+]Cc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288630 519726726 /nfs/dbraw/zinc/72/67/26/519726726.db2.gz CCKDGPMMJQUOCH-UHFFFAOYSA-N 1 0 294.351 2.651 10 5 CFBERO CC(C)Oc1cc(C[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000050517292 519778038 /nfs/dbraw/zinc/77/80/38/519778038.db2.gz OUBGICXGQBJYPT-UHFFFAOYSA-N 1 0 250.298 2.634 10 5 CFBERO CCC[NH2+]Cc1ccc(OCCCCCO)c([N+](=O)[O-])c1 ZINC000051019655 519951989 /nfs/dbraw/zinc/95/19/89/519951989.db2.gz BBQDKWPBAGQTCM-UHFFFAOYSA-N 1 0 296.367 2.636 10 5 CFBERO CCOc1ccc(C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000062730658 521000197 /nfs/dbraw/zinc/00/01/97/521000197.db2.gz GSOFEGDAVOTYDC-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO CCC[C@](C)([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439894 521277874 /nfs/dbraw/zinc/27/78/74/521277874.db2.gz OHWHOWOWFLVOPJ-AWEZNQCLSA-N 1 0 279.340 2.668 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231041 521626679 /nfs/dbraw/zinc/62/66/79/521626679.db2.gz YCZJOGGZKBFFJR-SECBINFHSA-N 1 0 284.747 2.539 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000050813799 522644156 /nfs/dbraw/zinc/64/41/56/522644156.db2.gz VPHTVTHCJQLRDR-SNVBAGLBSA-N 1 0 263.341 2.867 10 5 CFBERO COc1cc(N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1F ZINC000312467448 522764775 /nfs/dbraw/zinc/76/47/75/522764775.db2.gz GEPGARUSMBXPQZ-SECBINFHSA-N 1 0 285.319 2.672 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1C[NH3+] ZINC000050505896 522986670 /nfs/dbraw/zinc/98/66/70/522986670.db2.gz AXVKREAIHPJDIX-UHFFFAOYSA-N 1 0 292.266 2.994 10 5 CFBERO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049553771 524167400 /nfs/dbraw/zinc/16/74/00/524167400.db2.gz QEBJGECXAZZZJG-NEPJUHHUSA-N 1 0 265.357 2.586 10 5 CFBERO Cc1cc(C)c(OCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000050441963 524310845 /nfs/dbraw/zinc/31/08/45/524310845.db2.gz JPNWPPJVYUBPIO-UHFFFAOYSA-N 1 0 266.341 2.979 10 5 CFBERO C[C@H](C[NH+]1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049150181 524315413 /nfs/dbraw/zinc/31/54/13/524315413.db2.gz KLGUCCZEQKFBFO-LLVKDONJSA-N 1 0 297.786 2.822 10 5 CFBERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049188507 524321902 /nfs/dbraw/zinc/32/19/02/524321902.db2.gz LZKQCIQDWALMTB-SECBINFHSA-N 1 0 284.747 2.539 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000313495420 524457081 /nfs/dbraw/zinc/45/70/81/524457081.db2.gz JTBYBHKBYXBYDF-JTQLQIEISA-N 1 0 274.324 2.682 10 5 CFBERO C[C@H]([NH3+])c1cnn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000054716949 524868300 /nfs/dbraw/zinc/86/83/00/524868300.db2.gz VKUIBPWMUIYGIR-QMMMGPOBSA-N 1 0 280.715 2.513 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000157583470 524906137 /nfs/dbraw/zinc/90/61/37/524906137.db2.gz LBRJYZMJNGMSOZ-CQSZACIVSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N(C)CC[C@@H]([NH3+])C(C)C ZINC000158956398 524906642 /nfs/dbraw/zinc/90/66/42/524906642.db2.gz SBLNMTLAKNFKID-GFCCVEGCSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000061701231 524952166 /nfs/dbraw/zinc/95/21/66/524952166.db2.gz MNTXILHFLNTCOW-HIFRSBDPSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000050944549 525038389 /nfs/dbraw/zinc/03/83/89/525038389.db2.gz BGLAHGIZRQITJQ-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)c([N+](=O)[O-])cc1C ZINC000050439786 525213789 /nfs/dbraw/zinc/21/37/89/525213789.db2.gz AGBKSZPVPBLZRE-NSHDSACASA-N 1 0 279.340 2.524 10 5 CFBERO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000061701264 525272197 /nfs/dbraw/zinc/27/21/97/525272197.db2.gz RRPYPLVSMVJWBX-QYJAPNMZSA-N 1 0 261.325 2.598 10 5 CFBERO Cc1ccc(NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000061701015 525273537 /nfs/dbraw/zinc/27/35/37/525273537.db2.gz HQAXFNXBBRYOII-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000061686088 525462863 /nfs/dbraw/zinc/46/28/63/525462863.db2.gz HEQWVYJPHFQMPD-GWCFXTLKSA-N 1 0 266.341 2.765 10 5 CFBERO C[C@@H](Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050164104 525700060 /nfs/dbraw/zinc/70/00/60/525700060.db2.gz MLLVAINWBDJFPQ-ZJUUUORDSA-N 1 0 267.304 2.534 10 5 CFBERO Cc1c(N[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062724490 525877018 /nfs/dbraw/zinc/87/70/18/525877018.db2.gz ZRBUVTDGVXGUME-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1c([N+](=O)[O-])cccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201365 525930147 /nfs/dbraw/zinc/93/01/47/525930147.db2.gz MDBVKGITFKSSEM-CQSZACIVSA-N 1 0 289.379 2.872 10 5 CFBERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000050951646 526548452 /nfs/dbraw/zinc/54/84/52/526548452.db2.gz RVJPPEYDBDLXKE-JTQLQIEISA-N 1 0 295.314 2.595 10 5 CFBERO [NH3+]C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000155861696 527229269 /nfs/dbraw/zinc/22/92/69/527229269.db2.gz NNRRYQNYTOQUTD-NSHDSACASA-N 1 0 298.774 2.963 10 5 CFBERO O=[N+]([O-])c1c(NCC[C@H]2CCC[NH2+]2)ccc2ncccc21 ZINC000166830553 527321911 /nfs/dbraw/zinc/32/19/11/527321911.db2.gz PCMVQTZVRDDSCV-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCC[NH2+]1 ZINC000053255014 527329733 /nfs/dbraw/zinc/32/97/33/527329733.db2.gz ZFAKSOQQZICOOO-SECBINFHSA-N 1 0 289.257 2.778 10 5 CFBERO O=[N+]([O-])c1cc(F)cc(NCC[NH+]2CCCCC2)c1 ZINC000049575279 527336662 /nfs/dbraw/zinc/33/66/62/527336662.db2.gz ZBVKIFDEHBPDQE-UHFFFAOYSA-N 1 0 267.304 2.632 10 5 CFBERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000063214412 527341945 /nfs/dbraw/zinc/34/19/45/527341945.db2.gz CXLCJJKAWPZTIH-OLZOCXBDSA-N 1 0 267.304 2.806 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)nc1NCC[NH+]1CCCCC1 ZINC000049575873 527355793 /nfs/dbraw/zinc/35/57/93/527355793.db2.gz BVPAHBZILXMJJG-UHFFFAOYSA-N 1 0 284.747 2.541 10 5 CFBERO O=[N+]([O-])c1ccc(OCCC[NH2+]C2CC2)cc1Cl ZINC000050471334 527371508 /nfs/dbraw/zinc/37/15/08/527371508.db2.gz MTAOQCMAZAXQNM-UHFFFAOYSA-N 1 0 270.716 2.769 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000050470251 527372678 /nfs/dbraw/zinc/37/26/78/527372678.db2.gz ANGPODUAHGBCSN-SECBINFHSA-N 1 0 270.716 2.627 10 5 CFBERO Cc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050163930 618083070 /nfs/dbraw/zinc/08/30/70/618083070.db2.gz RHBVRRNWMUZGFS-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO CC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000233034265 618434271 /nfs/dbraw/zinc/43/42/71/618434271.db2.gz XMJZBDKHWXLTNM-UHFFFAOYSA-N 1 0 285.294 2.675 10 5 CFBERO CCOc1cc(N2CCCC[C@H]2C[NH2+]C)ccc1[N+](=O)[O-] ZINC000111051705 618970315 /nfs/dbraw/zinc/97/03/15/618970315.db2.gz WGMBJMGCFYXLRG-ZDUSSCGKSA-N 1 0 293.367 2.572 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000093874669 619063252 /nfs/dbraw/zinc/06/32/52/619063252.db2.gz RJPHCRPMNQURBC-UHFFFAOYSA-N 1 0 271.748 2.669 10 5 CFBERO Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261629260 619181511 /nfs/dbraw/zinc/18/15/11/619181511.db2.gz VRMBXKSUZWLUBQ-KOLCDFICSA-N 1 0 267.304 2.582 10 5 CFBERO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000262012390 619371014 /nfs/dbraw/zinc/37/10/14/619371014.db2.gz VEVWIPRVURDJLO-LBPRGKRZSA-N 1 0 297.786 2.822 10 5 CFBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070529645 625342570 /nfs/dbraw/zinc/34/25/70/625342570.db2.gz KLPRKDGPFJSVGX-OAHLLOKOSA-N 1 0 284.315 2.861 10 5 CFBERO CCC[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054267431 620383767 /nfs/dbraw/zinc/38/37/67/620383767.db2.gz VDXIALHQQOHTMH-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO COc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860577 623122457 /nfs/dbraw/zinc/12/24/57/623122457.db2.gz GNCROTSKMWEVBT-KOLCDFICSA-N 1 0 297.330 2.672 10 5 CFBERO CCOc1cccc(N[C@@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000229611003 623215286 /nfs/dbraw/zinc/21/52/86/623215286.db2.gz NOJWPMPDGYHWLU-WDEREUQCSA-N 1 0 279.340 2.546 10 5 CFBERO C[N+]1(CCC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000005764730 717101819 /nfs/dbraw/zinc/10/18/19/717101819.db2.gz QMRFNLPDUHFBFT-UHFFFAOYSA-O 1 0 291.459 2.702 10 5 CFBERO C[N+](C)(C)Cc1ncccc1OC(=O)c1ccccc1 ZINC000013208807 717106934 /nfs/dbraw/zinc/10/69/34/717106934.db2.gz YXJUMNQTJBDXHD-UHFFFAOYSA-N 1 0 271.340 2.507 10 5 CFBERO [NH3+]C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000594692317 349474695 /nfs/dbraw/zinc/47/46/95/349474695.db2.gz ZBESNZWTKMZOGE-UHFFFAOYSA-N 1 0 271.267 2.556 10 5 CFBERO COc1cc(NCCC[NH2+]C(C)C)c([N+](=O)[O-])cc1C ZINC000596029218 349778028 /nfs/dbraw/zinc/77/80/28/349778028.db2.gz ROZBXDGROCNLDO-UHFFFAOYSA-N 1 0 281.356 2.712 10 5 CFBERO C[NH2+]C[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000596032170 349778662 /nfs/dbraw/zinc/77/86/62/349778662.db2.gz HWQSSFVUGQPVQF-LURJTMIESA-N 1 0 278.139 2.921 10 5 CFBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037163565 346327661 /nfs/dbraw/zinc/32/76/61/346327661.db2.gz ZBXRSVXVNMWKPC-UBHSHLNASA-N 1 0 278.352 2.857 10 5 CFBERO C[NH+](C)CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000114627942 347774215 /nfs/dbraw/zinc/77/42/15/347774215.db2.gz RISUPFDXFWQPFW-UHFFFAOYSA-N 1 0 278.230 2.554 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217646886 348164949 /nfs/dbraw/zinc/16/49/49/348164949.db2.gz PVXXGRCGPAOBIE-CFVMTHIKSA-N 1 0 278.352 2.939 10 5 CFBERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000217628176 348165291 /nfs/dbraw/zinc/16/52/91/348165291.db2.gz AYEBLQSGUISVRD-VHRBIJSZSA-N 1 0 264.325 2.549 10 5 CFBERO CCOc1cc(N2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000251841989 348293824 /nfs/dbraw/zinc/29/38/24/348293824.db2.gz QXNJFXLLXSMDQS-DGCLKSJQSA-N 1 0 293.367 2.557 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320959414 348437143 /nfs/dbraw/zinc/43/71/43/348437143.db2.gz VMEYGFCGMLTYJC-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1CC1(C[NH3+])CCCC1 ZINC000087931350 179525765 /nfs/dbraw/zinc/52/57/65/179525765.db2.gz RRIJOLZRNCJIRV-UHFFFAOYSA-N 1 0 264.325 2.665 10 5 CFBERO CC[C@](C)(C[NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000087931366 179525938 /nfs/dbraw/zinc/52/59/38/179525938.db2.gz MLXCGXCHGOYBIC-ZDUSSCGKSA-N 1 0 252.314 2.521 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NCC1(C)CC[NH2+]CC1 ZINC000129483290 187433955 /nfs/dbraw/zinc/43/39/55/187433955.db2.gz NKPDTMOHDSWHOX-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000600963685 350638644 /nfs/dbraw/zinc/63/86/44/350638644.db2.gz YNFNFSOTCALTKE-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600963497 350638874 /nfs/dbraw/zinc/63/88/74/350638874.db2.gz WLEMROXULYGQJA-MGCOHNPYSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443489 187922055 /nfs/dbraw/zinc/92/20/55/187922055.db2.gz HCCRZJLKBVHIDG-PSASIEDQSA-N 1 0 284.747 2.573 10 5 CFBERO CCOc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000229596403 189800539 /nfs/dbraw/zinc/80/05/39/189800539.db2.gz KYXBVASWCSVCBE-ZYHUDNBSSA-N 1 0 279.340 2.546 10 5 CFBERO C[C@@H]([NH3+])CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000063171623 373791398 /nfs/dbraw/zinc/79/13/98/373791398.db2.gz PPXAELJNWMIFKX-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095077344 375406983 /nfs/dbraw/zinc/40/69/83/375406983.db2.gz ADGKWQYGVAXZIB-VHSXEESVSA-N 1 0 292.364 2.886 10 5 CFBERO COc1cc(NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000129286761 377406633 /nfs/dbraw/zinc/40/66/33/377406633.db2.gz RJKGSEBEDUQXIU-CQSZACIVSA-N 1 0 297.330 2.544 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000175047056 379984658 /nfs/dbraw/zinc/98/46/58/379984658.db2.gz JXWGKXJEROCLDK-GDBMZVCRSA-N 1 0 289.379 2.653 10 5 CFBERO CCOc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382450367 382530100 /nfs/dbraw/zinc/53/01/00/382530100.db2.gz DSAYHESOKPSANO-MNOVXSKESA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382487226 382531991 /nfs/dbraw/zinc/53/19/91/382531991.db2.gz GYIDCBRJGADBHA-IUCAKERBSA-N 1 0 269.732 2.788 10 5 CFBERO CC(C)[NH2+]CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000577209083 382851760 /nfs/dbraw/zinc/85/17/60/382851760.db2.gz FDJSVPXTJDWRNY-UHFFFAOYSA-N 1 0 255.293 2.534 10 5 CFBERO CCOc1cc(N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000233801902 382872221 /nfs/dbraw/zinc/87/22/21/382872221.db2.gz UMFUVALONFQULZ-ZDUSSCGKSA-N 1 0 293.367 2.923 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248135893 383213431 /nfs/dbraw/zinc/21/34/31/383213431.db2.gz PBJCSTOHYJMHMT-WHOFXGATSA-N 1 0 278.352 2.797 10 5 CFBERO C[C@@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282172191 385235887 /nfs/dbraw/zinc/23/58/87/385235887.db2.gz JJCVCZJCWGRIOX-JGPRNRPPSA-N 1 0 284.381 2.950 10 5 CFBERO C[NH2+][C@H]1CCC[C@H]1Sc1ccccc1[N+](=O)[O-] ZINC000081777141 177858260 /nfs/dbraw/zinc/85/82/60/177858260.db2.gz FYEPERZYMCHLAB-GXSJLCMTSA-N 1 0 252.339 2.827 10 5 CFBERO O=[N+]([O-])c1ccc2oc(OCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092042 184941434 /nfs/dbraw/zinc/94/14/34/184941434.db2.gz IDRHMLSMIMIESC-JTQLQIEISA-N 1 0 291.307 2.647 10 5 CFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000253356460 131142283 /nfs/dbraw/zinc/14/22/83/131142283.db2.gz RFVFOPSTOCDIEB-CVEARBPZSA-N 1 0 290.363 2.781 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000181337948 393493729 /nfs/dbraw/zinc/49/37/29/393493729.db2.gz AWMKOFXJLABIHU-NSHDSACASA-N 1 0 292.314 2.590 10 5 CFBERO C[C@@H](C[NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000420212878 394096722 /nfs/dbraw/zinc/09/67/22/394096722.db2.gz GZXVHVFDQLRFHP-LURJTMIESA-N 1 0 278.139 2.908 10 5 CFBERO C[C@H](C[NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000011886746 170452482 /nfs/dbraw/zinc/45/24/82/170452482.db2.gz YRPRSDRYMSKZLS-MRVPVSSYSA-N 1 0 263.322 2.781 10 5 CFBERO CC(C)[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020145974 171031801 /nfs/dbraw/zinc/03/18/01/171031801.db2.gz WAIKPJOBWOHQMF-SWLSCSKDSA-N 1 0 279.384 2.832 10 5 CFBERO C[C@H]([NH2+]Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000020526217 171239254 /nfs/dbraw/zinc/23/92/54/171239254.db2.gz OUZPQGZXWPSPGW-NSHDSACASA-N 1 0 257.293 2.841 10 5 CFBERO C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000020526216 171239518 /nfs/dbraw/zinc/23/95/18/171239518.db2.gz OUZPQGZXWPSPGW-LLVKDONJSA-N 1 0 257.293 2.841 10 5 CFBERO C[NH+](C)C[C@H](c1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1 ZINC000026740461 171497945 /nfs/dbraw/zinc/49/79/45/171497945.db2.gz FVBFFORJALCGMO-OAHLLOKOSA-N 1 0 292.379 2.935 10 5 CFBERO C[NH+](C)CC(C)(C)CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331782 173132917 /nfs/dbraw/zinc/13/29/17/173132917.db2.gz IJOHWAUJZDIJBJ-UHFFFAOYSA-N 1 0 286.763 2.643 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]CC2CC2)c(Br)c1 ZINC000037460573 173224965 /nfs/dbraw/zinc/22/49/65/173224965.db2.gz PXFUTUSCLTXPBM-UHFFFAOYSA-N 1 0 285.141 2.857 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050625 174062199 /nfs/dbraw/zinc/06/21/99/174062199.db2.gz BAUNOVMIBMDHAI-ZJUUUORDSA-N 1 0 269.732 2.930 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000038080199 174089847 /nfs/dbraw/zinc/08/98/47/174089847.db2.gz TYFUCJGPJRIFLS-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673509 174372099 /nfs/dbraw/zinc/37/20/99/174372099.db2.gz WNWGKSGUDPSCNM-VIFPVBQESA-N 1 0 292.364 2.711 10 5 CFBERO [NH3+][C@@H]1CCCc2c1ccn2Cc1ccc([N+](=O)[O-])cc1 ZINC000041731655 174619741 /nfs/dbraw/zinc/61/97/41/174619741.db2.gz NWXMTOWAYKZAEE-CQSZACIVSA-N 1 0 271.320 2.781 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042401894 174710469 /nfs/dbraw/zinc/71/04/69/174710469.db2.gz BTSCETDGVFLJQZ-JOYOIKCWSA-N 1 0 252.289 2.794 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000044503178 175186459 /nfs/dbraw/zinc/18/64/59/175186459.db2.gz WQINKWWOVBBPFI-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000044675415 175226877 /nfs/dbraw/zinc/22/68/77/175226877.db2.gz CVICXRZDJUAEHZ-CHWSQXEVSA-N 1 0 258.277 2.834 10 5 CFBERO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189065 176064564 /nfs/dbraw/zinc/06/45/64/176064564.db2.gz JEOLEMDNASJFJT-GFCCVEGCSA-N 1 0 297.786 2.632 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659467 265248729 /nfs/dbraw/zinc/24/87/29/265248729.db2.gz GSVCREJZHXLHON-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000235331754 274304243 /nfs/dbraw/zinc/30/42/43/274304243.db2.gz RANKNQXPFIQAFK-ZJUUUORDSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000229599396 274419196 /nfs/dbraw/zinc/41/91/96/274419196.db2.gz BLWRYEXEKNTLHK-GWCFXTLKSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095077346 274955994 /nfs/dbraw/zinc/95/59/94/274955994.db2.gz ADGKWQYGVAXZIB-NXEZZACHSA-N 1 0 292.364 2.886 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000235170924 278317835 /nfs/dbraw/zinc/31/78/35/278317835.db2.gz RMJWRIARWFNNGS-ZJUUUORDSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000094663395 281014784 /nfs/dbraw/zinc/01/47/84/281014784.db2.gz PCRUCQBKBAKYHL-VXGBXAGGSA-N 1 0 263.341 2.833 10 5 CFBERO Cc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000275461791 281229176 /nfs/dbraw/zinc/22/91/76/281229176.db2.gz MUMUTZPXNYFCSG-CYBMUJFWSA-N 1 0 275.352 2.578 10 5 CFBERO CC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813061 522063836 /nfs/dbraw/zinc/06/38/36/522063836.db2.gz HQNWKTBYYMWYKU-SNVBAGLBSA-N 1 0 251.330 2.867 10 5 CFBERO CC(C)(C)[NH2+]CCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000052065660 518755177 /nfs/dbraw/zinc/75/51/77/518755177.db2.gz ADMFIUXENXBTEI-UHFFFAOYSA-N 1 0 270.304 2.891 10 5 CFBERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051015395 518768811 /nfs/dbraw/zinc/76/88/11/518768811.db2.gz KFQXHLOQQZYFRU-UHFFFAOYSA-N 1 0 288.351 2.728 10 5 CFBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517207 519727204 /nfs/dbraw/zinc/72/72/04/519727204.db2.gz XVFXOIRQJIKSSO-UHFFFAOYSA-N 1 0 260.240 2.694 10 5 CFBERO CC[NH2+]CCCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441961 519920173 /nfs/dbraw/zinc/92/01/73/519920173.db2.gz OXHYZFVFTMYAMU-UHFFFAOYSA-N 1 0 252.314 2.590 10 5 CFBERO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259113 519948808 /nfs/dbraw/zinc/94/88/08/519948808.db2.gz POYJXACIROKQAX-UHFFFAOYSA-N 1 0 296.367 2.898 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000050517120 519951982 /nfs/dbraw/zinc/95/19/82/519951982.db2.gz JDOFVIKJLRAGNL-UHFFFAOYSA-N 1 0 252.314 2.882 10 5 CFBERO C[NH2+]CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440568 521999025 /nfs/dbraw/zinc/99/90/25/521999025.db2.gz AFFBQXRKOBCGNW-UHFFFAOYSA-N 1 0 279.123 2.890 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCC2CCCC2)c1 ZINC000050516638 522125133 /nfs/dbraw/zinc/12/51/33/522125133.db2.gz GVMKWRICIKSNFN-UHFFFAOYSA-N 1 0 264.325 2.883 10 5 CFBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Br ZINC000082579483 522330658 /nfs/dbraw/zinc/33/06/58/522330658.db2.gz FDKAVJLFUSNLMA-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000050813314 522645978 /nfs/dbraw/zinc/64/59/78/522645978.db2.gz CPWMPGJQDAXGSZ-GFCCVEGCSA-N 1 0 281.381 2.574 10 5 CFBERO COc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108888 522767149 /nfs/dbraw/zinc/76/71/49/522767149.db2.gz OESPGUKLCAREMV-JQWIXIFHSA-N 1 0 279.340 2.533 10 5 CFBERO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000159497465 523222892 /nfs/dbraw/zinc/22/28/92/523222892.db2.gz OBFLXOSGOZOVOJ-UHFFFAOYSA-N 1 0 285.775 2.665 10 5 CFBERO C[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000051146899 523265687 /nfs/dbraw/zinc/26/56/87/523265687.db2.gz OKGRARGMFYTNBG-UHFFFAOYSA-N 1 0 278.356 2.645 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000052205611 523797312 /nfs/dbraw/zinc/79/73/12/523797312.db2.gz VPTBYXUNKSMJDT-AWEZNQCLSA-N 1 0 277.368 2.559 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000311698046 524136893 /nfs/dbraw/zinc/13/68/93/524136893.db2.gz LNMVXPJBNGRJCY-MRVPVSSYSA-N 1 0 273.283 2.802 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000313555360 524139185 /nfs/dbraw/zinc/13/91/85/524139185.db2.gz SNRKTQDYONKYRT-SNVBAGLBSA-N 1 0 274.324 2.682 10 5 CFBERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149957 524319167 /nfs/dbraw/zinc/31/91/67/524319167.db2.gz ATXPPFVVCPXKSW-OLZOCXBDSA-N 1 0 277.368 2.730 10 5 CFBERO Cc1ccc(COc2cc(C[NH3+])ccc2[N+](=O)[O-])cc1 ZINC000050516609 524626021 /nfs/dbraw/zinc/62/60/21/524626021.db2.gz RXDAENXNULUGJI-UHFFFAOYSA-N 1 0 272.304 2.941 10 5 CFBERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274039 524963010 /nfs/dbraw/zinc/96/30/10/524963010.db2.gz HCUGAXLBCJLPMJ-OIBJUYFYSA-N 1 0 285.141 2.855 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCCN1c1c(F)c(F)ccc1[N+](=O)[O-] ZINC000063196713 525020532 /nfs/dbraw/zinc/02/05/32/525020532.db2.gz RWTDVRPWMQDDGN-PSASIEDQSA-N 1 0 285.294 2.579 10 5 CFBERO C[C@@H]([NH3+])c1cnn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000054716950 525032110 /nfs/dbraw/zinc/03/21/10/525032110.db2.gz VKUIBPWMUIYGIR-MRVPVSSYSA-N 1 0 280.715 2.513 10 5 CFBERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1C ZINC000050439803 525116787 /nfs/dbraw/zinc/11/67/87/525116787.db2.gz GPHXAQLAAXGJSQ-UHFFFAOYSA-N 1 0 291.351 2.668 10 5 CFBERO Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1C ZINC000050439841 525128698 /nfs/dbraw/zinc/12/86/98/525128698.db2.gz YQUYZOZMDYCHLN-UHFFFAOYSA-N 1 0 293.367 2.928 10 5 CFBERO Cc1ccc(NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000061700667 525274127 /nfs/dbraw/zinc/27/41/27/525274127.db2.gz ZLWQBNNSXQTBMX-UHFFFAOYSA-N 1 0 265.357 2.903 10 5 CFBERO Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108799 525295650 /nfs/dbraw/zinc/29/56/50/525295650.db2.gz OQELPZYTMBBAFZ-WCQYABFASA-N 1 0 263.341 2.833 10 5 CFBERO Cc1cc(N[C@H]2CCCCC[C@@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000063214710 525302109 /nfs/dbraw/zinc/30/21/09/525302109.db2.gz XQMSMYXVHUBYLK-STQMWFEESA-N 1 0 263.341 2.975 10 5 CFBERO Cc1cc(N[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000049219096 525303225 /nfs/dbraw/zinc/30/32/25/525303225.db2.gz CAXLLKLUITXHAD-CYBMUJFWSA-N 1 0 265.357 2.901 10 5 CFBERO Cc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701292 525310612 /nfs/dbraw/zinc/31/06/12/525310612.db2.gz USWGCGCCLKQLIK-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246145118 525705431 /nfs/dbraw/zinc/70/54/31/525705431.db2.gz FHIIIBLDEXOHHG-HNNXBMFYSA-N 1 0 289.379 2.573 10 5 CFBERO COc1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261865263 526207130 /nfs/dbraw/zinc/20/71/30/526207130.db2.gz YIQGSWHRDGFJCY-UHFFFAOYSA-N 1 0 279.340 2.677 10 5 CFBERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000050944567 526565422 /nfs/dbraw/zinc/56/54/22/526565422.db2.gz JDMFGRCTRJSCGR-SNVBAGLBSA-N 1 0 295.314 2.595 10 5 CFBERO [NH3+]C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000155861808 527206547 /nfs/dbraw/zinc/20/65/47/527206547.db2.gz NNRRYQNYTOQUTD-LLVKDONJSA-N 1 0 298.774 2.963 10 5 CFBERO [NH3+]Cc1ccc(OCc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000050871968 527257456 /nfs/dbraw/zinc/25/74/56/527257456.db2.gz BJCKQFRFIDCOET-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C2CCC2)ccc1Br ZINC000052208197 527328943 /nfs/dbraw/zinc/32/89/43/527328943.db2.gz MGZRJERWZNACEA-UHFFFAOYSA-N 1 0 285.141 2.999 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c2ncccc12 ZINC000166851232 527365018 /nfs/dbraw/zinc/36/50/18/527365018.db2.gz SJGYTSZMMRLGKA-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO Cc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050163932 618082819 /nfs/dbraw/zinc/08/28/19/618082819.db2.gz RHBVRRNWMUZGFS-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCC[NH2+]C1 ZINC000236048546 618604565 /nfs/dbraw/zinc/60/45/65/618604565.db2.gz KFNNBDWGXHCHLE-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000229597845 623214223 /nfs/dbraw/zinc/21/42/23/623214223.db2.gz BZMHWVNINWKMOM-ZYHUDNBSSA-N 1 0 286.335 2.695 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cc1F ZINC000130078494 645450209 /nfs/dbraw/zinc/45/02/09/645450209.db2.gz ZLDYLEIMIMRDJK-UHFFFAOYSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000253187935 651039564 /nfs/dbraw/zinc/03/95/64/651039564.db2.gz JNEGPDJJXTWPMU-VHSXEESVSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000300246002 647319634 /nfs/dbraw/zinc/31/96/34/647319634.db2.gz HQCLJQQCOJNWKM-LHLIQPBNSA-N 1 0 290.150 2.685 10 5 CFBERO CCc1ccc([N+](C)(C)C)c(OC(=O)N(C)C)c1 ZINC000001998851 717092317 /nfs/dbraw/zinc/09/23/17/717092317.db2.gz WYFJVYCPIIKKOO-UHFFFAOYSA-N 1 0 251.350 2.506 10 5 CFBERO CC[N+](C)(CC)Cc1ccccc1OC(=O)N(C)C ZINC000001998845 717092234 /nfs/dbraw/zinc/09/22/34/717092234.db2.gz CGULCTFHAFDMQT-UHFFFAOYSA-N 1 0 265.377 2.733 10 5 CFBERO CC[C@H](c1ccc(OC(=O)NC)cc1)[N+](C)(C)C ZINC000005651490 717100505 /nfs/dbraw/zinc/10/05/05/717100505.db2.gz WRUNFVLONFRDPL-CYBMUJFWSA-O 1 0 251.350 2.562 10 5 CFBERO C[C@](O)(C#Cc1ccccc1)CC[N+]1(C)CCCCC1 ZINC000033756333 717122197 /nfs/dbraw/zinc/12/21/97/717122197.db2.gz LLOQJXLENQOCIM-SFHVURJKSA-N 1 0 272.412 2.810 10 5 CFBERO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000594693805 349474682 /nfs/dbraw/zinc/47/46/82/349474682.db2.gz VGRGTLOBHAJKFO-UHFFFAOYSA-N 1 0 291.273 2.787 10 5 CFBERO CC(C)[C@H]([NH3+])CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596030222 349778696 /nfs/dbraw/zinc/77/86/96/349778696.db2.gz PBLDMCLGEWSXTN-SNVBAGLBSA-N 1 0 255.293 2.519 10 5 CFBERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163510 346327837 /nfs/dbraw/zinc/32/78/37/346327837.db2.gz QQCOPMFDKCWOCL-JKOKRWQUSA-N 1 0 264.325 2.549 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCC[NH2+]1 ZINC000130585936 347872458 /nfs/dbraw/zinc/87/24/58/347872458.db2.gz PURORYKZDOQHLG-NSHDSACASA-N 1 0 286.335 2.697 10 5 CFBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000217622344 348165285 /nfs/dbraw/zinc/16/52/85/348165285.db2.gz ZBXRSVXVNMWKPC-IACUBPJLSA-N 1 0 278.352 2.857 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320959411 348437231 /nfs/dbraw/zinc/43/72/31/348437231.db2.gz VMEYGFCGMLTYJC-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO C[NH+](C)Cc1cccc2c(=O)c3ccccc3[nH]c12 ZINC000584640571 348699492 /nfs/dbraw/zinc/69/94/92/348699492.db2.gz CVTTYDAYFKWCDL-UHFFFAOYSA-N 1 0 252.317 2.743 10 5 CFBERO CC[C@H]([NH3+])CNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000104212686 185933135 /nfs/dbraw/zinc/93/31/35/185933135.db2.gz VMOSMQAXRVZNRJ-QMMMGPOBSA-N 1 0 280.353 2.662 10 5 CFBERO C[C@@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105489250 186060171 /nfs/dbraw/zinc/06/01/71/186060171.db2.gz WRBNLVJRLCKLMT-JTQLQIEISA-N 1 0 297.786 2.821 10 5 CFBERO CCc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809854 188919645 /nfs/dbraw/zinc/91/96/45/188919645.db2.gz VTADVCAMTFVAJN-GFCCVEGCSA-N 1 0 288.351 2.705 10 5 CFBERO [NH3+]C[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095072421 283500627 /nfs/dbraw/zinc/50/06/27/283500627.db2.gz XHYFFGWLSNCLIG-SNVBAGLBSA-N 1 0 292.364 2.522 10 5 CFBERO CC[C@@H](NC(=O)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000177788745 189069464 /nfs/dbraw/zinc/06/94/64/189069464.db2.gz KKKDXYNQTDESDU-CQSZACIVSA-N 1 0 293.367 2.504 10 5 CFBERO COc1cc(N[C@H](C[NH3+])C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000227861362 189788910 /nfs/dbraw/zinc/78/89/10/189788910.db2.gz WHAVUONQHAHBAU-GFCCVEGCSA-N 1 0 297.330 2.672 10 5 CFBERO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000235256345 189826245 /nfs/dbraw/zinc/82/62/45/189826245.db2.gz LSEVBSWOPJPVBC-BDAKNGLRSA-N 1 0 285.294 2.673 10 5 CFBERO CC[N+]1(CC)C[C@H](C)O[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000162676 371547016 /nfs/dbraw/zinc/54/70/16/371547016.db2.gz NIMLGHCVCRUGIZ-SWLSCSKDSA-N 1 0 284.807 2.760 10 5 CFBERO C[NH+](C)CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000001630811 371690391 /nfs/dbraw/zinc/69/03/91/371690391.db2.gz UOSZAJRVPAXWQM-UHFFFAOYSA-N 1 0 274.324 2.507 10 5 CFBERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518599 372108497 /nfs/dbraw/zinc/10/84/97/372108497.db2.gz MIBFDCITSMDLCG-GHMZBOCLSA-N 1 0 279.340 2.556 10 5 CFBERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518600 372108953 /nfs/dbraw/zinc/10/89/53/372108953.db2.gz MIBFDCITSMDLCG-WDEREUQCSA-N 1 0 279.340 2.556 10 5 CFBERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518591 372109053 /nfs/dbraw/zinc/10/90/53/372109053.db2.gz RZNCCVYBIWRNOZ-GHMZBOCLSA-N 1 0 279.340 2.556 10 5 CFBERO Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050163669 373359823 /nfs/dbraw/zinc/35/98/23/373359823.db2.gz VEDQDCKVTVJALX-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO O=[N+]([O-])c1ccc2sc(OC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092070 375412965 /nfs/dbraw/zinc/41/29/65/375412965.db2.gz LEBMAXIXGANEHO-VIFPVBQESA-N 1 0 293.348 2.725 10 5 CFBERO Cc1cc(N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111830297 375872342 /nfs/dbraw/zinc/87/23/42/375872342.db2.gz CBUNNOKOYCMPFX-LBPRGKRZSA-N 1 0 251.330 2.689 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000175056036 379987156 /nfs/dbraw/zinc/98/71/56/379987156.db2.gz NHPCKUGXXSKHAB-HUUCEWRRSA-N 1 0 289.379 2.653 10 5 CFBERO C[NH+](C)C(C)(C)CNc1ccc2scnc2c1[N+](=O)[O-] ZINC000043411903 184560232 /nfs/dbraw/zinc/56/02/32/184560232.db2.gz LMKZKSXNIWLUIR-UHFFFAOYSA-N 1 0 294.380 2.957 10 5 CFBERO CC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000389257693 382613359 /nfs/dbraw/zinc/61/33/59/382613359.db2.gz COGCLBXVSRGFEC-JTQLQIEISA-N 1 0 267.304 2.548 10 5 CFBERO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000235256225 382878992 /nfs/dbraw/zinc/87/89/92/382878992.db2.gz LSEVBSWOPJPVBC-RKDXNWHRSA-N 1 0 285.294 2.673 10 5 CFBERO O=[N+]([O-])c1cc(Cl)c(N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236044427 382891710 /nfs/dbraw/zinc/89/17/10/382891710.db2.gz XJDKRXBCFULLBO-LURJTMIESA-N 1 0 276.123 2.675 10 5 CFBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000261589410 383522397 /nfs/dbraw/zinc/52/23/97/383522397.db2.gz KQKQDEHJLIHKDO-UHFFFAOYSA-N 1 0 267.304 2.807 10 5 CFBERO Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261827464 383567173 /nfs/dbraw/zinc/56/71/73/383567173.db2.gz UKAHDGZIKZRBRO-PWSUYJOCSA-N 1 0 281.331 2.972 10 5 CFBERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000282141336 385224910 /nfs/dbraw/zinc/22/49/10/385224910.db2.gz GYTNCQXNMOCXJZ-CLLJXQQHSA-N 1 0 278.352 2.888 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC3CC[NH2+]CC3)nc2c1 ZINC000095092194 184941495 /nfs/dbraw/zinc/94/14/95/184941495.db2.gz ZWBMBTLVZUJESQ-UHFFFAOYSA-N 1 0 279.321 2.580 10 5 CFBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000251853344 131131399 /nfs/dbraw/zinc/13/13/99/131131399.db2.gz RRRAHFQPEBDQSR-QMTHXVAHSA-N 1 0 297.786 2.630 10 5 CFBERO CCC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021011373 171287146 /nfs/dbraw/zinc/28/71/46/171287146.db2.gz GJUVKFMNVGRDJD-SNVBAGLBSA-N 1 0 252.314 2.882 10 5 CFBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC1CCCC1 ZINC000035414670 172188420 /nfs/dbraw/zinc/18/84/20/172188420.db2.gz XJZPHPUWDDCFEM-UHFFFAOYSA-N 1 0 250.298 2.636 10 5 CFBERO [NH3+][C@@H](Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000035576257 172273226 /nfs/dbraw/zinc/27/32/26/172273226.db2.gz HPVMOHKTESMWFU-LBPRGKRZSA-N 1 0 282.303 2.714 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+]CCc1ccco1 ZINC000038059498 174069178 /nfs/dbraw/zinc/06/91/78/174069178.db2.gz NOORRLTWTXXCFF-UHFFFAOYSA-N 1 0 264.256 2.659 10 5 CFBERO [NH3+]Cc1cc(F)ccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080494 174090089 /nfs/dbraw/zinc/09/00/89/174090089.db2.gz GXOVHMOOXNMAQZ-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[C@H](CNc1ccc2scnc2c1[N+](=O)[O-])[NH+](C)C ZINC000038089163 174102571 /nfs/dbraw/zinc/10/25/71/174102571.db2.gz UJROCPXDAYOMOR-MRVPVSSYSA-N 1 0 280.353 2.567 10 5 CFBERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000038129223 174131529 /nfs/dbraw/zinc/13/15/29/174131529.db2.gz UAWKBQBKPUDPCI-JTQLQIEISA-N 1 0 250.229 2.569 10 5 CFBERO [NH3+][C@H](Cc1cccc(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000038129882 174131799 /nfs/dbraw/zinc/13/17/99/174131799.db2.gz IFGFBGGGZFPTEG-SNVBAGLBSA-N 1 0 250.229 2.569 10 5 CFBERO CCN1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502642 174299060 /nfs/dbraw/zinc/29/90/60/174299060.db2.gz WGWXAAFHSKXCJJ-GFCCVEGCSA-N 1 0 297.786 2.822 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040673511 174371940 /nfs/dbraw/zinc/37/19/40/174371940.db2.gz BUIZIFZEJCDFPK-VIFPVBQESA-N 1 0 269.732 2.754 10 5 CFBERO C[N@@H+]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673489 174372085 /nfs/dbraw/zinc/37/20/85/174372085.db2.gz QRSRFVUWKXDUMW-NSHDSACASA-N 1 0 286.335 2.649 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040673512 174372237 /nfs/dbraw/zinc/37/22/37/174372237.db2.gz BUIZIFZEJCDFPK-SECBINFHSA-N 1 0 269.732 2.754 10 5 CFBERO Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000040747287 174392790 /nfs/dbraw/zinc/39/27/90/174392790.db2.gz PXIKWXYAUWRCMI-FUNVUKJBSA-N 1 0 275.352 2.622 10 5 CFBERO O=[N+]([O-])c1cccc(NCC[NH+]2CCCCCC2)c1 ZINC000040768082 174398741 /nfs/dbraw/zinc/39/87/41/174398741.db2.gz HAOQIYFRBXTGDH-UHFFFAOYSA-N 1 0 263.341 2.883 10 5 CFBERO CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473360 175053653 /nfs/dbraw/zinc/05/36/53/175053653.db2.gz PZLHTDJRUTWVJR-UHFFFAOYSA-N 1 0 256.277 2.501 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1OCC[C@@H]1CCCC[NH2+]1 ZINC000043499234 175057956 /nfs/dbraw/zinc/05/79/56/175057956.db2.gz YROZZRQDDLCZOD-NSHDSACASA-N 1 0 268.288 2.645 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000043499265 175058019 /nfs/dbraw/zinc/05/80/19/175058019.db2.gz ODFJXGAESDDBNB-JTQLQIEISA-N 1 0 268.288 2.645 10 5 CFBERO CC(C)[NH+](CCNc1cc([N+](=O)[O-])ccn1)C(C)C ZINC000043567605 175067528 /nfs/dbraw/zinc/06/75/28/175067528.db2.gz VXQMVKBFHARCPI-UHFFFAOYSA-N 1 0 266.345 2.521 10 5 CFBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561400 175204580 /nfs/dbraw/zinc/20/45/80/175204580.db2.gz LYPSBBKAOKWDIU-DOMZBBRYSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561399 175205208 /nfs/dbraw/zinc/20/52/08/175205208.db2.gz LYPSBBKAOKWDIU-WFASDCNBSA-N 1 0 277.368 2.730 10 5 CFBERO CCC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000044652036 175225028 /nfs/dbraw/zinc/22/50/28/175225028.db2.gz UIEIOBPWIMFGRZ-UHFFFAOYSA-N 1 0 274.324 2.793 10 5 CFBERO O=[N+]([O-])c1ccccc1-c1ncc(C[NH2+]C2CC2)s1 ZINC000044732098 175240891 /nfs/dbraw/zinc/24/08/91/175240891.db2.gz JNVNGMBMMIAMJP-UHFFFAOYSA-N 1 0 275.333 2.970 10 5 CFBERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000045171457 175320909 /nfs/dbraw/zinc/32/09/09/175320909.db2.gz MKSXGEFWKGLTCS-JTQLQIEISA-N 1 0 288.351 2.796 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000089092097 274949449 /nfs/dbraw/zinc/94/94/49/274949449.db2.gz VOWNQFYCDFKATB-GWCFXTLKSA-N 1 0 286.335 2.682 10 5 CFBERO CC[NH2+]CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261765358 276419902 /nfs/dbraw/zinc/41/99/02/276419902.db2.gz OFFPNWJMXZDKAW-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO CC1(C)CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261581466 278341524 /nfs/dbraw/zinc/34/15/24/278341524.db2.gz GBVQETGITHTWKY-NSHDSACASA-N 1 0 283.759 2.812 10 5 CFBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261778492 289041101 /nfs/dbraw/zinc/04/11/01/289041101.db2.gz PHWXKRBMAKGNBV-VXNVDRBHSA-N 1 0 289.257 2.540 10 5 CFBERO CC(C)(C)CCOc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000049254176 518654710 /nfs/dbraw/zinc/65/47/10/518654710.db2.gz HEYBALVRJOGAJN-UHFFFAOYSA-N 1 0 252.314 2.869 10 5 CFBERO CC(C)[N@H+](CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445215 519644124 /nfs/dbraw/zinc/64/41/24/519644124.db2.gz JGCCQTWJOFIEOT-UHFFFAOYSA-N 1 0 286.759 2.841 10 5 CFBERO CC[NH2+]CCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000051868924 519925578 /nfs/dbraw/zinc/92/55/78/519925578.db2.gz WVOVYFIFLFZEBB-UHFFFAOYSA-N 1 0 278.230 2.602 10 5 CFBERO CC(C)(C)[NH2+]CCCc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC000050617884 518756327 /nfs/dbraw/zinc/75/63/27/518756327.db2.gz VWYQJESMNMKPBC-UHFFFAOYSA-N 1 0 294.311 2.559 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049218809 519814964 /nfs/dbraw/zinc/81/49/64/519814964.db2.gz DJSPTGMMGHOPOO-ZDUSSCGKSA-N 1 0 251.330 2.593 10 5 CFBERO CCC[NH2+]Cc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000051005194 519968010 /nfs/dbraw/zinc/96/80/10/519968010.db2.gz OSDOKELHRITLKW-UHFFFAOYSA-N 1 0 288.351 2.534 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2c(C)cccc2[N+](=O)[O-])o1 ZINC000050619022 520181479 /nfs/dbraw/zinc/18/14/79/520181479.db2.gz BFOCBEITONIHMQ-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000050814688 520330498 /nfs/dbraw/zinc/33/04/98/520330498.db2.gz VXNHFBYZKJQLPU-LLVKDONJSA-N 1 0 263.341 2.868 10 5 CFBERO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050793098 520420185 /nfs/dbraw/zinc/42/01/85/520420185.db2.gz ZUQRWHMWBZNHHZ-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CCCC[N@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050793095 520420592 /nfs/dbraw/zinc/42/05/92/520420592.db2.gz AIHOQEKZZYIGEL-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CCOc1cc(N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089092221 520766822 /nfs/dbraw/zinc/76/68/22/520766822.db2.gz GADRIXAHXWVDQM-JQWIXIFHSA-N 1 0 279.340 2.533 10 5 CFBERO CC[N@@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000050815166 521322085 /nfs/dbraw/zinc/32/20/85/521322085.db2.gz NOHVTDPAGZJMPO-CYBMUJFWSA-N 1 0 293.367 2.637 10 5 CFBERO CCC[N@H+](CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050812868 521615069 /nfs/dbraw/zinc/61/50/69/521615069.db2.gz PXZPAPIWUMWKCZ-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817010 523939792 /nfs/dbraw/zinc/93/97/92/523939792.db2.gz CIXJHIKIDULKEO-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO COc1ccc(C[NH2+]C[C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000069448114 524071639 /nfs/dbraw/zinc/07/16/39/524071639.db2.gz JSZXTFWUEACYKH-SNVBAGLBSA-N 1 0 284.381 2.692 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000310810705 524137004 /nfs/dbraw/zinc/13/70/04/524137004.db2.gz CBBUUTJSGNABFT-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792805 524190573 /nfs/dbraw/zinc/19/05/73/524190573.db2.gz PBIYRDDTTROJBU-QWRGUYRKSA-N 1 0 263.341 2.940 10 5 CFBERO C[C@@H]1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1C ZINC000050814427 524235563 /nfs/dbraw/zinc/23/55/63/524235563.db2.gz ZVBMXQNKWWEVMM-GHMZBOCLSA-N 1 0 263.341 2.797 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000310435799 524456043 /nfs/dbraw/zinc/45/60/43/524456043.db2.gz OHRWOUURTTXFDV-QMMMGPOBSA-N 1 0 257.721 2.788 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N(C)CC[C@H]([NH3+])C(C)C ZINC000158956230 524905676 /nfs/dbraw/zinc/90/56/76/524905676.db2.gz SBLNMTLAKNFKID-LBPRGKRZSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000313067659 525070546 /nfs/dbraw/zinc/07/05/46/525070546.db2.gz JLCYQEJOXCZFGQ-MNOVXSKESA-N 1 0 281.331 2.606 10 5 CFBERO Cc1sc(CCC[NH3+])nc1-c1cccc([N+](=O)[O-])c1 ZINC000054139538 526876378 /nfs/dbraw/zinc/87/63/78/526876378.db2.gz OQFLUSYALJBDFL-UHFFFAOYSA-N 1 0 277.349 2.918 10 5 CFBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444816 527146751 /nfs/dbraw/zinc/14/67/51/527146751.db2.gz KHOGCOGDHPAFLB-YHWZYXNKSA-N 1 0 295.770 2.702 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918771 527337877 /nfs/dbraw/zinc/33/78/77/527337877.db2.gz JABVXWPYIBNBMM-JTQLQIEISA-N 1 0 268.288 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]2)c2ccncc21 ZINC000051883401 527372432 /nfs/dbraw/zinc/37/24/32/527372432.db2.gz IUJLYAVFHOREJL-NSHDSACASA-N 1 0 287.319 2.664 10 5 CFBERO [NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000050892325 527388732 /nfs/dbraw/zinc/38/87/32/527388732.db2.gz CAIFSUCWENASFU-OAHLLOKOSA-N 1 0 284.315 2.772 10 5 CFBERO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050164089 618057183 /nfs/dbraw/zinc/05/71/83/618057183.db2.gz VTTJFBLKCQTLQA-ZJUUUORDSA-N 1 0 267.304 2.534 10 5 CFBERO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163714 618081236 /nfs/dbraw/zinc/08/12/36/618081236.db2.gz FTUPDVGNWHZHEV-NXEZZACHSA-N 1 0 267.304 2.534 10 5 CFBERO Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261591497 618088679 /nfs/dbraw/zinc/08/86/79/618088679.db2.gz LYIBEHSDCMNJST-MWLCHTKSSA-N 1 0 267.304 2.595 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc2ncccc2c1[N+](=O)[O-] ZINC000093874609 619063121 /nfs/dbraw/zinc/06/31/21/619063121.db2.gz KNMZRAZPEYFCCM-UHFFFAOYSA-N 1 0 288.351 2.564 10 5 CFBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070529646 625342470 /nfs/dbraw/zinc/34/24/70/625342470.db2.gz KLPRKDGPFJSVGX-HNNXBMFYSA-N 1 0 284.315 2.861 10 5 CFBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092323 650827727 /nfs/dbraw/zinc/82/77/27/650827727.db2.gz FDWJLDSEBGNGMR-SCZZXKLOSA-N 1 0 269.732 2.788 10 5 CFBERO Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108798 650827754 /nfs/dbraw/zinc/82/77/54/650827754.db2.gz OQELPZYTMBBAFZ-YPMHNXCESA-N 1 0 263.341 2.833 10 5 CFBERO CCCc1cc([N+](C)(C)C)ccc1OC(=O)NC ZINC000005649519 717100010 /nfs/dbraw/zinc/10/00/10/717100010.db2.gz MLEKJKDIACKVFJ-UHFFFAOYSA-O 1 0 251.350 2.554 10 5 CFBERO CC[N+](C)(C)c1ccc(OC(=O)N(C)C)cc1C ZINC000005651695 717100105 /nfs/dbraw/zinc/10/01/05/717100105.db2.gz MYARXIVRHCURBF-UHFFFAOYSA-N 1 0 251.350 2.642 10 5 CFBERO c1sc(C2CCCCC2)nc1C[N+]12CCN(CC1)CC2 ZINC000055051165 717130455 /nfs/dbraw/zinc/13/04/55/717130455.db2.gz APDWYHBMIFXBJQ-UHFFFAOYSA-N 1 0 292.472 2.837 10 5 CFBERO [NH3+]C1(CNc2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000594694398 349475837 /nfs/dbraw/zinc/47/58/37/349475837.db2.gz NGXDJZDLVVKMFE-UHFFFAOYSA-N 1 0 269.732 2.932 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037165417 346327615 /nfs/dbraw/zinc/32/76/15/346327615.db2.gz PVXXGRCGPAOBIE-QEJZJMRPSA-N 1 0 278.352 2.939 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037165413 346327901 /nfs/dbraw/zinc/32/79/01/346327901.db2.gz PVXXGRCGPAOBIE-SNPRPXQTSA-N 1 0 278.352 2.939 10 5 CFBERO O=C(C[NH2+]CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000041612383 346353425 /nfs/dbraw/zinc/35/34/25/346353425.db2.gz UCYQUPNCDDXBMJ-UHFFFAOYSA-N 1 0 284.315 2.610 10 5 CFBERO CC[C@H]([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000038005921 346336798 /nfs/dbraw/zinc/33/67/98/346336798.db2.gz PJKHGWCENDVPOD-ZDUSSCGKSA-N 1 0 260.297 2.559 10 5 CFBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000089105914 347511340 /nfs/dbraw/zinc/51/13/40/347511340.db2.gz DLEYUBPHDUGVQC-PWSUYJOCSA-N 1 0 286.335 2.682 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918669 347562443 /nfs/dbraw/zinc/56/24/43/347562443.db2.gz QGCUYCGAJHSMGH-BPNCWPANSA-N 1 0 264.325 2.813 10 5 CFBERO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142545810 347934814 /nfs/dbraw/zinc/93/48/14/347934814.db2.gz QYONTZYOJSVPEE-JTQLQIEISA-N 1 0 290.241 2.697 10 5 CFBERO [NH3+]CCC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000236167915 348231939 /nfs/dbraw/zinc/23/19/39/348231939.db2.gz WSPPCNVFEXQIJA-UHFFFAOYSA-N 1 0 283.759 2.813 10 5 CFBERO CC[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251529676 348292610 /nfs/dbraw/zinc/29/26/10/348292610.db2.gz AHPFLVPNWYJUMC-GXSJLCMTSA-N 1 0 283.759 2.812 10 5 CFBERO CC[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000300497422 348368673 /nfs/dbraw/zinc/36/86/73/348368673.db2.gz SUVWGAVVHGJZIO-MWLCHTKSSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000404514640 348592146 /nfs/dbraw/zinc/59/21/46/348592146.db2.gz IAZBAHFNCRCSNB-UHFFFAOYSA-N 1 0 269.732 2.789 10 5 CFBERO CCn1cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000091025396 180089592 /nfs/dbraw/zinc/08/95/92/180089592.db2.gz VCILVKWSVWKQNW-UHFFFAOYSA-N 1 0 259.309 2.706 10 5 CFBERO Cc1cc(N2CCCCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000600958505 350637260 /nfs/dbraw/zinc/63/72/60/350637260.db2.gz GYTGCPIKFJNJGB-LBPRGKRZSA-N 1 0 263.341 2.611 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000600962931 350638448 /nfs/dbraw/zinc/63/84/48/350638448.db2.gz PJFNTLPDPPWRJT-CZMCAQCFSA-N 1 0 284.747 2.573 10 5 CFBERO COc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110625420 186306883 /nfs/dbraw/zinc/30/68/83/186306883.db2.gz SHGCKWMZBVCEHQ-UWVGGRQHSA-N 1 0 297.330 2.543 10 5 CFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000600956566 350636318 /nfs/dbraw/zinc/63/63/18/350636318.db2.gz VDWYOCPSMXMXGT-OKILXGFUSA-N 1 0 295.770 2.684 10 5 CFBERO CCOc1cccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600954611 350636494 /nfs/dbraw/zinc/63/64/94/350636494.db2.gz FNACJFNACPPXCP-GHMZBOCLSA-N 1 0 279.340 2.546 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044559492 303396675 /nfs/dbraw/zinc/39/66/75/303396675.db2.gz MFUKWTSZKWJGKM-JTQLQIEISA-N 1 0 269.732 2.566 10 5 CFBERO NC(=[NH2+])c1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000026749024 372327758 /nfs/dbraw/zinc/32/77/58/372327758.db2.gz SHTQZODGNRZEIP-UHFFFAOYSA-N 1 0 294.314 2.882 10 5 in-vivo CFBERO CCOc1cc(N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111830576 375872111 /nfs/dbraw/zinc/87/21/11/375872111.db2.gz XXDZGYHUTGPHHZ-LBPRGKRZSA-N 1 0 281.356 2.779 10 5 CFBERO CCOc1cccc(NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129312661 377411242 /nfs/dbraw/zinc/41/12/42/377411242.db2.gz TVPOFNFNEUCULU-HNNXBMFYSA-N 1 0 293.367 2.795 10 5 CFBERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000134253961 377996781 /nfs/dbraw/zinc/99/67/81/377996781.db2.gz RXTFKEQKFWQTAC-QPUJVOFHSA-N 1 0 270.716 2.515 10 5 CFBERO CCC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000136768629 378208850 /nfs/dbraw/zinc/20/88/50/378208850.db2.gz DHKOYKBSCWCBRQ-FZMZJTMJSA-N 1 0 293.367 2.502 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443964 378264093 /nfs/dbraw/zinc/26/40/93/378264093.db2.gz HCCRZJLKBVHIDG-WPRPVWTQSA-N 1 0 284.747 2.573 10 5 CFBERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151842527 378364081 /nfs/dbraw/zinc/36/40/81/378364081.db2.gz YPMAEBPHCIHALJ-WWGRRREGSA-N 1 0 291.395 2.974 10 5 CFBERO Cc1cc(N[C@H](C)CCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336787003 380632765 /nfs/dbraw/zinc/63/27/65/380632765.db2.gz DAMYPANSYWPQSA-SECBINFHSA-N 1 0 255.293 2.582 10 5 CFBERO CC[C@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558654 380827659 /nfs/dbraw/zinc/82/76/59/380827659.db2.gz STZAZXGJIMPTMJ-FZMZJTMJSA-N 1 0 292.335 2.589 10 5 CFBERO CCOc1cc(N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382450370 382530291 /nfs/dbraw/zinc/53/02/91/382530291.db2.gz DSAYHESOKPSANO-QWRGUYRKSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+][C@H](CC(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000575437938 382771113 /nfs/dbraw/zinc/77/11/13/382771113.db2.gz ZLBHIRCIAIXDJR-SSDOTTSWSA-N 1 0 250.632 2.903 10 5 CFBERO C[C@@H]1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282141345 385224874 /nfs/dbraw/zinc/22/48/74/385224874.db2.gz GYTNCQXNMOCXJZ-VXGBXAGGSA-N 1 0 278.352 2.888 10 5 CFBERO C[C@H]1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282403806 385301595 /nfs/dbraw/zinc/30/15/95/385301595.db2.gz YRCIOARQKSDABX-RYUDHWBXSA-N 1 0 278.352 2.888 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000301423302 393470640 /nfs/dbraw/zinc/47/06/40/393470640.db2.gz AOGWCZGEXRSRPO-CQSZACIVSA-N 1 0 275.352 2.578 10 5 CFBERO C[C@@H](C[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235103146 393783893 /nfs/dbraw/zinc/78/38/93/393783893.db2.gz NBELPMNTHFVDPV-YFKPBYRVSA-N 1 0 264.112 2.661 10 5 CFBERO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261574902 393948195 /nfs/dbraw/zinc/94/81/95/393948195.db2.gz BHVXWFSVZHGNCC-VHSXEESVSA-N 1 0 267.304 2.534 10 5 CFBERO CCOc1cccc(N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000135053979 394209697 /nfs/dbraw/zinc/20/96/97/394209697.db2.gz SDRFXPOALTZTRM-GFCCVEGCSA-N 1 0 293.367 2.559 10 5 CFBERO CC(CO)(CO)[NH2+]Cc1ccc2c(ccc3ccccc32)c1 ZINC000005761714 170138024 /nfs/dbraw/zinc/13/80/24/170138024.db2.gz HQRSCZPFPWBZII-UHFFFAOYSA-N 1 0 295.382 2.826 10 5 CFBERO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035458643 172207409 /nfs/dbraw/zinc/20/74/09/172207409.db2.gz VNORMWCMXWGZOS-NSHDSACASA-N 1 0 252.295 2.867 10 5 CFBERO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000037058855 172924601 /nfs/dbraw/zinc/92/46/01/172924601.db2.gz CHEQLELFFUBLPI-NWDGAFQWSA-N 1 0 263.341 2.737 10 5 CFBERO CCCCCOc1cc([N+](=O)[O-])c(C[NH3+])cc1OC ZINC000037226357 173046581 /nfs/dbraw/zinc/04/65/81/173046581.db2.gz NBDQJZGDOFJQCY-UHFFFAOYSA-N 1 0 268.313 2.631 10 5 CFBERO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000037259711 173069756 /nfs/dbraw/zinc/06/97/56/173069756.db2.gz CUSUSSWDRQLKQR-ZETCQYMHSA-N 1 0 256.252 2.761 10 5 CFBERO CC(C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037396199 173176832 /nfs/dbraw/zinc/17/68/32/173176832.db2.gz ICVTXLQHNFRNCS-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000038043459 174050678 /nfs/dbraw/zinc/05/06/78/174050678.db2.gz KVJOPTHJTDMTRF-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000038051127 174062695 /nfs/dbraw/zinc/06/26/95/174062695.db2.gz BEFNXIWSUNLERU-DGCLKSJQSA-N 1 0 286.335 2.825 10 5 CFBERO COc1ccccc1[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000038128908 174131944 /nfs/dbraw/zinc/13/19/44/174131944.db2.gz AZJSIWXHBSBGMR-AWEZNQCLSA-N 1 0 272.304 2.846 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040622529 174355823 /nfs/dbraw/zinc/35/58/23/174355823.db2.gz UWGBUHCLEULMJT-KBPBESRZSA-N 1 0 291.395 2.976 10 5 CFBERO COc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040623982 174356474 /nfs/dbraw/zinc/35/64/74/174356474.db2.gz LBJWUXVGLDYWKC-GFCCVEGCSA-N 1 0 293.367 2.746 10 5 CFBERO O=[N+]([O-])c1ccc(SC[C@H]2CCC[NH2+]C2)cc1 ZINC000043471734 175053825 /nfs/dbraw/zinc/05/38/25/175053825.db2.gz HBAJUWCNEVQLPP-JTQLQIEISA-N 1 0 252.339 2.687 10 5 CFBERO O=[N+]([O-])c1ccccc1SC[C@H]1CCCC[NH2+]1 ZINC000043495356 175058271 /nfs/dbraw/zinc/05/82/71/175058271.db2.gz XBOYHZQGVSYQOB-SNVBAGLBSA-N 1 0 252.339 2.829 10 5 CFBERO Cc1cc(NC(=O)CCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000043570236 175067668 /nfs/dbraw/zinc/06/76/68/175067668.db2.gz SBWQUCAMJIWWDC-UHFFFAOYSA-N 1 0 279.340 2.620 10 5 CFBERO Cc1cc(NC(=O)[C@H]([NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000043570249 175068018 /nfs/dbraw/zinc/06/80/18/175068018.db2.gz IFCSINRHTVPNEE-CQSZACIVSA-N 1 0 285.303 2.542 10 5 CFBERO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043588696 175073062 /nfs/dbraw/zinc/07/30/62/175073062.db2.gz PFBAJWMMWPWWSA-GFCCVEGCSA-N 1 0 291.351 2.622 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493515 175181531 /nfs/dbraw/zinc/18/15/31/175181531.db2.gz NDMLKVSUCADJGX-VIFPVBQESA-N 1 0 292.364 2.759 10 5 CFBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c2ncccc12 ZINC000044509266 175186974 /nfs/dbraw/zinc/18/69/74/175186974.db2.gz QBFKRJIAUHSDAB-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO CC[NH+]1CCC(CNc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000044526361 175191537 /nfs/dbraw/zinc/19/15/37/175191537.db2.gz LRZQFXGDNHNBGC-UHFFFAOYSA-N 1 0 281.331 2.878 10 5 CFBERO Cc1ccc([C@@H](C)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044539804 175200679 /nfs/dbraw/zinc/20/06/79/175200679.db2.gz LPRRWENMETURJO-TZMCWYRMSA-N 1 0 277.368 2.777 10 5 CFBERO CN1CCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000044561434 175204806 /nfs/dbraw/zinc/20/48/06/175204806.db2.gz LIKFCCFFVOREQC-ZDUSSCGKSA-N 1 0 297.786 2.822 10 5 CFBERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561531 175205065 /nfs/dbraw/zinc/20/50/65/175205065.db2.gz SUVMMSBHPAYUCI-SWLSCSKDSA-N 1 0 277.368 2.730 10 5 CFBERO Cc1ccc(NC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000044563163 175206338 /nfs/dbraw/zinc/20/63/38/175206338.db2.gz UTMDWJUMXZRBHE-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CNc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045140363 175315520 /nfs/dbraw/zinc/31/55/20/175315520.db2.gz DCVWTODNBGDIRV-SNVBAGLBSA-N 1 0 298.774 2.785 10 5 CFBERO O=[N+]([O-])c1c(NCC[C@@H]2CC[NH2+]C2)ccc2ncccc21 ZINC000110798175 261468362 /nfs/dbraw/zinc/46/83/62/261468362.db2.gz RVUTXQYXCAOQCP-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO C[C@@H](C[NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000336812982 274214578 /nfs/dbraw/zinc/21/45/78/274214578.db2.gz BJNFEWUVMRGSES-ZETCQYMHSA-N 1 0 277.246 2.620 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000235170982 274239072 /nfs/dbraw/zinc/23/90/72/274239072.db2.gz RMJWRIARWFNNGS-NXEZZACHSA-N 1 0 283.759 2.812 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052762666 275033297 /nfs/dbraw/zinc/03/32/97/275033297.db2.gz KTWQQGDIOMDXPE-ZDUSSCGKSA-N 1 0 298.770 2.985 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070174932 278313742 /nfs/dbraw/zinc/31/37/42/278313742.db2.gz DYLBSBBAGFPZMP-NXEZZACHSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@@H](NCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526188 278344685 /nfs/dbraw/zinc/34/46/85/278344685.db2.gz YBZSHJRNCTZJDD-CYBMUJFWSA-N 1 0 277.368 2.731 10 5 CFBERO C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235657079 279722933 /nfs/dbraw/zinc/72/29/33/279722933.db2.gz QAEBFQPPBOOHEU-GXFFZTMASA-N 1 0 297.786 2.807 10 5 CFBERO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201288 280359885 /nfs/dbraw/zinc/35/98/85/280359885.db2.gz BZFREICKWBOYLJ-CYBMUJFWSA-N 1 0 293.342 2.702 10 5 CFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+](C)C)C1 ZINC000277843496 280656686 /nfs/dbraw/zinc/65/66/86/280656686.db2.gz SFGCKKFBWZRBBO-JTQLQIEISA-N 1 0 283.759 2.697 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000153805905 290043225 /nfs/dbraw/zinc/04/32/25/290043225.db2.gz PBJCSTOHYJMHMT-LNSITVRQSA-N 1 0 278.352 2.797 10 5 CFBERO CCOc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382472238 324428958 /nfs/dbraw/zinc/42/89/58/324428958.db2.gz QOBPUYCBTKMKPW-WDEREUQCSA-N 1 0 279.340 2.533 10 5 CFBERO CC(C)(C)CCOc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000049253852 518656108 /nfs/dbraw/zinc/65/61/08/518656108.db2.gz HLIVKVSBIHOPGS-UHFFFAOYSA-N 1 0 252.314 2.869 10 5 CFBERO CC(C)(C)[NH2+]CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000050620551 518758856 /nfs/dbraw/zinc/75/88/56/518758856.db2.gz JTELNXVRMSPKPR-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457799 519692788 /nfs/dbraw/zinc/69/27/88/519692788.db2.gz YPMAEBPHCIHALJ-DVOMOZLQSA-N 1 0 291.395 2.974 10 5 CFBERO CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288965 519726849 /nfs/dbraw/zinc/72/68/49/519726849.db2.gz UZYYDKWIWJRLDU-UHFFFAOYSA-N 1 0 294.351 2.651 10 5 CFBERO CC(C)C[NH2+]Cc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000069236568 519748386 /nfs/dbraw/zinc/74/83/86/519748386.db2.gz XYFNTWBCDPPPPV-UHFFFAOYSA-N 1 0 274.324 2.731 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000232720092 519817859 /nfs/dbraw/zinc/81/78/59/519817859.db2.gz OPLVTEBBCIFLMK-SECBINFHSA-N 1 0 257.721 2.643 10 5 CFBERO CCC[NH2+]CCOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051844974 519918664 /nfs/dbraw/zinc/91/86/64/519918664.db2.gz GKUONLCFGVUYFJ-UHFFFAOYSA-N 1 0 272.732 2.764 10 5 CFBERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061270858 520068383 /nfs/dbraw/zinc/06/83/83/520068383.db2.gz ZBLKCNNPUQSFNU-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCOC ZINC000050816675 520171487 /nfs/dbraw/zinc/17/14/87/520171487.db2.gz ZVKCESNEOLVUTF-UHFFFAOYSA-N 1 0 295.383 2.885 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000050815915 520328781 /nfs/dbraw/zinc/32/87/81/520328781.db2.gz ZDMQFTGGDQVSHX-AWEZNQCLSA-N 1 0 293.367 2.637 10 5 CFBERO CCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000050818050 520528315 /nfs/dbraw/zinc/52/83/15/520528315.db2.gz VKSZCXHMNUZIIL-AWEZNQCLSA-N 1 0 293.367 2.637 10 5 CFBERO CCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517297 520707326 /nfs/dbraw/zinc/70/73/26/520707326.db2.gz TUTCCYIVXWFJGP-UHFFFAOYSA-N 1 0 252.314 2.882 10 5 CFBERO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050813198 521502141 /nfs/dbraw/zinc/50/21/41/521502141.db2.gz AARUYWHNKGOSNO-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CC[N@@H+]1CC[C@@H](CNc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700752 521711279 /nfs/dbraw/zinc/71/12/79/521711279.db2.gz CQHNPDMQJZWHGE-LBPRGKRZSA-N 1 0 263.341 2.657 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000050815068 522644381 /nfs/dbraw/zinc/64/43/81/522644381.db2.gz ZCEQBEBDFQORNA-CQSZACIVSA-N 1 0 293.367 2.637 10 5 CFBERO COc1cc(N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155838744 522764466 /nfs/dbraw/zinc/76/44/66/522764466.db2.gz RXTQAUAONZNDNV-CYBMUJFWSA-N 1 0 293.367 2.923 10 5 CFBERO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050813835 523253461 /nfs/dbraw/zinc/25/34/61/523253461.db2.gz ACPWGSSMTUYDDD-LLVKDONJSA-N 1 0 263.341 2.799 10 5 CFBERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443960 523795834 /nfs/dbraw/zinc/79/58/34/523795834.db2.gz FKXYEHUJJIYJNK-CYBMUJFWSA-N 1 0 297.786 2.822 10 5 CFBERO CC[C@H](C)COc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516704 523888945 /nfs/dbraw/zinc/88/89/45/523888945.db2.gz RFOYYUZDWVXUSQ-JTQLQIEISA-N 1 0 252.314 2.739 10 5 CFBERO C[NH+](C)CC(C)(C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443079 524046369 /nfs/dbraw/zinc/04/63/69/524046369.db2.gz RNIBFGTXAGCCQC-UHFFFAOYSA-N 1 0 299.802 2.926 10 5 CFBERO Cc1cc(C)c(OCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000050441888 524311282 /nfs/dbraw/zinc/31/12/82/524311282.db2.gz LWFNAEFPHDGNAF-UHFFFAOYSA-N 1 0 252.314 2.588 10 5 CFBERO Cc1cc(C)c(OC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000050441892 524311318 /nfs/dbraw/zinc/31/13/18/524311318.db2.gz QXYFGRHUPOETIJ-LBPRGKRZSA-N 1 0 264.325 2.733 10 5 CFBERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000336792949 524456120 /nfs/dbraw/zinc/45/61/20/524456120.db2.gz UWOFHVMZNMDXCT-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO COc1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000063214691 524704020 /nfs/dbraw/zinc/70/40/20/524704020.db2.gz CCAIVWUTKUUHBX-VXGBXAGGSA-N 1 0 279.340 2.675 10 5 CFBERO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000133610426 525027527 /nfs/dbraw/zinc/02/75/27/525027527.db2.gz VYCRXLRFUSCEOA-ZDUSSCGKSA-N 1 0 265.357 2.713 10 5 CFBERO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701642 525427058 /nfs/dbraw/zinc/42/70/58/525427058.db2.gz COHUXIORMKOTDW-GFCCVEGCSA-N 1 0 264.325 2.672 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214656 525571844 /nfs/dbraw/zinc/57/18/44/525571844.db2.gz GRJUHZIZKDJDPX-OCCSQVGLSA-N 1 0 263.341 2.975 10 5 CFBERO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000049553772 525597093 /nfs/dbraw/zinc/59/70/93/525597093.db2.gz QEBJGECXAZZZJG-NWDGAFQWSA-N 1 0 265.357 2.586 10 5 CFBERO Cc1c(NC(=O)CC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000050944584 525834753 /nfs/dbraw/zinc/83/47/53/525834753.db2.gz HCJXCVCBAYZFJT-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO NC(=[NH2+])c1ccnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000050470332 526824314 /nfs/dbraw/zinc/82/43/14/526824314.db2.gz ITBMGJSOZDNOMG-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO [NH3+]C1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000051693856 527141712 /nfs/dbraw/zinc/14/17/12/527141712.db2.gz JYTCCGKYYZCGJR-UHFFFAOYSA-N 1 0 286.335 2.825 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC[C@H]1CCC[NH2+]1 ZINC000051865915 527329819 /nfs/dbraw/zinc/32/98/19/527329819.db2.gz LRMOUIPBFHCOQN-SECBINFHSA-N 1 0 290.241 2.744 10 5 CFBERO O=[N+]([O-])c1cc(F)cc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918398 527336344 /nfs/dbraw/zinc/33/63/44/527336344.db2.gz YFGAZOZJWSFQGU-SNVBAGLBSA-N 1 0 268.288 2.502 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)c2cccnc21 ZINC000051883124 527372401 /nfs/dbraw/zinc/37/24/01/527372401.db2.gz WAXXAKMLKCWQII-NSHDSACASA-N 1 0 287.319 2.521 10 5 CFBERO [NH3+][C@H](CC[C@@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000069395966 527386070 /nfs/dbraw/zinc/38/60/70/527386070.db2.gz ZDTATYBMNZZEJP-HIFRSBDPSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000053255063 618279859 /nfs/dbraw/zinc/27/98/59/618279859.db2.gz XUJMKJDLHVSTQF-MRVPVSSYSA-N 1 0 289.257 2.778 10 5 CFBERO [NH3+]C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236220225 618611666 /nfs/dbraw/zinc/61/16/66/618611666.db2.gz OKMQEYGOASBAPK-ZETCQYMHSA-N 1 0 290.150 2.687 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])c2cnccc21 ZINC000093874585 619063390 /nfs/dbraw/zinc/06/33/90/619063390.db2.gz UZASRWOBZQMSLZ-UHFFFAOYSA-N 1 0 288.351 2.564 10 5 CFBERO COc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227859957 623121783 /nfs/dbraw/zinc/12/17/83/623121783.db2.gz IXVSMJUNXXXWGV-NXEZZACHSA-N 1 0 297.330 2.543 10 5 CFBERO CCOc1cc(N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000229596415 623214277 /nfs/dbraw/zinc/21/42/77/623214277.db2.gz KYXBVASWCSVCBE-PWSUYJOCSA-N 1 0 279.340 2.546 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000229597827 623214494 /nfs/dbraw/zinc/21/44/94/623214494.db2.gz BZMHWVNINWKMOM-PWSUYJOCSA-N 1 0 286.335 2.695 10 5 CFBERO O=[N+]([O-])c1c(F)cccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201477 623332623 /nfs/dbraw/zinc/33/26/23/623332623.db2.gz DEHZBLLNILXCEV-CYBMUJFWSA-N 1 0 293.342 2.702 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000175352114 624949288 /nfs/dbraw/zinc/94/92/88/624949288.db2.gz FTOWHMUJWMVHPL-CQSZACIVSA-N 1 0 295.358 2.650 10 5 CFBERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000078505442 650510622 /nfs/dbraw/zinc/51/06/22/650510622.db2.gz CITXRMKYCNNCQV-NOZJJQNGSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089386941 650840256 /nfs/dbraw/zinc/84/02/56/650840256.db2.gz QWKSUCFEWUYVFF-AAEUAGOBSA-N 1 0 291.351 2.607 10 5 CFBERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000251616710 650991454 /nfs/dbraw/zinc/99/14/54/650991454.db2.gz CITXRMKYCNNCQV-ZANVPECISA-N 1 0 283.759 2.812 10 5 CFBERO C[N+](C)(C)c1cccc(OC(=O)N2CCCCC2)c1 ZINC000005764680 717101968 /nfs/dbraw/zinc/10/19/68/717101968.db2.gz SFCKTALGSAMTBK-UHFFFAOYSA-N 1 0 263.361 2.868 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918668 347562460 /nfs/dbraw/zinc/56/24/60/347562460.db2.gz QGCUYCGAJHSMGH-LEWSCRJBSA-N 1 0 264.325 2.813 10 5 CFBERO CC[NH+](CC)CCOc1c(C)cc([N+](=O)[O-])cc1C ZINC000143455093 347937752 /nfs/dbraw/zinc/93/77/52/347937752.db2.gz UIUKNNNYJAGNKR-UHFFFAOYSA-N 1 0 266.341 2.932 10 5 CFBERO C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818690 179347319 /nfs/dbraw/zinc/34/73/19/179347319.db2.gz AXPVAOMPBLDCIK-TZMCWYRMSA-N 1 0 277.368 2.730 10 5 CFBERO C[NH+](C)Cc1ccnc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000196677498 348148754 /nfs/dbraw/zinc/14/87/54/348148754.db2.gz GFLIFXWPXKSXFF-UHFFFAOYSA-N 1 0 257.293 2.718 10 5 CFBERO Cc1cc(NC[C@@H]2CCCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000312069692 348416440 /nfs/dbraw/zinc/41/64/40/348416440.db2.gz MVCMBLHDOYVBFI-JTQLQIEISA-N 1 0 267.304 2.596 10 5 CFBERO COc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110625416 186306970 /nfs/dbraw/zinc/30/69/70/186306970.db2.gz SHGCKWMZBVCEHQ-VHSXEESVSA-N 1 0 297.330 2.543 10 5 CFBERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000123986611 187117495 /nfs/dbraw/zinc/11/74/95/187117495.db2.gz CGZSKDIATWWYQC-OAHLLOKOSA-N 1 0 288.351 2.841 10 5 CFBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000089106097 283518032 /nfs/dbraw/zinc/51/80/32/283518032.db2.gz VSIFSCHQGNJLET-DGCLKSJQSA-N 1 0 286.335 2.682 10 5 CFBERO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000094420337 375359279 /nfs/dbraw/zinc/35/92/79/375359279.db2.gz YVOLREVXIHEALP-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cccc(OCC)c1[N+](=O)[O-] ZINC000135058126 378077679 /nfs/dbraw/zinc/07/76/79/378077679.db2.gz KAYSBHPSMNNXGX-NSHDSACASA-N 1 0 281.356 2.923 10 5 CFBERO Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135610542 378150533 /nfs/dbraw/zinc/15/05/33/378150533.db2.gz BUQUAGDEBMTHTR-ZFWWWQNUSA-N 1 0 278.352 2.686 10 5 CFBERO Cc1cc(N[C@@H](C)CCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336787004 380632939 /nfs/dbraw/zinc/63/29/39/380632939.db2.gz DAMYPANSYWPQSA-VIFPVBQESA-N 1 0 255.293 2.582 10 5 CFBERO Cc1cccc(N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000336788408 380635036 /nfs/dbraw/zinc/63/50/36/380635036.db2.gz GYDIXSOTMZEKTH-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO COc1cccc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000185552224 381663427 /nfs/dbraw/zinc/66/34/27/381663427.db2.gz WRAZUYASXZTYBO-YPMHNXCESA-N 1 0 293.367 2.744 10 5 CFBERO CC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000389257695 382612697 /nfs/dbraw/zinc/61/26/97/382612697.db2.gz COGCLBXVSRGFEC-SNVBAGLBSA-N 1 0 267.304 2.548 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCC1([NH3+])CCCCC1 ZINC000261621000 383531186 /nfs/dbraw/zinc/53/11/86/383531186.db2.gz UTLXTAABHIQXPD-UHFFFAOYSA-N 1 0 263.341 2.977 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020549295 171246453 /nfs/dbraw/zinc/24/64/53/171246453.db2.gz TUHSCQHNESAAJB-ZDUSSCGKSA-N 1 0 281.743 2.754 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000021518119 171314229 /nfs/dbraw/zinc/31/42/29/171314229.db2.gz MCFVZMGEXGLVDW-LBPRGKRZSA-N 1 0 281.743 2.754 10 5 CFBERO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414745 172188407 /nfs/dbraw/zinc/18/84/07/172188407.db2.gz YNHWDCMXZRLAGI-UHFFFAOYSA-N 1 0 252.314 2.882 10 5 CFBERO [NH3+][C@H](Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000035576260 172272842 /nfs/dbraw/zinc/27/28/42/172272842.db2.gz HPVMOHKTESMWFU-GFCCVEGCSA-N 1 0 282.303 2.714 10 5 CFBERO C=COCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177155 173010642 /nfs/dbraw/zinc/01/06/42/173010642.db2.gz FUOOCGXCUPJBBL-NSHDSACASA-N 1 0 250.298 2.796 10 5 CFBERO CC[NH2+][C@H](CC)CCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000037948740 173889242 /nfs/dbraw/zinc/88/92/42/173889242.db2.gz VBRFTGAMJQHVKC-GFCCVEGCSA-N 1 0 266.341 2.924 10 5 CFBERO C[NH2+][C@@H](CCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000037948880 173889453 /nfs/dbraw/zinc/88/94/53/173889453.db2.gz RGXULSNZHDQRMI-LBPRGKRZSA-N 1 0 254.305 2.911 10 5 CFBERO [NH3+]Cc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081262 174090526 /nfs/dbraw/zinc/09/05/26/174090526.db2.gz GGKOSQLSLLGXQI-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673508 174372365 /nfs/dbraw/zinc/37/23/65/174372365.db2.gz DGPDNCBLMIOPFI-GFCCVEGCSA-N 1 0 286.335 2.649 10 5 CFBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2cccs2)cc1 ZINC000040676055 174373890 /nfs/dbraw/zinc/37/38/90/174373890.db2.gz HOZHLIKNRBFHGJ-CYBMUJFWSA-N 1 0 292.360 2.522 10 5 CFBERO CCN(c1cc(F)cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748841 174394157 /nfs/dbraw/zinc/39/41/57/174394157.db2.gz VZHZBMBYOICEHW-ONXXMXGDSA-N 1 0 293.342 2.843 10 5 CFBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c2ccncc21 ZINC000044509197 175187037 /nfs/dbraw/zinc/18/70/37/175187037.db2.gz GMPJCPPALVAXSM-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO O=[N+]([O-])c1ccccc1-c1nc(C[NH2+]C2CC2)cs1 ZINC000044732104 175240785 /nfs/dbraw/zinc/24/07/85/175240785.db2.gz GVDAUPACJKAGKH-UHFFFAOYSA-N 1 0 275.333 2.970 10 5 CFBERO CC[C@@](C)([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000044747987 175243679 /nfs/dbraw/zinc/24/36/79/175243679.db2.gz KCLPFPVCXYGOEM-CYBMUJFWSA-N 1 0 276.296 2.537 10 5 CFBERO CCC[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000044747977 175243689 /nfs/dbraw/zinc/24/36/89/175243689.db2.gz XYNAESRZOHHCCM-LLVKDONJSA-N 1 0 276.296 2.753 10 5 CFBERO C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000226589406 270256726 /nfs/dbraw/zinc/25/67/26/270256726.db2.gz YLGRIGNTTOJTNJ-LOWVWBTDSA-N 1 0 264.325 2.813 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095077345 274961823 /nfs/dbraw/zinc/96/18/23/274961823.db2.gz ADGKWQYGVAXZIB-UWVGGRQHSA-N 1 0 292.364 2.886 10 5 CFBERO CC(C)C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302850461 275577327 /nfs/dbraw/zinc/57/73/27/275577327.db2.gz IMZAFGUDFJVHRY-UHFFFAOYSA-N 1 0 281.331 2.512 10 5 CFBERO Cc1cc(N[C@H](C[NH3+])C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000261873615 280631826 /nfs/dbraw/zinc/63/18/26/280631826.db2.gz ZKFGQRFDPOQNBJ-CYBMUJFWSA-N 1 0 281.331 2.972 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000094663268 281015252 /nfs/dbraw/zinc/01/52/52/281015252.db2.gz ZOSVOQVXPKAKHE-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700872 521625558 /nfs/dbraw/zinc/62/55/58/521625558.db2.gz YKYSBHXWLJGQKM-CYBMUJFWSA-N 1 0 263.341 2.799 10 5 CFBERO CC[C@@H](C)COc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516703 522002356 /nfs/dbraw/zinc/00/23/56/522002356.db2.gz RFOYYUZDWVXUSQ-SNVBAGLBSA-N 1 0 252.314 2.739 10 5 CFBERO CC(C)(C)CCOc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516170 518655358 /nfs/dbraw/zinc/65/53/58/518655358.db2.gz FIVZBGOTDHMWJZ-UHFFFAOYSA-N 1 0 252.314 2.869 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049231146 519794056 /nfs/dbraw/zinc/79/40/56/519794056.db2.gz WYCIZHJESVVLLU-SECBINFHSA-N 1 0 286.763 2.641 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049197532 519814825 /nfs/dbraw/zinc/81/48/25/519814825.db2.gz GMDCAKMYGJFAQU-DOMZBBRYSA-N 1 0 279.384 2.832 10 5 CFBERO CC[NH2+]Cc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000049258969 519999801 /nfs/dbraw/zinc/99/98/01/519999801.db2.gz HOXLAEVGFKJJLP-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2c(C)cccc2[N+](=O)[O-])o1 ZINC000050619021 520080203 /nfs/dbraw/zinc/08/02/03/520080203.db2.gz BFOCBEITONIHMQ-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)COC ZINC000050815228 520170685 /nfs/dbraw/zinc/17/06/85/520170685.db2.gz SHWZVMKAQQKKDO-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CC)[C@@H](C)COC ZINC000050814982 520330428 /nfs/dbraw/zinc/33/04/28/520330428.db2.gz YCGBPGPIWUWCOL-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[NH+](CC)CC ZINC000050792248 520331011 /nfs/dbraw/zinc/33/10/11/520331011.db2.gz NYPURCCEPMHUKA-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149459605 521191795 /nfs/dbraw/zinc/19/17/95/521191795.db2.gz XZUKFRUFKKCHII-SECBINFHSA-N 1 0 272.736 2.573 10 5 CFBERO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1NC)C(C)C ZINC000050812834 521293313 /nfs/dbraw/zinc/29/33/13/521293313.db2.gz IWGALMTVLLYKPG-UHFFFAOYSA-N 1 0 251.330 2.867 10 5 CFBERO CNc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813308 522607906 /nfs/dbraw/zinc/60/79/06/522607906.db2.gz XYAUPEZGIMTNRR-LLVKDONJSA-N 1 0 281.381 2.574 10 5 CFBERO COc1cc(N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1F ZINC000312467450 522757752 /nfs/dbraw/zinc/75/77/52/522757752.db2.gz GEPGARUSMBXPQZ-VIFPVBQESA-N 1 0 285.319 2.672 10 5 CFBERO Cc1cc(C)c(OC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000050441895 524311942 /nfs/dbraw/zinc/31/19/42/524311942.db2.gz YOELQIUJVGWESH-GFCCVEGCSA-N 1 0 264.325 2.590 10 5 CFBERO C[C@H](C[NH+]1CCCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120295 524319526 /nfs/dbraw/zinc/31/95/26/524319526.db2.gz OOFKQYZOJRPNQM-SNVBAGLBSA-N 1 0 267.304 2.630 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000313555350 524455983 /nfs/dbraw/zinc/45/59/83/524455983.db2.gz SNRKTQDYONKYRT-JTQLQIEISA-N 1 0 274.324 2.682 10 5 CFBERO Cc1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000061701230 524960348 /nfs/dbraw/zinc/96/03/48/524960348.db2.gz MNTXILHFLNTCOW-ZFWWWQNUSA-N 1 0 289.379 2.872 10 5 CFBERO C[C@@H]([NH3+])CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000063171525 524997506 /nfs/dbraw/zinc/99/75/06/524997506.db2.gz FHMCWAPIXLQAFG-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000261591475 525004631 /nfs/dbraw/zinc/00/46/31/525004631.db2.gz VLJFOVOVZGKASG-RNFRBKRXSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000050940554 525039669 /nfs/dbraw/zinc/03/96/69/525039669.db2.gz DJEOYINNXDCVBG-GFCCVEGCSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc(NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000054241781 525274043 /nfs/dbraw/zinc/27/40/43/525274043.db2.gz UWDKAUHETVTMNT-UHFFFAOYSA-N 1 0 263.341 2.657 10 5 CFBERO Cc1ccc(N[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000061700949 525310774 /nfs/dbraw/zinc/31/07/74/525310774.db2.gz OHQWDYGQZTUFDU-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO CSC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000069438155 525623740 /nfs/dbraw/zinc/62/37/40/525623740.db2.gz VWLCJAPEZJNMRN-QMMMGPOBSA-N 1 0 290.335 2.962 10 5 CFBERO Cc1c(N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000062724043 525876149 /nfs/dbraw/zinc/87/61/49/525876149.db2.gz BZPRRYOAGDVLIT-SNVBAGLBSA-N 1 0 251.330 2.655 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1ncc2c(n1)CCC[C@@H]2[NH3+] ZINC000050441309 526067289 /nfs/dbraw/zinc/06/72/89/526067289.db2.gz DTSOHWIKDLYYFL-ZDUSSCGKSA-N 1 0 284.319 2.696 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCCC[C@H]1CCC[NH2+]1 ZINC000052765179 526085558 /nfs/dbraw/zinc/08/55/58/526085558.db2.gz WHMARQIJWLBMRM-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO Cc1nc(N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155860822 527001280 /nfs/dbraw/zinc/00/12/80/527001280.db2.gz WIWUSYURZWYQTG-GFCCVEGCSA-N 1 0 278.356 2.618 10 5 CFBERO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157890669 527192068 /nfs/dbraw/zinc/19/20/68/527192068.db2.gz TXTLNZHDFJCXDG-LBPRGKRZSA-N 1 0 297.786 2.952 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]C2CCC2)c(Br)c1 ZINC000052210094 527350974 /nfs/dbraw/zinc/35/09/74/527350974.db2.gz JURPDNQGIYGCPJ-UHFFFAOYSA-N 1 0 285.141 2.999 10 5 CFBERO [NH3+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964298 618054792 /nfs/dbraw/zinc/05/47/92/618054792.db2.gz LHRNLXWTRQSNTA-GFCCVEGCSA-N 1 0 283.759 2.561 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NCC[C@@H]1CC[NH2+]C1 ZINC000236048367 618604513 /nfs/dbraw/zinc/60/45/13/618604513.db2.gz QCSHOAZPRHQPER-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO [NH3+][C@@H]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000311036834 618674436 /nfs/dbraw/zinc/67/44/36/618674436.db2.gz OIKAERXJVYZWKW-WCBMZHEXSA-N 1 0 269.732 2.788 10 5 CFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C[NH3+] ZINC000311512098 618713941 /nfs/dbraw/zinc/71/39/41/618713941.db2.gz NWDTVANPQGAZGL-NOZJJQNGSA-N 1 0 283.759 2.669 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000110798050 618960173 /nfs/dbraw/zinc/96/01/73/618960173.db2.gz ICPAYBZVWJFEMK-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1Cl ZINC000093874651 619063259 /nfs/dbraw/zinc/06/32/59/619063259.db2.gz VNUPSYCKIGWDKJ-UHFFFAOYSA-N 1 0 271.748 2.669 10 5 CFBERO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261796413 619272526 /nfs/dbraw/zinc/27/25/26/619272526.db2.gz QYMACLICUMNAMQ-GHMZBOCLSA-N 1 0 281.331 2.842 10 5 CFBERO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261796417 619272620 /nfs/dbraw/zinc/27/26/20/619272620.db2.gz QYMACLICUMNAMQ-QWRGUYRKSA-N 1 0 281.331 2.842 10 5 CFBERO Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261796418 619272702 /nfs/dbraw/zinc/27/27/02/619272702.db2.gz QYMACLICUMNAMQ-WDEREUQCSA-N 1 0 281.331 2.842 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320488732 619893934 /nfs/dbraw/zinc/89/39/34/619893934.db2.gz HYBANCWYZKOLSM-JGVFFNPUSA-N 1 0 257.721 2.786 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000089108999 620020239 /nfs/dbraw/zinc/02/02/39/620020239.db2.gz SRCKQSHGUAYKQO-GXSJLCMTSA-N 1 0 267.304 2.663 10 5 CFBERO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040601906 620417256 /nfs/dbraw/zinc/41/72/56/620417256.db2.gz TXMWEMKOKNHEHP-JTQLQIEISA-N 1 0 283.759 2.684 10 5 CFBERO COC1CC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000230690023 623294328 /nfs/dbraw/zinc/29/43/28/623294328.db2.gz WBRAVYXCTOCYBD-UHFFFAOYSA-N 1 0 270.716 2.515 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070175026 625279225 /nfs/dbraw/zinc/27/92/25/625279225.db2.gz SKXDCLAZULMWRU-ZJUUUORDSA-N 1 0 283.759 2.812 10 5 CFBERO CC[C@@H]([NH3+])CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083731007 625996190 /nfs/dbraw/zinc/99/61/90/625996190.db2.gz ASNDTZVLQIRDOJ-MRVPVSSYSA-N 1 0 288.145 2.507 10 5 CFBERO CC[NH2+]CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125189360 642534789 /nfs/dbraw/zinc/53/47/89/642534789.db2.gz KQWYOKHJOWEXBW-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125208692 642556045 /nfs/dbraw/zinc/55/60/45/642556045.db2.gz AGHBADNHNXLLEF-VHSXEESVSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000251594126 650990995 /nfs/dbraw/zinc/99/09/95/650990995.db2.gz CWVJKRDMYPHDBA-QMTHXVAHSA-N 1 0 297.786 2.630 10 5 CFBERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000130021452 645442483 /nfs/dbraw/zinc/44/24/83/645442483.db2.gz QUCJASNIIZJTDX-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000132469971 645919517 /nfs/dbraw/zinc/91/95/17/645919517.db2.gz DUIFDWRLSLVUCS-ZJUUUORDSA-N 1 0 281.743 2.579 10 5 CFBERO CCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C ZINC000001998850 717091928 /nfs/dbraw/zinc/09/19/28/717091928.db2.gz CNFNWVICIHSIOL-UHFFFAOYSA-N 1 0 251.350 2.506 10 5 CFBERO CC[N+](C)(C)Cc1ccccc1I ZINC000003651586 717096943 /nfs/dbraw/zinc/09/69/43/717096943.db2.gz UDLPLLDAFDSDIW-UHFFFAOYSA-N 1 0 290.168 2.888 10 5 CFBERO CNC(=O)Oc1cc(C(C)C)cc([N+](C)(C)C)c1 ZINC000005447534 717099346 /nfs/dbraw/zinc/09/93/46/717099346.db2.gz GVMAZCMPRDGBMX-UHFFFAOYSA-O 1 0 251.350 2.725 10 5 CFBERO Cc1cc(NCC2([NH3+])CCCC2)c(F)cc1[N+](=O)[O-] ZINC000594694156 349475366 /nfs/dbraw/zinc/47/53/66/349475366.db2.gz ACQIRVXNLUENFG-UHFFFAOYSA-N 1 0 267.304 2.726 10 5 CFBERO C[NH2+]C[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000596032171 349778512 /nfs/dbraw/zinc/77/85/12/349778512.db2.gz HWQSSFVUGQPVQF-ZCFIWIBFSA-N 1 0 278.139 2.921 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC[NH2+]CC1 ZINC000036962412 346325008 /nfs/dbraw/zinc/32/50/08/346325008.db2.gz HUUGCKADWYPWRY-UHFFFAOYSA-N 1 0 289.257 2.778 10 5 CFBERO CCOc1cc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000111051145 347752273 /nfs/dbraw/zinc/75/22/73/347752273.db2.gz KVEGSFDVMQSEGQ-LBPRGKRZSA-N 1 0 279.340 2.548 10 5 CFBERO CO[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431605 347943894 /nfs/dbraw/zinc/94/38/94/347943894.db2.gz XSSJNERTFYGTSL-BXUZGUMPSA-N 1 0 264.325 2.594 10 5 CFBERO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818692 179347390 /nfs/dbraw/zinc/34/73/90/179347390.db2.gz AXPVAOMPBLDCIK-OCCSQVGLSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000219233583 348168217 /nfs/dbraw/zinc/16/82/17/348168217.db2.gz YQBTVVABSAMXAC-RWMBFGLXSA-N 1 0 278.352 2.797 10 5 CFBERO CCOc1cccc(N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320460924 348436664 /nfs/dbraw/zinc/43/66/64/348436664.db2.gz DQWFMGLLILTGBR-VHSXEESVSA-N 1 0 267.329 2.531 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000320517753 348436689 /nfs/dbraw/zinc/43/66/89/348436689.db2.gz MDSVUSVMIOHXGZ-SFYZADRCSA-N 1 0 257.721 2.786 10 5 CFBERO CCOCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000087888621 179512652 /nfs/dbraw/zinc/51/26/52/179512652.db2.gz GBNJESSAOUABOU-UHFFFAOYSA-N 1 0 282.340 2.856 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000087974579 179530270 /nfs/dbraw/zinc/53/02/70/179530270.db2.gz CNJYMCGYGXKNCR-IAQYHMDHSA-N 1 0 278.352 2.911 10 5 CFBERO CC[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000584624317 348693479 /nfs/dbraw/zinc/69/34/79/348693479.db2.gz VZRUBLFVTDSPBT-OAHLLOKOSA-N 1 0 275.352 2.517 10 5 CFBERO C[NH+](C)CCc1c2ccccc2c2ccccc2[n+]1[O-] ZINC000584640060 348699921 /nfs/dbraw/zinc/69/99/21/348699921.db2.gz YGZQILFTEZHQAN-UHFFFAOYSA-N 1 0 266.344 2.731 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000090538953 180000285 /nfs/dbraw/zinc/00/02/85/180000285.db2.gz BHKUTOYTVCBFDP-ZDUSSCGKSA-N 1 0 288.351 2.759 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000600959157 350637301 /nfs/dbraw/zinc/63/73/01/350637301.db2.gz RFYHNFKFERYNPJ-GFCCVEGCSA-N 1 0 263.341 2.611 10 5 CFBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600962251 350638145 /nfs/dbraw/zinc/63/81/45/350638145.db2.gz CHPGWUZHIKQASL-IONNQARKSA-N 1 0 289.257 2.540 10 5 CFBERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111830299 186461243 /nfs/dbraw/zinc/46/12/43/186461243.db2.gz CBUNNOKOYCMPFX-GFCCVEGCSA-N 1 0 251.330 2.689 10 5 CFBERO [NH3+]C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000036754882 372588688 /nfs/dbraw/zinc/58/86/88/372588688.db2.gz XKVHGKUVGOCZCY-UHFFFAOYSA-N 1 0 289.257 2.541 10 5 CFBERO CCC[NH2+]CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000054267491 373509861 /nfs/dbraw/zinc/50/98/61/373509861.db2.gz NDQSPMNSBZPOAD-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO O=[N+]([O-])c1ccc2oc(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092043 375411672 /nfs/dbraw/zinc/41/16/72/375411672.db2.gz IDRHMLSMIMIESC-SNVBAGLBSA-N 1 0 291.307 2.647 10 5 CFBERO CCOc1cc(NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000129301354 377409011 /nfs/dbraw/zinc/40/90/11/377409011.db2.gz HPRPGSASRVUPND-OAHLLOKOSA-N 1 0 293.367 2.795 10 5 CFBERO [NH3+][C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000133171413 377910719 /nfs/dbraw/zinc/91/07/19/377910719.db2.gz XFNZBDNPVOYBCH-SNVBAGLBSA-N 1 0 289.257 2.763 10 5 CFBERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000134253980 377996730 /nfs/dbraw/zinc/99/67/30/377996730.db2.gz RXTFKEQKFWQTAC-PELKAZGASA-N 1 0 270.716 2.515 10 5 CFBERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135667218 378154836 /nfs/dbraw/zinc/15/48/36/378154836.db2.gz QXYONIYJJBCSEY-CQDKDKBSSA-N 1 0 278.352 2.939 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443806 378264198 /nfs/dbraw/zinc/26/41/98/378264198.db2.gz HCCRZJLKBVHIDG-WCBMZHEXSA-N 1 0 284.747 2.573 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000175332169 380045251 /nfs/dbraw/zinc/04/52/51/380045251.db2.gz WWWZAHJOAHJYPS-GFCCVEGCSA-N 1 0 283.397 2.572 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Oc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000043401650 184557259 /nfs/dbraw/zinc/55/72/59/184557259.db2.gz DLHQIBGYQABURA-UHFFFAOYSA-N 1 0 290.254 2.514 10 5 CFBERO [NH3+]CC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000383416108 382543329 /nfs/dbraw/zinc/54/33/29/382543329.db2.gz YMNGZIDJQJZAPP-QMMMGPOBSA-N 1 0 279.674 2.643 10 5 CFBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382506689 382531988 /nfs/dbraw/zinc/53/19/88/382531988.db2.gz MZWZMGWCQDSCPZ-PSASIEDQSA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382494137 382532063 /nfs/dbraw/zinc/53/20/63/382532063.db2.gz IUOXWBMFWUUNGB-DTWKUNHWSA-N 1 0 269.732 2.788 10 5 CFBERO CCOc1cc(N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000336831949 382726450 /nfs/dbraw/zinc/72/64/50/382726450.db2.gz KTKHQAMUPKSTTL-NSHDSACASA-N 1 0 281.356 2.923 10 5 CFBERO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000336838956 382731039 /nfs/dbraw/zinc/73/10/39/382731039.db2.gz OAPBLZVDGLTYGP-LLVKDONJSA-N 1 0 281.331 2.608 10 5 CFBERO Cc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235539813 382884045 /nfs/dbraw/zinc/88/40/45/382884045.db2.gz SGMSFXKBSFIBQV-NWDGAFQWSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000236159973 382893024 /nfs/dbraw/zinc/89/30/24/382893024.db2.gz LVCNVKSWAPMLSH-GFCCVEGCSA-N 1 0 267.304 2.663 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000261755289 383553876 /nfs/dbraw/zinc/55/38/76/383553876.db2.gz UFWLPPDUNZQCCK-MRXNPFEDSA-N 1 0 283.331 2.894 10 5 CFBERO C[C@@H]1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000282403811 195599079 /nfs/dbraw/zinc/59/90/79/195599079.db2.gz YRCIOARQKSDABX-VXGBXAGGSA-N 1 0 278.352 2.888 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958235 393483562 /nfs/dbraw/zinc/48/35/62/393483562.db2.gz OEXJHZIRPMVRMO-ZFWWWQNUSA-N 1 0 289.379 2.966 10 5 CFBERO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261591498 393948527 /nfs/dbraw/zinc/94/85/27/393948527.db2.gz LYIBEHSDCMNJST-ONGXEEELSA-N 1 0 267.304 2.595 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182761210 292296120 /nfs/dbraw/zinc/29/61/20/292296120.db2.gz DCEMTBWHKLKCAJ-DZGCQCFKSA-N 1 0 289.379 2.744 10 5 CFBERO CC(CO)(CO)[NH2+]Cc1cc2ccccc2c2ccccc12 ZINC000005761709 170138097 /nfs/dbraw/zinc/13/80/97/170138097.db2.gz PBIHNSRRIKSORF-UHFFFAOYSA-N 1 0 295.382 2.826 10 5 CFBERO CC(C)[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020145975 171031939 /nfs/dbraw/zinc/03/19/39/171031939.db2.gz WAIKPJOBWOHQMF-WFASDCNBSA-N 1 0 279.384 2.832 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(OCCC[NH2+]C(C)C)c1 ZINC000020525420 171238199 /nfs/dbraw/zinc/23/81/99/171238199.db2.gz CFUHLONSLKYGOU-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO CC[NH2+]CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524995 171238223 /nfs/dbraw/zinc/23/82/23/171238223.db2.gz XLMHDNLBZMKTSF-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCC(C)C ZINC000035414612 172188428 /nfs/dbraw/zinc/18/84/28/172188428.db2.gz MDWFUKOSYBPRJI-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO CC[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035545231 172253292 /nfs/dbraw/zinc/25/32/92/172253292.db2.gz SRRBYKGQZIUFQS-NSHDSACASA-N 1 0 252.295 2.948 10 5 CFBERO CCC[C@H]([NH3+])CCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036988307 172852486 /nfs/dbraw/zinc/85/24/86/172852486.db2.gz CQINAAMAURYQOC-NSHDSACASA-N 1 0 252.314 2.663 10 5 CFBERO CC[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000037336243 173136828 /nfs/dbraw/zinc/13/68/28/173136828.db2.gz SIFIAQHMDJPQFM-UHFFFAOYSA-N 1 0 264.325 2.755 10 5 CFBERO CC(C)[NH2+]CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037396227 173177144 /nfs/dbraw/zinc/17/71/44/173177144.db2.gz LPQCGBRTAMOPBA-UHFFFAOYSA-N 1 0 285.731 2.575 10 5 CFBERO CCC[C@H]([NH3+])CCc1cc([N+](=O)[O-])ccc1OC ZINC000037408589 173184939 /nfs/dbraw/zinc/18/49/39/173184939.db2.gz BIPABHZRFCLPCW-NSHDSACASA-N 1 0 252.314 2.663 10 5 CFBERO CC[NH2+][C@H](C)[C@H](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037949358 173889310 /nfs/dbraw/zinc/88/93/10/173889310.db2.gz GFNMURGIOHYMOF-NXEZZACHSA-N 1 0 254.305 2.911 10 5 CFBERO CC[NH2+][C@H](C)[C@@H](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000037949468 173889577 /nfs/dbraw/zinc/88/95/77/173889577.db2.gz JPUAAPIHGSXKBR-WDEREUQCSA-N 1 0 266.341 2.780 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000038081174 174090449 /nfs/dbraw/zinc/09/04/49/174090449.db2.gz BPYFROXUCFSFKQ-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO [NH3+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000038082155 174090994 /nfs/dbraw/zinc/09/09/94/174090994.db2.gz DMACQUJVMATEGY-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO CC(C)[N@@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2)C1 ZINC000040623814 174355871 /nfs/dbraw/zinc/35/58/71/174355871.db2.gz MFTRIUXRFUAEPX-LBPRGKRZSA-N 1 0 263.341 2.737 10 5 CFBERO CCC[NH2+]CCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000041078907 174472933 /nfs/dbraw/zinc/47/29/33/174472933.db2.gz DYTCVHHDLRJIDT-UHFFFAOYSA-N 1 0 252.314 2.672 10 5 CFBERO Cc1ccc(-c2csc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000041201891 174509895 /nfs/dbraw/zinc/50/98/95/174509895.db2.gz SRNBVSADKPIIEW-UHFFFAOYSA-N 1 0 263.322 2.528 10 5 CFBERO [NH3+][C@H]1CCCc2c1ccn2-c1ccc([N+](=O)[O-])cc1F ZINC000041723067 174618411 /nfs/dbraw/zinc/61/84/11/174618411.db2.gz QIKQAXDBDMMOBY-LBPRGKRZSA-N 1 0 275.283 2.861 10 5 CFBERO O=[N+]([O-])c1ccc(SC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043495359 175058053 /nfs/dbraw/zinc/05/80/53/175058053.db2.gz CCTIYZTZQOVXLL-JTQLQIEISA-N 1 0 252.339 2.829 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000043499230 175058229 /nfs/dbraw/zinc/05/82/29/175058229.db2.gz SIYQNOHNWDVVIM-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502831 175186355 /nfs/dbraw/zinc/18/63/55/175186355.db2.gz GATZKLRMTCRWSQ-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044503244 175186578 /nfs/dbraw/zinc/18/65/78/175186578.db2.gz CKKMCSWBQOAFLN-VIFPVBQESA-N 1 0 292.364 2.616 10 5 CFBERO [NH3+]CCCCCCc1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731964 175240939 /nfs/dbraw/zinc/24/09/39/175240939.db2.gz QPXHLDXIKMUDRB-UHFFFAOYSA-N 1 0 290.323 2.706 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000229611792 274630859 /nfs/dbraw/zinc/63/08/59/274630859.db2.gz FKRDICOEURXSHW-PWSUYJOCSA-N 1 0 286.335 2.695 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070174934 278317828 /nfs/dbraw/zinc/31/78/28/278317828.db2.gz DYLBSBBAGFPZMP-ZJUUUORDSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235665598 279723217 /nfs/dbraw/zinc/72/32/17/279723217.db2.gz MXAOSDAMDQVJLF-GXFFZTMASA-N 1 0 297.786 2.807 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000133697496 281010509 /nfs/dbraw/zinc/01/05/09/281010509.db2.gz YAVIDURGYMQLPB-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000389726265 324520399 /nfs/dbraw/zinc/52/03/99/324520399.db2.gz LBDQRJUWZMFZJY-QPUJVOFHSA-N 1 0 269.732 2.658 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000536958041 330383627 /nfs/dbraw/zinc/38/36/27/330383627.db2.gz HERDMCXUNNBOTE-LBPRGKRZSA-N 1 0 294.351 2.963 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000536960347 330384080 /nfs/dbraw/zinc/38/40/80/330384080.db2.gz ZMBWOQPIOKKSGR-LBPRGKRZSA-N 1 0 294.351 2.963 10 5 CFBERO CC(C)CC[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817648 519651115 /nfs/dbraw/zinc/65/11/15/519651115.db2.gz DLKFWSGQSKFIAS-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049197526 519814811 /nfs/dbraw/zinc/81/48/11/519814811.db2.gz GMDCAKMYGJFAQU-WFASDCNBSA-N 1 0 279.384 2.832 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000229595483 518185034 /nfs/dbraw/zinc/18/50/34/518185034.db2.gz ZWYHTDBMTWXRHV-KCJUWKMLSA-N 1 0 269.732 2.801 10 5 CFBERO CC(C)(C)[NH2+]Cc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000069236467 518767543 /nfs/dbraw/zinc/76/75/43/518767543.db2.gz VGSBCPFWDWYULD-UHFFFAOYSA-N 1 0 274.324 2.873 10 5 CFBERO CC(C)(C)[NH2+]Cc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000051015472 518767674 /nfs/dbraw/zinc/76/76/74/518767674.db2.gz UUTHKWUKBUNGBP-UHFFFAOYSA-N 1 0 288.351 2.728 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000070535881 519796436 /nfs/dbraw/zinc/79/64/36/519796436.db2.gz USAYGBRESSREDE-JTQLQIEISA-N 1 0 257.721 2.643 10 5 CFBERO CCC[NH+]1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000049561671 519847803 /nfs/dbraw/zinc/84/78/03/519847803.db2.gz DNQOKLWINIBNLC-UHFFFAOYSA-N 1 0 298.774 2.930 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000050618773 520080316 /nfs/dbraw/zinc/08/03/16/520080316.db2.gz GMCNGJCCPDULMT-ZETCQYMHSA-N 1 0 296.714 2.969 10 5 CFBERO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444802 521311004 /nfs/dbraw/zinc/31/10/04/521311004.db2.gz KSTNKYKODSCLDR-UHFFFAOYSA-N 1 0 297.786 2.822 10 5 CFBERO CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000157888015 521683509 /nfs/dbraw/zinc/68/35/09/521683509.db2.gz LQFSUYCTLRAFAV-GFCCVEGCSA-N 1 0 297.786 2.822 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCc2cccs2)c1 ZINC000050516785 522125237 /nfs/dbraw/zinc/12/52/37/522125237.db2.gz ZHSHQJZIWDKHAS-UHFFFAOYSA-N 1 0 278.333 2.955 10 5 CFBERO CC[C@H]([NH2+]C1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230676232 522559785 /nfs/dbraw/zinc/55/97/85/522559785.db2.gz VXUONEFVYGMWLS-UBHUBRDASA-N 1 0 264.325 2.813 10 5 CFBERO CNc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813309 522605910 /nfs/dbraw/zinc/60/59/10/522605910.db2.gz XYAUPEZGIMTNRR-NSHDSACASA-N 1 0 281.381 2.574 10 5 CFBERO COc1cc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1F ZINC000261751959 522738401 /nfs/dbraw/zinc/73/84/01/522738401.db2.gz TZBGUUUFWPPHIW-UHFFFAOYSA-N 1 0 297.330 2.816 10 5 CFBERO COc1cc(N[C@@H](C)CCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313106667 522756826 /nfs/dbraw/zinc/75/68/26/522756826.db2.gz YYNWERUVYFGPCK-VIFPVBQESA-N 1 0 285.319 2.672 10 5 CFBERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812885 523029987 /nfs/dbraw/zinc/02/99/87/523029987.db2.gz RGNHEBRWFLRXCO-LBPRGKRZSA-N 1 0 263.341 2.942 10 5 CFBERO CC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813062 523922873 /nfs/dbraw/zinc/92/28/73/523922873.db2.gz HQNWKTBYYMWYKU-JTQLQIEISA-N 1 0 251.330 2.867 10 5 CFBERO C[C@H](CC[NH3+])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000311443759 524172306 /nfs/dbraw/zinc/17/23/06/524172306.db2.gz HFGOXPUNBMTNOI-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO Cc1cc(C)c(OCCCCC(N)=[NH2+])c([N+](=O)[O-])c1 ZINC000050441916 524308803 /nfs/dbraw/zinc/30/88/03/524308803.db2.gz ATZILRFVDCEPNX-UHFFFAOYSA-N 1 0 265.313 2.697 10 5 CFBERO Cc1cccc(COc2cc(C[NH3+])ccc2[N+](=O)[O-])c1 ZINC000050516614 524445673 /nfs/dbraw/zinc/44/56/73/524445673.db2.gz RBKBTHSRENKDTC-UHFFFAOYSA-N 1 0 272.304 2.941 10 5 CFBERO C[C@@H](CC[NH+](C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443879 524473624 /nfs/dbraw/zinc/47/36/24/524473624.db2.gz DLMKVDDAAOCRKX-JTQLQIEISA-N 1 0 285.775 2.678 10 5 CFBERO COc1ccc(N[C@@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000049558231 524702217 /nfs/dbraw/zinc/70/22/17/524702217.db2.gz AHNCCROBZVJGDQ-LBPRGKRZSA-N 1 0 295.383 2.992 10 5 CFBERO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000049156498 524761306 /nfs/dbraw/zinc/76/13/06/524761306.db2.gz PHCRANPYEYNRQE-SECBINFHSA-N 1 0 266.322 2.970 10 5 CFBERO COc1ccc(Oc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000069330875 524995347 /nfs/dbraw/zinc/99/53/47/524995347.db2.gz BUGFGXNMJJICKY-UHFFFAOYSA-N 1 0 274.276 2.854 10 5 CFBERO Cc1ccc(N[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000049184174 525309810 /nfs/dbraw/zinc/30/98/10/525309810.db2.gz CTIZLAAGWDLKRO-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO Cc1ccc(N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000061700962 525313264 /nfs/dbraw/zinc/31/32/64/525313264.db2.gz FVGKZSFFBVQLNL-ZDUSSCGKSA-N 1 0 265.357 2.901 10 5 CFBERO Cc1ccc(OC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000061701644 525372503 /nfs/dbraw/zinc/37/25/03/525372503.db2.gz WJTYABGOPFPZKP-UHFFFAOYSA-N 1 0 250.298 2.552 10 5 CFBERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000052278844 525498800 /nfs/dbraw/zinc/49/88/00/525498800.db2.gz XDMPZCIGJCBPTD-RDDDGLTNSA-N 1 0 285.141 2.855 10 5 CFBERO C[C@H](Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050164101 525643892 /nfs/dbraw/zinc/64/38/92/525643892.db2.gz MLLVAINWBDJFPQ-UWVGGRQHSA-N 1 0 267.304 2.534 10 5 CFBERO Cc1c(COCC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000051917981 525732743 /nfs/dbraw/zinc/73/27/43/525732743.db2.gz FKXRKDLDSFAJLE-CYBMUJFWSA-N 1 0 278.352 2.810 10 5 CFBERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000050943972 526565344 /nfs/dbraw/zinc/56/53/44/526565344.db2.gz BOIQPVVLXWKOIM-LLVKDONJSA-N 1 0 295.314 2.595 10 5 CFBERO [NH3+]CC[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157890526 527194288 /nfs/dbraw/zinc/19/42/88/527194288.db2.gz TXTLNZHDFJCXDG-GFCCVEGCSA-N 1 0 297.786 2.952 10 5 CFBERO [NH3+]C[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159486428 527232112 /nfs/dbraw/zinc/23/21/12/527232112.db2.gz VPGDSGYCFAAJBL-LLVKDONJSA-N 1 0 283.759 2.561 10 5 CFBERO [NH3+]Cc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000063191046 527259246 /nfs/dbraw/zinc/25/92/46/527259246.db2.gz DAFHFMCEVMILKT-UHFFFAOYSA-N 1 0 286.291 2.698 10 5 CFBERO [NH3+]Cc1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000069331245 527260411 /nfs/dbraw/zinc/26/04/11/527260411.db2.gz RVTDLSNDIFCZHR-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccccn1 ZINC000050443149 527332830 /nfs/dbraw/zinc/33/28/30/527332830.db2.gz LXTLLLRTCJJFEX-UHFFFAOYSA-N 1 0 291.738 2.976 10 5 CFBERO O=[N+]([O-])c1cccc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000051862043 527388559 /nfs/dbraw/zinc/38/85/59/527388559.db2.gz PBVLEXHPPOMSHU-CYBMUJFWSA-N 1 0 264.325 2.644 10 5 CFBERO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000051693771 618049321 /nfs/dbraw/zinc/04/93/21/618049321.db2.gz LNRYNANAIZEYFI-UHFFFAOYSA-N 1 0 269.732 2.930 10 5 CFBERO C[C@]1(CNc2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000261582133 618087272 /nfs/dbraw/zinc/08/72/72/618087272.db2.gz GNQWMLHJRSIUHO-ZDUSSCGKSA-N 1 0 267.304 2.536 10 5 CFBERO Cc1cc(NC2CCC([NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000261593260 618109753 /nfs/dbraw/zinc/10/97/53/618109753.db2.gz MVLSJBOGIRNASQ-UHFFFAOYSA-N 1 0 267.304 2.724 10 5 CFBERO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CCCO)ccc1Cl ZINC000052759535 618195669 /nfs/dbraw/zinc/19/56/69/618195669.db2.gz LOMKVYDQAZMAPM-GFCCVEGCSA-N 1 0 298.770 2.985 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320489265 619894687 /nfs/dbraw/zinc/89/46/87/619894687.db2.gz HYBANCWYZKOLSM-YUMQZZPRSA-N 1 0 257.721 2.786 10 5 CFBERO Cc1cnn(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000227210446 623100972 /nfs/dbraw/zinc/10/09/72/623100972.db2.gz VMRFDFHINHKRRD-UHFFFAOYSA-N 1 0 294.742 2.543 10 5 CFBERO COc1cc(NCC2(C)CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000227861098 623122393 /nfs/dbraw/zinc/12/23/93/623122393.db2.gz UQRAIYTUDQMDEC-UHFFFAOYSA-N 1 0 297.330 2.544 10 5 CFBERO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231668224 623362207 /nfs/dbraw/zinc/36/22/07/623362207.db2.gz NNKYSYVYZVYXOC-ZDUSSCGKSA-N 1 0 297.786 2.822 10 5 CFBERO CCOc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108451 650827788 /nfs/dbraw/zinc/82/77/88/650827788.db2.gz LCQJMFRDVAPVTB-WCQYABFASA-N 1 0 293.367 2.923 10 5 CFBERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089386940 650840067 /nfs/dbraw/zinc/84/00/67/650840067.db2.gz QWKSUCFEWUYVFF-WCQYABFASA-N 1 0 291.351 2.607 10 5 CFBERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000130011539 645441854 /nfs/dbraw/zinc/44/18/54/645441854.db2.gz HLVGQHJIHCIWEO-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO CCOc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050442 646450790 /nfs/dbraw/zinc/45/07/90/646450790.db2.gz YOBJMEBKGQGBDU-RYUDHWBXSA-N 1 0 293.367 2.794 10 5 CFBERO Cc1ccc(NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000596030205 349778502 /nfs/dbraw/zinc/77/85/02/349778502.db2.gz OGNANVLPGNTMKQ-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO CC(C)[C@H]([NH3+])CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000596030353 349778597 /nfs/dbraw/zinc/77/85/97/349778597.db2.gz VAIXPILBIGERJB-LLVKDONJSA-N 1 0 273.283 2.658 10 5 CFBERO CCOc1cc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000111051148 347752298 /nfs/dbraw/zinc/75/22/98/347752298.db2.gz KVEGSFDVMQSEGQ-GFCCVEGCSA-N 1 0 279.340 2.548 10 5 CFBERO CO[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431412 347943862 /nfs/dbraw/zinc/94/38/62/347943862.db2.gz XSSJNERTFYGTSL-SMDDNHRTSA-N 1 0 264.325 2.594 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000217628010 348164978 /nfs/dbraw/zinc/16/49/78/348164978.db2.gz AYEBLQSGUISVRD-ZKYQVNSYSA-N 1 0 264.325 2.549 10 5 CFBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000217622504 348165249 /nfs/dbraw/zinc/16/52/49/348165249.db2.gz ZBXRSVXVNMWKPC-FPMFFAJLSA-N 1 0 278.352 2.857 10 5 CFBERO CC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251529689 348292673 /nfs/dbraw/zinc/29/26/73/348292673.db2.gz AHPFLVPNWYJUMC-MWLCHTKSSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000087931547 179526449 /nfs/dbraw/zinc/52/64/49/179526449.db2.gz WBDAMDVKBMRBMB-ZIAGYGMSSA-N 1 0 298.770 2.671 10 5 CFBERO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1C ZINC000089150493 179725847 /nfs/dbraw/zinc/72/58/47/179725847.db2.gz BYQQYLNPLLVWHQ-VXGBXAGGSA-N 1 0 263.341 2.751 10 5 CFBERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000600963462 350638844 /nfs/dbraw/zinc/63/88/44/350638844.db2.gz DAAXKXGJVRBQJD-XYPYZODXSA-N 1 0 281.331 2.972 10 5 CFBERO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000183122619 189347394 /nfs/dbraw/zinc/34/73/94/189347394.db2.gz WKEUIJPCLNUSAP-SWLSCSKDSA-N 1 0 294.351 2.521 10 5 CFBERO COc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227859964 189788891 /nfs/dbraw/zinc/78/88/91/189788891.db2.gz IXVSMJUNXXXWGV-ZJUUUORDSA-N 1 0 297.330 2.543 10 5 CFBERO CCC([NH3+])(CC)CNc1cccc(C)c1[N+](=O)[O-] ZINC000232993716 189819263 /nfs/dbraw/zinc/81/92/63/189819263.db2.gz XALIBSPNWIHKOF-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO [NH3+]C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236203025 189832793 /nfs/dbraw/zinc/83/27/93/189832793.db2.gz WRVHPCSDBGGUJL-LBPRGKRZSA-N 1 0 285.294 2.802 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000053255231 373471069 /nfs/dbraw/zinc/47/10/69/373471069.db2.gz LMYOBLYHYDGNKH-SECBINFHSA-N 1 0 289.257 2.778 10 5 CFBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Br ZINC000063171438 373790860 /nfs/dbraw/zinc/79/08/60/373790860.db2.gz QGZUFXSSHFBNEE-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000075782932 374503393 /nfs/dbraw/zinc/50/33/93/374503393.db2.gz VJRKHHORMNWHTR-NOZJJQNGSA-N 1 0 284.743 2.905 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089165721 374882694 /nfs/dbraw/zinc/88/26/94/374882694.db2.gz RKJDNAYOYHRSJP-LNSITVRQSA-N 1 0 278.352 2.715 10 5 CFBERO O=[N+]([O-])c1ccc2nc(C[NH+]3CCCC3)ccc2c1 ZINC000090367516 375010273 /nfs/dbraw/zinc/01/02/73/375010273.db2.gz DDIHBRSLYYKIDQ-UHFFFAOYSA-N 1 0 257.293 2.739 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000111830413 375872444 /nfs/dbraw/zinc/87/24/44/375872444.db2.gz HBDFEVCCTVMOQD-JTQLQIEISA-N 1 0 255.293 2.519 10 5 CFBERO CCOc1cccc(NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000129439518 377426862 /nfs/dbraw/zinc/42/68/62/377426862.db2.gz OGYYYXIEGVUVIV-UHFFFAOYSA-N 1 0 293.367 2.795 10 5 CFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000131431736 377711704 /nfs/dbraw/zinc/71/17/04/377711704.db2.gz UTDSPURRBUHVJR-GFCCVEGCSA-N 1 0 278.356 2.522 10 5 CFBERO CC[C@H](C)NC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181545945 380823299 /nfs/dbraw/zinc/82/32/99/380823299.db2.gz GCWMRQYNRCPNGE-FZMZJTMJSA-N 1 0 293.367 2.550 10 5 CFBERO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000302768755 382312857 /nfs/dbraw/zinc/31/28/57/382312857.db2.gz MFJPEQBXKVIZHH-LLVKDONJSA-N 1 0 283.759 2.779 10 5 CFBERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000312311734 382514615 /nfs/dbraw/zinc/51/46/15/382514615.db2.gz QDLDUPGZSKHCMV-XVKPBYJWSA-N 1 0 289.257 2.540 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000382486121 382531269 /nfs/dbraw/zinc/53/12/69/382531269.db2.gz ZNMDNGCURHNBNZ-HTQZYQBOSA-N 1 0 271.267 2.555 10 5 CFBERO [NH3+][C@@H](CC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000575437689 382771143 /nfs/dbraw/zinc/77/11/43/382771143.db2.gz OSYOSPYXNXKBPM-ZETCQYMHSA-N 1 0 250.632 2.903 10 5 CFBERO COc1cc(N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000234926399 382875889 /nfs/dbraw/zinc/87/58/89/382875889.db2.gz MIVCSTQFEPCBOI-GFCCVEGCSA-N 1 0 279.340 2.533 10 5 CFBERO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000235539110 382883918 /nfs/dbraw/zinc/88/39/18/382883918.db2.gz LSEVBSWOPJPVBC-DTWKUNHWSA-N 1 0 285.294 2.673 10 5 CFBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1F ZINC000566905277 383223015 /nfs/dbraw/zinc/22/30/15/383223015.db2.gz BQHGIWFNVAWASW-UHFFFAOYSA-N 1 0 255.293 2.534 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000158933522 394362158 /nfs/dbraw/zinc/36/21/58/394362158.db2.gz FFVIGHHLKAIHPT-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000235889995 397626782 /nfs/dbraw/zinc/62/67/82/397626782.db2.gz DORFKHBWWPPLBU-CYBMUJFWSA-N 1 0 263.341 2.833 10 5 CFBERO CC1=C[C@@H](C)C(=O)N(CC[N+]2(C)CCCC2)C(C)=C1 ZINC000006030559 170169986 /nfs/dbraw/zinc/16/99/86/170169986.db2.gz NUYLOBSGRITFFY-CQSZACIVSA-N 1 0 263.405 2.555 10 5 CFBERO [NH3+]Cc1cccc(Oc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000034017974 171829478 /nfs/dbraw/zinc/82/94/78/171829478.db2.gz XPDZIHOVUCQSSR-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[NH2+]Cc1ccc(OCCC(C)C)c([N+](=O)[O-])c1 ZINC000034660147 171851590 /nfs/dbraw/zinc/85/15/90/171851590.db2.gz WYYFSRPJJAEWSK-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000035414801 172189160 /nfs/dbraw/zinc/18/91/60/172189160.db2.gz LANMRAIHUIBOFD-UHFFFAOYSA-N 1 0 250.298 2.636 10 5 CFBERO CC(C)[C@@H](C)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338971 173140803 /nfs/dbraw/zinc/14/08/03/173140803.db2.gz CVCDEBIGBWVRDL-LLVKDONJSA-N 1 0 264.325 2.754 10 5 CFBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000038043465 174050835 /nfs/dbraw/zinc/05/08/35/174050835.db2.gz VNTFCRBFAZLRJZ-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000038129224 174131963 /nfs/dbraw/zinc/13/19/63/174131963.db2.gz UAWKBQBKPUDPCI-SNVBAGLBSA-N 1 0 250.229 2.569 10 5 CFBERO C[N@@H+]1CCC[C@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240551 174213636 /nfs/dbraw/zinc/21/36/36/174213636.db2.gz OBOZZSGUEOMRJQ-VIFPVBQESA-N 1 0 285.731 2.506 10 5 CFBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2cccs2)cc1 ZINC000040676056 174373796 /nfs/dbraw/zinc/37/37/96/174373796.db2.gz HOZHLIKNRBFHGJ-ZDUSSCGKSA-N 1 0 292.360 2.522 10 5 CFBERO CN(c1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747335 174392917 /nfs/dbraw/zinc/39/29/17/174392917.db2.gz NZJNTJGZVLJWML-FOSCPWQOSA-N 1 0 295.770 2.967 10 5 CFBERO CCN(c1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748710 174394145 /nfs/dbraw/zinc/39/41/45/174394145.db2.gz MOBKPHHDDSUKJO-QYJAPNMZSA-N 1 0 293.342 2.843 10 5 CFBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 ZINC000043458022 175050362 /nfs/dbraw/zinc/05/03/62/175050362.db2.gz IIAJDKORDHYXME-UHFFFAOYSA-N 1 0 288.303 2.511 10 5 CFBERO [NH3+]Cc1ccccc1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473337 175053722 /nfs/dbraw/zinc/05/37/22/175053722.db2.gz LHIJEQXTHKZYPQ-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000043474017 175054044 /nfs/dbraw/zinc/05/40/44/175054044.db2.gz BUCSQTXMGHITHA-WDEREUQCSA-N 1 0 281.331 2.876 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000043494718 175057664 /nfs/dbraw/zinc/05/76/64/175057664.db2.gz QIYGPJKGYQGZKI-SECBINFHSA-N 1 0 270.716 2.769 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1OCC[C@H]1CCCC[NH2+]1 ZINC000043499247 175058015 /nfs/dbraw/zinc/05/80/15/175058015.db2.gz GQTUFGJGXUEBJB-LLVKDONJSA-N 1 0 280.324 2.514 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044386858 175170255 /nfs/dbraw/zinc/17/02/55/175170255.db2.gz XTKWXEXQRCUKGN-GFCCVEGCSA-N 1 0 251.330 2.593 10 5 CFBERO C[C@H](C[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235464488 270262203 /nfs/dbraw/zinc/26/22/03/270262203.db2.gz NBELPMNTHFVDPV-RXMQYKEDSA-N 1 0 264.112 2.661 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092325 274949406 /nfs/dbraw/zinc/94/94/06/274949406.db2.gz FDWJLDSEBGNGMR-WPRPVWTQSA-N 1 0 269.732 2.788 10 5 CFBERO C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235686517 278370075 /nfs/dbraw/zinc/37/00/75/278370075.db2.gz NAAYXXZCVGNSCA-GXSJLCMTSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000133701541 280864358 /nfs/dbraw/zinc/86/43/58/280864358.db2.gz FBZZYYWBZSIHBX-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000158933786 281261219 /nfs/dbraw/zinc/26/12/19/281261219.db2.gz FFVIGHHLKAIHPT-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO NC(=[NH2+])CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440491 526815785 /nfs/dbraw/zinc/81/57/85/526815785.db2.gz GOHPTADZFHPHLN-UHFFFAOYSA-N 1 0 278.095 2.606 10 5 CFBERO [NH3+]C[C@@H]1CC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382487227 324429955 /nfs/dbraw/zinc/42/99/55/324429955.db2.gz GYIDCBRJGADBHA-RKDXNWHRSA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]CC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000383416106 324439100 /nfs/dbraw/zinc/43/91/00/324439100.db2.gz YMNGZIDJQJZAPP-MRVPVSSYSA-N 1 0 279.674 2.643 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049218718 519793983 /nfs/dbraw/zinc/79/39/83/519793983.db2.gz MPGNHQJFKBADSI-CYBMUJFWSA-N 1 0 269.320 2.732 10 5 CFBERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457815 519695438 /nfs/dbraw/zinc/69/54/38/519695438.db2.gz YPMAEBPHCIHALJ-HEHGZKQESA-N 1 0 291.395 2.974 10 5 CFBERO CC(C)[NH2+]CCCOc1ccc([N+](=O)[O-])c2cnccc12 ZINC000051872162 519720543 /nfs/dbraw/zinc/72/05/43/519720543.db2.gz MGFXIXNGFHWHOF-UHFFFAOYSA-N 1 0 289.335 2.910 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443742 519793845 /nfs/dbraw/zinc/79/38/45/519793845.db2.gz IIJSZDKUDHVYGY-CYBMUJFWSA-N 1 0 299.802 2.924 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049197628 519814516 /nfs/dbraw/zinc/81/45/16/519814516.db2.gz QPUUENQIFOCTDG-AWEZNQCLSA-N 1 0 299.802 2.924 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049197303 519814754 /nfs/dbraw/zinc/81/47/54/519814754.db2.gz UPZARQUZQKZXJQ-WFASDCNBSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049231149 519814938 /nfs/dbraw/zinc/81/49/38/519814938.db2.gz WYCIZHJESVVLLU-VIFPVBQESA-N 1 0 286.763 2.641 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000070535880 519817812 /nfs/dbraw/zinc/81/78/12/519817812.db2.gz USAYGBRESSREDE-SNVBAGLBSA-N 1 0 257.721 2.643 10 5 CFBERO CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000051869187 519918642 /nfs/dbraw/zinc/91/86/42/519918642.db2.gz GEACGQZTANKLNR-UHFFFAOYSA-N 1 0 292.257 2.992 10 5 CFBERO CCCNc1ccc(C[N@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817933 520155395 /nfs/dbraw/zinc/15/53/95/520155395.db2.gz PUWHAEFFEYGQIV-UHFFFAOYSA-N 1 0 295.383 2.619 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000050618972 520181136 /nfs/dbraw/zinc/18/11/36/520181136.db2.gz XVHHVXIKPGKAGD-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CCCC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815432 520544298 /nfs/dbraw/zinc/54/42/98/520544298.db2.gz YVMKRVZLPMVILD-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000160675639 521049740 /nfs/dbraw/zinc/04/97/40/521049740.db2.gz FHNPNZUCICMDRZ-VIFPVBQESA-N 1 0 285.319 2.672 10 5 CFBERO CCOc1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000054242464 521126497 /nfs/dbraw/zinc/12/64/97/521126497.db2.gz XNXHTNOFXPFYBX-UHFFFAOYSA-N 1 0 293.367 2.747 10 5 CFBERO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)C[C@@H]1CCCO1 ZINC000050815167 521296830 /nfs/dbraw/zinc/29/68/30/521296830.db2.gz GIGZDMQNRWEUSA-AWEZNQCLSA-N 1 0 293.367 2.637 10 5 CFBERO C[NH2+][C@H]1CCCc2nc(-c3ccccc3[N+](=O)[O-])ncc21 ZINC000050094321 522498826 /nfs/dbraw/zinc/49/88/26/522498826.db2.gz NCBGSSYQTVKRAD-LBPRGKRZSA-N 1 0 284.319 2.649 10 5 CFBERO CNc1ccc(C[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000050812984 522606641 /nfs/dbraw/zinc/60/66/41/522606641.db2.gz VRSYDLMVWJWNJV-UHFFFAOYSA-N 1 0 251.330 2.724 10 5 CFBERO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050813836 523090571 /nfs/dbraw/zinc/09/05/71/523090571.db2.gz ACPWGSSMTUYDDD-NSHDSACASA-N 1 0 263.341 2.799 10 5 CFBERO COCCCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517204 523409061 /nfs/dbraw/zinc/40/90/61/523409061.db2.gz UODFZAGRZIUWBV-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792802 524189756 /nfs/dbraw/zinc/18/97/56/524189756.db2.gz NQBKFFQZDMTIHW-QWRGUYRKSA-N 1 0 263.341 2.940 10 5 CFBERO Cc1cc(C)c(Oc2cc(C(N)=[NH2+])ccn2)c([N+](=O)[O-])c1 ZINC000050441908 524311551 /nfs/dbraw/zinc/31/15/51/524311551.db2.gz UABZOUNQWKMAMM-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150096 524591721 /nfs/dbraw/zinc/59/17/21/524591721.db2.gz LFRPYRSYAPIPJF-STQMWFEESA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H](C[NH+]1CCCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443723 524593054 /nfs/dbraw/zinc/59/30/54/524593054.db2.gz PXBMVKFORSUWKY-NSHDSACASA-N 1 0 297.786 2.822 10 5 CFBERO Cc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000049198264 524606542 /nfs/dbraw/zinc/60/65/42/524606542.db2.gz APXKBEAQNUZNRA-CQSZACIVSA-N 1 0 279.384 2.579 10 5 CFBERO C[C@@H]([NH3+])Cc1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000054160994 524999748 /nfs/dbraw/zinc/99/97/48/524999748.db2.gz XIXXXVZSDPKQPA-MRVPVSSYSA-N 1 0 263.322 2.608 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157886954 525017730 /nfs/dbraw/zinc/01/77/30/525017730.db2.gz WHACKKYSTPJQLN-ZWNOBZJWSA-N 1 0 297.786 2.950 10 5 CFBERO Cc1cc(N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000336792317 525290116 /nfs/dbraw/zinc/29/01/16/525290116.db2.gz RMRSGOZLSLELRW-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO Cc1cc(N[C@@H]2CCCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000063214711 525296522 /nfs/dbraw/zinc/29/65/22/525296522.db2.gz XQMSMYXVHUBYLK-CHWSQXEVSA-N 1 0 263.341 2.975 10 5 CFBERO Cc1cc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1C ZINC000050439419 525304726 /nfs/dbraw/zinc/30/47/26/525304726.db2.gz SFZJXVMQWRVRPD-AWEZNQCLSA-N 1 0 275.352 2.718 10 5 CFBERO Cc1ccc(N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000061700998 525309049 /nfs/dbraw/zinc/30/90/49/525309049.db2.gz LTOAAHZJMKYVJX-NSHDSACASA-N 1 0 251.330 2.655 10 5 CFBERO Cc1ccc(N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000061701212 525319979 /nfs/dbraw/zinc/31/99/79/525319979.db2.gz FVSNWQHWZJAUFD-ZDUSSCGKSA-N 1 0 275.352 2.990 10 5 CFBERO COc1ccc([N+](=O)[O-])c(N[C@@H](C)CCCC[NH3+])c1 ZINC000311706641 525452424 /nfs/dbraw/zinc/45/24/24/525452424.db2.gz MYMUCOXOOXYLKC-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccsc1 ZINC000049181381 525460884 /nfs/dbraw/zinc/46/08/84/525460884.db2.gz CSYFXNMHBMQVKX-UHFFFAOYSA-N 1 0 292.360 2.997 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000167793068 525570556 /nfs/dbraw/zinc/57/05/56/525570556.db2.gz DKLOGTDVDAOLNX-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1OCCC[NH2+]C(C)C ZINC000051872063 525572787 /nfs/dbraw/zinc/57/27/87/525572787.db2.gz CSIIRMDSBNSLOL-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000051581207 526013173 /nfs/dbraw/zinc/01/31/73/526013173.db2.gz IORKCRGOEJQZNX-UHFFFAOYSA-N 1 0 271.276 2.980 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944538 526078052 /nfs/dbraw/zinc/07/80/52/526078052.db2.gz FPYDOIZWSANNSV-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1cnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000220917070 526123913 /nfs/dbraw/zinc/12/39/13/526123913.db2.gz VOPBPGKLZHMXPP-LLVKDONJSA-N 1 0 275.308 2.785 10 5 CFBERO Cc1nc(-c2cccc([N+](=O)[O-])c2)[nH+]c(NN)c1C(C)C ZINC000061688972 526594574 /nfs/dbraw/zinc/59/45/74/526594574.db2.gz KCWVDJWTSQXTJN-UHFFFAOYSA-N 1 0 287.323 2.769 10 5 CFBERO NC(=[NH2+])c1cccc(COc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000052065401 526823955 /nfs/dbraw/zinc/82/39/55/526823955.db2.gz PJQYOTWBSFKFHF-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO Cc1nc2cc(OCC[NH2+]C(C)C)c([N+](=O)[O-])cc2s1 ZINC000051871684 527131533 /nfs/dbraw/zinc/13/15/33/527131533.db2.gz SCOAGJISVOGROE-UHFFFAOYSA-N 1 0 295.364 2.890 10 5 CFBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089092326 527236435 /nfs/dbraw/zinc/23/64/35/527236435.db2.gz QRXYDODKWZLTSW-LDYMZIIASA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000061799224 527263925 /nfs/dbraw/zinc/26/39/25/527263925.db2.gz NGTNNDIAPQWIBO-UHFFFAOYSA-N 1 0 269.713 2.830 10 5 CFBERO [NH3+][C@@H](CC[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000069395925 527331279 /nfs/dbraw/zinc/33/12/79/527331279.db2.gz AURRXFDTUHRPHL-UONOGXRCSA-N 1 0 278.352 2.814 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000050470247 527372966 /nfs/dbraw/zinc/37/29/66/527372966.db2.gz VXXKREYNNUXTME-SECBINFHSA-N 1 0 270.716 2.769 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1c(Cl)cccc1[N+](=O)[O-] ZINC000234261518 618127204 /nfs/dbraw/zinc/12/72/04/618127204.db2.gz PSZBGMGSPXKVIB-UHFFFAOYSA-N 1 0 271.748 2.669 10 5 CFBERO Cc1cc(NCC2(C)CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000261664898 619196081 /nfs/dbraw/zinc/19/60/81/619196081.db2.gz FKDLYNKEUOMUGD-UHFFFAOYSA-N 1 0 281.331 2.844 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCC[NH2+]C1 ZINC000130586412 645528516 /nfs/dbraw/zinc/52/85/16/645528516.db2.gz AAULVMSNNMNTCR-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO [NH3+][C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000133176894 646048709 /nfs/dbraw/zinc/04/87/09/646048709.db2.gz JFIASPZLVCCBSY-SNVBAGLBSA-N 1 0 289.257 2.763 10 5 CFBERO O=[N+]([O-])c1cccnc1NCC[NH2+]C1CCCCCC1 ZINC000133548046 646142722 /nfs/dbraw/zinc/14/27/22/646142722.db2.gz IXISGKKSWNFIHQ-UHFFFAOYSA-N 1 0 278.356 2.714 10 5 CFBERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000133585151 646165002 /nfs/dbraw/zinc/16/50/02/646165002.db2.gz PTDGHAXEIXJAPX-LBPRGKRZSA-N 1 0 269.320 2.544 10 5 CFBERO C[N+](C)(C)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000006519618 717104160 /nfs/dbraw/zinc/10/41/60/717104160.db2.gz IGOIQFTUEQOMOY-KRWDZBQOSA-N 1 0 256.369 2.975 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000312683068 348420474 /nfs/dbraw/zinc/42/04/74/348420474.db2.gz ANCXQJFNMTVWIY-UHFFFAOYSA-N 1 0 281.356 2.841 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320731880 348436456 /nfs/dbraw/zinc/43/64/56/348436456.db2.gz SXDMRXYLTKDXMS-HTQZYQBOSA-N 1 0 257.721 2.786 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000320797387 348437569 /nfs/dbraw/zinc/43/75/69/348437569.db2.gz GRYRGUAOVHXCEC-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000321000599 348437738 /nfs/dbraw/zinc/43/77/38/348437738.db2.gz ZNMKPFXBJJVDHI-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000129283626 187421671 /nfs/dbraw/zinc/42/16/71/187421671.db2.gz LVIGSJGGDVUNIZ-CYBMUJFWSA-N 1 0 267.304 2.536 10 5 CFBERO C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000105459298 186057569 /nfs/dbraw/zinc/05/75/69/186057569.db2.gz RIUXTNYKWLDOBV-UHFFFAOYSA-N 1 0 297.786 2.680 10 5 CFBERO Cc1cnn(CC[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000105908674 186087701 /nfs/dbraw/zinc/08/77/01/186087701.db2.gz UQWZMIJEKHKLLU-UHFFFAOYSA-N 1 0 294.742 2.543 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962660 350638128 /nfs/dbraw/zinc/63/81/28/350638128.db2.gz IRBDAHXVQZAETM-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000600962707 350638661 /nfs/dbraw/zinc/63/86/61/350638661.db2.gz KCRWMNFCRSERAL-SFYZADRCSA-N 1 0 289.257 2.540 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000600962782 350638823 /nfs/dbraw/zinc/63/88/23/350638823.db2.gz MDAZZXUZVBFGJW-KYZUINATSA-N 1 0 285.294 2.802 10 5 CFBERO CCOc1cccc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600954614 350636724 /nfs/dbraw/zinc/63/67/24/350636724.db2.gz FNACJFNACPPXCP-WDEREUQCSA-N 1 0 279.340 2.546 10 5 CFBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000089106098 283513347 /nfs/dbraw/zinc/51/33/47/283513347.db2.gz VSIFSCHQGNJLET-YPMHNXCESA-N 1 0 286.335 2.682 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463466 201018535 /nfs/dbraw/zinc/01/85/35/201018535.db2.gz FUGZUSHGZCVLRM-LBPRGKRZSA-N 1 0 281.331 2.654 10 5 CFBERO CCOc1cc(N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000229596426 189800316 /nfs/dbraw/zinc/80/03/16/189800316.db2.gz KYXBVASWCSVCBE-JQWIXIFHSA-N 1 0 279.340 2.546 10 5 CFBERO C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235328387 189826812 /nfs/dbraw/zinc/82/68/12/189826812.db2.gz XOMFQORGINICAY-ZYHUDNBSSA-N 1 0 297.786 2.807 10 5 CFBERO [NH3+]C1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000236183081 189832869 /nfs/dbraw/zinc/83/28/69/189832869.db2.gz PICUXPPGLNOFCR-UHFFFAOYSA-N 1 0 255.705 2.542 10 5 CFBERO [NH3+][C@@H]1CN(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795921 372189863 /nfs/dbraw/zinc/18/98/63/372189863.db2.gz WNNHYNPWBDXGIV-CQSZACIVSA-N 1 0 269.304 2.615 10 5 CFBERO [NH3+]CCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000036193749 372566219 /nfs/dbraw/zinc/56/62/19/372566219.db2.gz PTUFABWTTJPVNI-UHFFFAOYSA-N 1 0 258.277 2.888 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665172 375138026 /nfs/dbraw/zinc/13/80/26/375138026.db2.gz QXCOXOFDQKXBGL-LLVKDONJSA-N 1 0 281.331 2.654 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])c2cccnc21 ZINC000093874605 375327727 /nfs/dbraw/zinc/32/77/27/375327727.db2.gz JIGICILLLWUULW-UHFFFAOYSA-N 1 0 288.351 2.564 10 5 CFBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382506691 382531741 /nfs/dbraw/zinc/53/17/41/382531741.db2.gz MZWZMGWCQDSCPZ-SCZZXKLOSA-N 1 0 269.732 2.788 10 5 CFBERO O=[N+]([O-])c1cnc(NCC[NH2+]C2CCCCCC2)s1 ZINC000226783402 382831423 /nfs/dbraw/zinc/83/14/23/382831423.db2.gz BTVRYQSCYYFWTK-UHFFFAOYSA-N 1 0 284.385 2.776 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000229597818 382852539 /nfs/dbraw/zinc/85/25/39/382852539.db2.gz BZMHWVNINWKMOM-JQWIXIFHSA-N 1 0 286.335 2.695 10 5 CFBERO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261574900 383515891 /nfs/dbraw/zinc/51/58/91/383515891.db2.gz BHVXWFSVZHGNCC-NXEZZACHSA-N 1 0 267.304 2.534 10 5 CFBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000248748545 285126276 /nfs/dbraw/zinc/12/62/76/285126276.db2.gz FTPAXXMEUCNTSX-NSHDSACASA-N 1 0 281.743 2.533 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092198 285151912 /nfs/dbraw/zinc/15/19/12/285151912.db2.gz XFCSATBYELTTRC-MRVPVSSYSA-N 1 0 279.321 2.580 10 5 CFBERO C[NH2+][C@@H](CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000081776994 177858241 /nfs/dbraw/zinc/85/82/41/177858241.db2.gz NYVKOHXCPZASFU-JTQLQIEISA-N 1 0 252.339 2.685 10 5 CFBERO Cc1c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247154716 131100793 /nfs/dbraw/zinc/10/07/93/131100793.db2.gz KFSWXXVUYNZDDD-DOMZBBRYSA-N 1 0 289.379 2.572 10 5 CFBERO CC[C@H]([NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000104437661 393860769 /nfs/dbraw/zinc/86/07/69/393860769.db2.gz WNEJVXXIDATKBL-QMMMGPOBSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000420256966 394106792 /nfs/dbraw/zinc/10/67/92/394106792.db2.gz HYTONRDPOTUPST-JTQLQIEISA-N 1 0 274.324 2.682 10 5 CFBERO CC[C@H](c1ccccc1OC(=O)NC)[N+](C)(C)C ZINC000005651497 170123946 /nfs/dbraw/zinc/12/39/46/170123946.db2.gz TZRQFBKFDYVLTP-GFCCVEGCSA-O 1 0 251.350 2.562 10 5 CFBERO CC(C)[NH2+]CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000020525354 171238194 /nfs/dbraw/zinc/23/81/94/171238194.db2.gz OKTGNPDHERLFTM-UHFFFAOYSA-N 1 0 256.277 2.501 10 5 CFBERO CCC[NH2+]CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000020525355 171238215 /nfs/dbraw/zinc/23/82/15/171238215.db2.gz INQHMRFCXBWFSJ-UHFFFAOYSA-N 1 0 256.277 2.502 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503203 174299500 /nfs/dbraw/zinc/29/95/00/174299500.db2.gz CNDZADDITVLHJH-NSHDSACASA-N 1 0 267.304 2.630 10 5 CFBERO Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000040515271 174306646 /nfs/dbraw/zinc/30/66/46/174306646.db2.gz ZBJBSIATCFFTCH-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO CC(C)(C)Nc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040581483 174344920 /nfs/dbraw/zinc/34/49/20/174344920.db2.gz UYZPFFCZZUFRPH-UHFFFAOYSA-N 1 0 288.311 2.734 10 5 CFBERO CC(C)[N@@H+]1CC[C@H](CNc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040623945 174355843 /nfs/dbraw/zinc/35/58/43/174355843.db2.gz DAOLVBOKTDCBGL-LLVKDONJSA-N 1 0 281.331 2.876 10 5 CFBERO CC[NH+]1CCC(CNc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000044416109 175173063 /nfs/dbraw/zinc/17/30/63/175173063.db2.gz CMJSJOSNVNZIBA-UHFFFAOYSA-N 1 0 293.367 2.747 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c2ccncc21 ZINC000044493197 175181349 /nfs/dbraw/zinc/18/13/49/175181349.db2.gz VCLUYVXFDUTDFA-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO CC[NH+]1CCC(CNc2cccc([N+](=O)[O-])c2)CC1 ZINC000044526345 175191498 /nfs/dbraw/zinc/19/14/98/175191498.db2.gz MTOQOAVQIGLBJU-UHFFFAOYSA-N 1 0 263.341 2.739 10 5 CFBERO CCC[C@@](C)([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732013 175240756 /nfs/dbraw/zinc/24/07/56/175240756.db2.gz JDIUOVOTIQTEGR-CYBMUJFWSA-N 1 0 276.296 2.619 10 5 CFBERO CCCN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000071332427 176125631 /nfs/dbraw/zinc/12/56/31/176125631.db2.gz NOXUHMMGJJEHBF-NSHDSACASA-N 1 0 283.759 2.827 10 5 CFBERO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000071397752 176151141 /nfs/dbraw/zinc/15/11/41/176151141.db2.gz GXDLREPEBJFKNS-SECBINFHSA-N 1 0 289.257 2.778 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659468 265248795 /nfs/dbraw/zinc/24/87/95/265248795.db2.gz GSVCREJZHXLHON-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000111830302 273516518 /nfs/dbraw/zinc/51/65/18/273516518.db2.gz KRZNPEATIABQFO-LBPRGKRZSA-N 1 0 288.351 2.928 10 5 CFBERO CC[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000104437664 273721493 /nfs/dbraw/zinc/72/14/93/273721493.db2.gz WNEJVXXIDATKBL-MRVPVSSYSA-N 1 0 277.246 2.763 10 5 CFBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229609919 274630771 /nfs/dbraw/zinc/63/07/71/274630771.db2.gz NNMDJLJJKVLBNB-SCZZXKLOSA-N 1 0 269.732 2.801 10 5 CFBERO C[NH2+]CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000063166369 277265090 /nfs/dbraw/zinc/26/50/90/277265090.db2.gz XLNRFEQBYPHPPM-UHFFFAOYSA-N 1 0 283.759 2.684 10 5 CFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125208924 278313584 /nfs/dbraw/zinc/31/35/84/278313584.db2.gz AGHBADNHNXLLEF-NXEZZACHSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cccc(N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000135052680 279971541 /nfs/dbraw/zinc/97/15/41/279971541.db2.gz KXDPWICHANKAFU-LLVKDONJSA-N 1 0 293.367 2.557 10 5 CFBERO Cc1cccc(NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000563659857 290166948 /nfs/dbraw/zinc/16/69/48/290166948.db2.gz CZVATLYHJINISZ-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228550777 295310037 /nfs/dbraw/zinc/31/00/37/295310037.db2.gz DTMLUYALAWGUPE-YUSALJHKSA-N 1 0 295.770 2.812 10 5 CFBERO CCOc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382450372 324428894 /nfs/dbraw/zinc/42/88/94/324428894.db2.gz DSAYHESOKPSANO-WDEREUQCSA-N 1 0 279.340 2.533 10 5 CFBERO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)CC1CC1 ZINC000050817600 519653986 /nfs/dbraw/zinc/65/39/86/519653986.db2.gz RKXDOFJVNVAMHS-UHFFFAOYSA-N 1 0 263.341 2.797 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1 ZINC000050516975 520001868 /nfs/dbraw/zinc/00/18/68/520001868.db2.gz CMBJWYDKTAZGDK-ZZXKWVIFSA-N 1 0 270.716 2.836 10 5 CFBERO C[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000050618356 522339683 /nfs/dbraw/zinc/33/96/83/522339683.db2.gz OGIKAIFVLXSGHN-LURJTMIESA-N 1 0 282.687 2.579 10 5 CFBERO CC(C)C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815682 519718391 /nfs/dbraw/zinc/71/83/91/519718391.db2.gz WUJWYOHNEYFNTM-UHFFFAOYSA-N 1 0 263.341 2.797 10 5 CFBERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049558235 519776182 /nfs/dbraw/zinc/77/61/82/519776182.db2.gz SKVYQHXZCBETIN-ZDUSSCGKSA-N 1 0 265.357 2.983 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049218748 519794085 /nfs/dbraw/zinc/79/40/85/519794085.db2.gz HTBSMKYAWABNGC-GFCCVEGCSA-N 1 0 296.327 2.501 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050516919 520001497 /nfs/dbraw/zinc/00/14/97/520001497.db2.gz FJZBTOAMIOMPMV-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(C)C)c1 ZINC000050517007 520001698 /nfs/dbraw/zinc/00/16/98/520001698.db2.gz FDXDQNCARXACQI-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO CCCCOCCOc1ccc(C[NH2+]CC)cc1[N+](=O)[O-] ZINC000049261446 520792278 /nfs/dbraw/zinc/79/22/78/520792278.db2.gz BSAYZJIFEZALGW-UHFFFAOYSA-N 1 0 296.367 2.900 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000311717277 521650062 /nfs/dbraw/zinc/65/00/62/521650062.db2.gz TXJDJNSSKGAGKZ-JTQLQIEISA-N 1 0 267.304 2.630 10 5 CFBERO COc1cc(C[NH3+])c([N+](=O)[O-])cc1OCCC(C)(C)C ZINC000049254142 522361695 /nfs/dbraw/zinc/36/16/95/522361695.db2.gz VUQBRCNGOLLCGM-UHFFFAOYSA-N 1 0 282.340 2.877 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000050792481 522645107 /nfs/dbraw/zinc/64/51/07/522645107.db2.gz OHZQCSWGHZKWAE-LLVKDONJSA-N 1 0 263.341 2.868 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1Oc1ccc(C[NH3+])cc1 ZINC000050505900 522986113 /nfs/dbraw/zinc/98/61/13/522986113.db2.gz QXODSZFMHKHYIW-UHFFFAOYSA-N 1 0 274.276 2.854 10 5 CFBERO CC[C@@H](O)COc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517319 523008046 /nfs/dbraw/zinc/00/80/46/523008046.db2.gz VQPHTKJRMPDPDN-GFCCVEGCSA-N 1 0 296.367 2.633 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000245429785 523321627 /nfs/dbraw/zinc/32/16/27/523321627.db2.gz NHPCKUGXXSKHAB-GJZGRUSLSA-N 1 0 289.379 2.653 10 5 CFBERO Cc1cc(C)c(OCCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000050441958 524310063 /nfs/dbraw/zinc/31/00/63/524310063.db2.gz RIEHHUHXNXKTBM-UHFFFAOYSA-N 1 0 264.325 2.733 10 5 CFBERO COc1ccccc1COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516110 524494612 /nfs/dbraw/zinc/49/46/12/524494612.db2.gz CXOQWKJHXMKKTI-UHFFFAOYSA-N 1 0 288.303 2.641 10 5 CFBERO C[C@@H](C[NH+]1CCCCC1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049501349 524608309 /nfs/dbraw/zinc/60/83/09/524608309.db2.gz SGQKZJVXZPOHDL-LBPRGKRZSA-N 1 0 295.358 2.698 10 5 CFBERO Cc1ccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000061701303 524954697 /nfs/dbraw/zinc/95/46/97/524954697.db2.gz YDQPHAHHZBNTGF-UONOGXRCSA-N 1 0 275.352 2.624 10 5 CFBERO Cc1cc(NC(=O)CCC[NH2+]C(C)C)c([N+](=O)[O-])cc1C ZINC000050439843 525122398 /nfs/dbraw/zinc/12/23/98/525122398.db2.gz ITYTYKUZAMXXOL-UHFFFAOYSA-N 1 0 293.367 2.928 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000061686085 525463054 /nfs/dbraw/zinc/46/30/54/525463054.db2.gz HEQWVYJPHFQMPD-ZWNOBZJWSA-N 1 0 266.341 2.765 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C[NH+](C)C)C(C)C ZINC000049219064 525571437 /nfs/dbraw/zinc/57/14/37/525571437.db2.gz XFJYXMROTBLOOP-CQSZACIVSA-N 1 0 265.357 2.901 10 5 CFBERO CSC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000069447620 525624417 /nfs/dbraw/zinc/62/44/17/525624417.db2.gz RFTCJKVHTINUEN-JTQLQIEISA-N 1 0 268.382 2.992 10 5 CFBERO CSC[C@H](C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000069447842 525680627 /nfs/dbraw/zinc/68/06/27/525680627.db2.gz WFKGEDHPZMKFBB-LLVKDONJSA-N 1 0 284.381 2.562 10 5 CFBERO [NH3+]C1CCC(Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055143785 527142788 /nfs/dbraw/zinc/14/27/88/527142788.db2.gz QJTVNWWBGILPNV-UHFFFAOYSA-N 1 0 252.339 2.957 10 5 CFBERO O=[N+]([O-])c1cc(F)cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063201485 527336489 /nfs/dbraw/zinc/33/64/89/527336489.db2.gz HVOXNKIXRIFWMV-HNNXBMFYSA-N 1 0 293.342 2.702 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160543612 527348706 /nfs/dbraw/zinc/34/87/06/527348706.db2.gz VWMBVUPKCKKCBM-UHFFFAOYSA-N 1 0 286.335 2.698 10 5 CFBERO C[C@@]1(CNc2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000261582132 618087462 /nfs/dbraw/zinc/08/74/62/618087462.db2.gz GNQWMLHJRSIUHO-CYBMUJFWSA-N 1 0 267.304 2.536 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000053255062 618279989 /nfs/dbraw/zinc/27/99/89/618279989.db2.gz XUJMKJDLHVSTQF-QMMMGPOBSA-N 1 0 289.257 2.778 10 5 CFBERO [NH3+]C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000236228639 618612885 /nfs/dbraw/zinc/61/28/85/618612885.db2.gz NACDTOVEGOSVIQ-LBPRGKRZSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+][C@@H]1CC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000310848513 618653624 /nfs/dbraw/zinc/65/36/24/618653624.db2.gz IRYVUXXMFUGVGC-DTWKUNHWSA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]C1(CNc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000261585383 619173311 /nfs/dbraw/zinc/17/33/11/619173311.db2.gz IJSIIRMDBYUTFA-UHFFFAOYSA-N 1 0 267.304 2.807 10 5 CFBERO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000044559495 622934161 /nfs/dbraw/zinc/93/41/61/622934161.db2.gz OIFHOXRFKUIXCO-SNVBAGLBSA-N 1 0 269.732 2.566 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000228551534 623148985 /nfs/dbraw/zinc/14/89/85/623148985.db2.gz HKPCBLADGHOREK-IRUJWGPZSA-N 1 0 295.770 2.812 10 5 CFBERO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201193 623332800 /nfs/dbraw/zinc/33/28/00/623332800.db2.gz NWLZSFLPYRTNMY-OAHLLOKOSA-N 1 0 275.352 2.563 10 5 CFBERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000089092094 650827854 /nfs/dbraw/zinc/82/78/54/650827854.db2.gz VOWNQFYCDFKATB-ZWNOBZJWSA-N 1 0 286.335 2.682 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cc1C ZINC000130061917 645449207 /nfs/dbraw/zinc/44/92/07/645449207.db2.gz NHITXSIUCMUCAC-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000130070094 645449392 /nfs/dbraw/zinc/44/93/92/645449392.db2.gz DCCDHTIDDJHEIB-UHFFFAOYSA-N 1 0 267.329 2.533 10 5 CFBERO C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253197045 651040128 /nfs/dbraw/zinc/04/01/28/651040128.db2.gz ULXTYARANXYSRM-VHSXEESVSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000300246003 647319526 /nfs/dbraw/zinc/31/95/26/647319526.db2.gz HQCLJQQCOJNWKM-QUBYGPBYSA-N 1 0 290.150 2.685 10 5 CFBERO CCC[NH2+]CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125196716 187174158 /nfs/dbraw/zinc/17/41/58/187174158.db2.gz UCEMUCLAQADWGE-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)(C)C)CC1 ZINC000113849731 347769572 /nfs/dbraw/zinc/76/95/72/347769572.db2.gz XBGPTMIFEIEJMD-UHFFFAOYSA-N 1 0 277.368 2.644 10 5 CFBERO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142546027 347934863 /nfs/dbraw/zinc/93/48/63/347934863.db2.gz QYONTZYOJSVPEE-SNVBAGLBSA-N 1 0 290.241 2.697 10 5 CFBERO C[C@H]([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235488696 348228270 /nfs/dbraw/zinc/22/82/70/348228270.db2.gz RKVSIFYBSVGNGM-YFKPBYRVSA-N 1 0 264.112 2.661 10 5 CFBERO CC(C)([NH3+])c1cc(Br)ccc1[N+](=O)[O-] ZINC000306323179 348386661 /nfs/dbraw/zinc/38/66/61/348386661.db2.gz ZHRUQNLVCHNTCA-UHFFFAOYSA-N 1 0 259.103 2.551 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000320517751 348436448 /nfs/dbraw/zinc/43/64/48/348436448.db2.gz MDSVUSVMIOHXGZ-JGVFFNPUSA-N 1 0 257.721 2.786 10 5 CFBERO COc1cc(NCCC[NH2+]C(C)C)c([N+](=O)[O-])cc1F ZINC000584770019 348713823 /nfs/dbraw/zinc/71/38/23/348713823.db2.gz KVSXVEZBOFUMSV-UHFFFAOYSA-N 1 0 285.319 2.543 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCOC2)ccc1Cl ZINC000108099415 186204854 /nfs/dbraw/zinc/20/48/54/186204854.db2.gz VZEZKDCYSBLZIH-LLVKDONJSA-N 1 0 284.743 2.764 10 5 CFBERO COC[C@H](C)C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109692549 186269173 /nfs/dbraw/zinc/26/91/73/186269173.db2.gz ULIHDWUKIRMBCU-SECBINFHSA-N 1 0 272.732 2.620 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000038050969 283556940 /nfs/dbraw/zinc/55/69/40/283556940.db2.gz KDJUMZMLWSSAMO-YPMHNXCESA-N 1 0 286.335 2.825 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000236240314 189832917 /nfs/dbraw/zinc/83/29/17/189832917.db2.gz ZKRFRMUOUIDJDG-PRHODGIISA-N 1 0 285.294 2.802 10 5 CFBERO [NH3+]CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013681034 372039039 /nfs/dbraw/zinc/03/90/39/372039039.db2.gz NSJVDMNNZOQWPO-UHFFFAOYSA-N 1 0 272.304 2.675 10 5 CFBERO CC[N+](C)(C(=O)[O-])c1cccc([C@H](C)[NH+](C)C)c1 ZINC000044830278 373010548 /nfs/dbraw/zinc/01/05/48/373010548.db2.gz XPQWZGUNGYAQED-CHPOKUKFSA-O 1 0 251.350 2.944 10 5 CFBERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050163786 373359697 /nfs/dbraw/zinc/35/96/97/373359697.db2.gz MEMKKUYTWWTBEF-NXEZZACHSA-N 1 0 267.304 2.534 10 5 CFBERO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050163785 373359944 /nfs/dbraw/zinc/35/99/44/373359944.db2.gz MEMKKUYTWWTBEF-VHSXEESVSA-N 1 0 267.304 2.534 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447887 374178241 /nfs/dbraw/zinc/17/82/41/374178241.db2.gz FWCJTELQNBBZDG-VIFPVBQESA-N 1 0 257.721 2.643 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C[NH3+])CC(C)C)c1 ZINC000094663335 375373134 /nfs/dbraw/zinc/37/31/34/375373134.db2.gz DHQTZXCSFCHBFD-NSHDSACASA-N 1 0 251.330 2.689 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000111830728 375872918 /nfs/dbraw/zinc/87/29/18/375872918.db2.gz IDJGYNHFNOIFSA-LLVKDONJSA-N 1 0 288.351 2.928 10 5 CFBERO Cc1cc(N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000133696476 377950342 /nfs/dbraw/zinc/95/03/42/377950342.db2.gz YDQQYAKCEJVILT-UHFFFAOYSA-N 1 0 289.379 2.872 10 5 CFBERO [NH3+][C@@H]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382472519 382530286 /nfs/dbraw/zinc/53/02/86/382530286.db2.gz QUJFQYMXDVBTRD-BDAKNGLRSA-N 1 0 269.732 2.930 10 5 CFBERO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000336839242 382730675 /nfs/dbraw/zinc/73/06/75/382730675.db2.gz OJZGZTZOEIKRIK-JTQLQIEISA-N 1 0 281.331 2.606 10 5 CFBERO C[NH2+]CCC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261816314 383565969 /nfs/dbraw/zinc/56/59/69/383565969.db2.gz SXUGBQRUVBQQEP-UHFFFAOYSA-N 1 0 281.331 2.560 10 5 CFBERO C[C@@H]1CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000282172195 385235834 /nfs/dbraw/zinc/23/58/34/385235834.db2.gz JJCVCZJCWGRIOX-NXEZZACHSA-N 1 0 284.381 2.950 10 5 CFBERO Cc1c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247154725 131101608 /nfs/dbraw/zinc/10/16/08/131101608.db2.gz KFSWXXVUYNZDDD-IUODEOHRSA-N 1 0 289.379 2.572 10 5 CFBERO Cc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000275461801 394046943 /nfs/dbraw/zinc/04/69/43/394046943.db2.gz MUMUTZPXNYFCSG-ZDUSSCGKSA-N 1 0 275.352 2.578 10 5 CFBERO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000238850482 397627449 /nfs/dbraw/zinc/62/74/49/397627449.db2.gz BVUNFAAOQWGVQX-IRXDYDNUSA-N 1 0 282.343 2.931 10 5 CFBERO [NH3+][C@@H]1CN(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795948 170869447 /nfs/dbraw/zinc/86/94/47/170869447.db2.gz LAZYAURLTNWSII-CQSZACIVSA-N 1 0 287.294 2.754 10 5 CFBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000020121664 171001092 /nfs/dbraw/zinc/00/10/92/171001092.db2.gz XTELGUKQBDRSOU-NSHDSACASA-N 1 0 257.293 2.841 10 5 CFBERO CC(C)[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020145977 171032011 /nfs/dbraw/zinc/03/20/11/171032011.db2.gz WAIKPJOBWOHQMF-DOMZBBRYSA-N 1 0 279.384 2.832 10 5 CFBERO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208889 171072925 /nfs/dbraw/zinc/07/29/25/171072925.db2.gz VGHCYRMVDNDIJV-GYSYKLTISA-N 1 0 264.325 2.813 10 5 CFBERO CCC[NH2+]CCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000020525421 171238061 /nfs/dbraw/zinc/23/80/61/171238061.db2.gz VZJJXYIESRQZOR-UHFFFAOYSA-N 1 0 252.314 2.672 10 5 CFBERO CCC[NH2+]CCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000020525012 171238271 /nfs/dbraw/zinc/23/82/71/171238271.db2.gz DLWAUOORKOZIQO-UHFFFAOYSA-N 1 0 252.314 2.672 10 5 CFBERO C=COCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526267 171239310 /nfs/dbraw/zinc/23/93/10/171239310.db2.gz UJCOGRLOLMLWIX-NSHDSACASA-N 1 0 250.298 2.796 10 5 CFBERO C[NH+](C)CCCCNc1ccnc2cccc([N+](=O)[O-])c21 ZINC000027525025 171519337 /nfs/dbraw/zinc/51/93/37/171519337.db2.gz OSWHQYWCZGPVLJ-UHFFFAOYSA-N 1 0 288.351 2.897 10 5 CFBERO CCCCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000035414608 172188482 /nfs/dbraw/zinc/18/84/82/172188482.db2.gz AYFNOBNCXKEOQM-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO C[C@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037291922 173096857 /nfs/dbraw/zinc/09/68/57/173096857.db2.gz ULMIMTHOIGRCNC-SECBINFHSA-N 1 0 250.254 2.502 10 5 CFBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000038043470 174050775 /nfs/dbraw/zinc/05/07/75/174050775.db2.gz GXZDTHJHFUULJP-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050622 174062315 /nfs/dbraw/zinc/06/23/15/174062315.db2.gz BAUNOVMIBMDHAI-VHSXEESVSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000038050626 174062373 /nfs/dbraw/zinc/06/23/73/174062373.db2.gz SMQUUABTMLCZOR-CMPLNLGQSA-N 1 0 269.732 2.930 10 5 CFBERO [NH3+]Cc1ccccc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000038081263 174090463 /nfs/dbraw/zinc/09/04/63/174090463.db2.gz LSWKNTIMCPGTNS-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000038082059 174091363 /nfs/dbraw/zinc/09/13/63/174091363.db2.gz RFCXLKVLFACXMF-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040502613 174298816 /nfs/dbraw/zinc/29/88/16/174298816.db2.gz RVAONPMLZDTITK-JSGCOSHPSA-N 1 0 277.368 2.730 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503200 174299746 /nfs/dbraw/zinc/29/97/46/174299746.db2.gz YFXUAVVNUMHANV-SNVBAGLBSA-N 1 0 267.304 2.630 10 5 CFBERO NC(=[NH2+])c1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043472996 175053769 /nfs/dbraw/zinc/05/37/69/175053769.db2.gz IHWDTSXQHZMBSJ-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO CCC[NH2+]CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473354 175053873 /nfs/dbraw/zinc/05/38/73/175053873.db2.gz XJBGAMBXKFCVRI-UHFFFAOYSA-N 1 0 256.277 2.502 10 5 CFBERO NC(=[NH2+])c1ccccc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000043472994 175053878 /nfs/dbraw/zinc/05/38/78/175053878.db2.gz SGLUGTDFQLLWPQ-UHFFFAOYSA-N 1 0 289.266 2.597 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1F ZINC000043499327 175058381 /nfs/dbraw/zinc/05/83/81/175058381.db2.gz VDSLDKWLMMVDOX-SNVBAGLBSA-N 1 0 268.288 2.645 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c2ncccc12 ZINC000044493481 175181308 /nfs/dbraw/zinc/18/13/08/175181308.db2.gz WUVOITASNTYJFT-NSHDSACASA-N 1 0 286.335 2.697 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000044493514 175181539 /nfs/dbraw/zinc/18/15/39/175181539.db2.gz SXPUWEPTLFMEPG-GFCCVEGCSA-N 1 0 286.335 2.697 10 5 CFBERO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535619 175198517 /nfs/dbraw/zinc/19/85/17/175198517.db2.gz RWVBWAMRSMDFPK-QWHCGFSZSA-N 1 0 277.368 2.587 10 5 CFBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561530 175204586 /nfs/dbraw/zinc/20/45/86/175204586.db2.gz SUVMMSBHPAYUCI-DOMZBBRYSA-N 1 0 277.368 2.730 10 5 CFBERO CC[NH+](CC)C[C@@H](C)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000044572430 175209887 /nfs/dbraw/zinc/20/98/87/175209887.db2.gz PAZYNWACOHTNNJ-LLVKDONJSA-N 1 0 281.356 2.746 10 5 CFBERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000079208960 177446405 /nfs/dbraw/zinc/44/64/05/177446405.db2.gz OVWIKAAQDSINRM-JTQLQIEISA-N 1 0 297.330 2.828 10 5 CFBERO C[C@H]([NH3+])C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000104127847 279394403 /nfs/dbraw/zinc/39/44/03/279394403.db2.gz AHBSLTPSCBZPQO-VIFPVBQESA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cccc(N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000232697524 281222652 /nfs/dbraw/zinc/22/26/52/281222652.db2.gz KPGMACTVLXLHKR-LBPRGKRZSA-N 1 0 265.357 2.713 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000261636006 295317001 /nfs/dbraw/zinc/31/70/01/295317001.db2.gz GNGDBCOQPNNJOK-HOSYDEDBSA-N 1 0 295.770 2.812 10 5 CFBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382494142 324429490 /nfs/dbraw/zinc/42/94/90/324429490.db2.gz IUOXWBMFWUUNGB-RKDXNWHRSA-N 1 0 269.732 2.788 10 5 CFBERO CCC[NH2+]CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471331 519918731 /nfs/dbraw/zinc/91/87/31/519918731.db2.gz IVMPIAYSNSSTFU-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050517139 519727211 /nfs/dbraw/zinc/72/72/11/519727211.db2.gz VHKJFSWDPPBUJY-UHFFFAOYSA-N 1 0 296.367 2.897 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050517053 519952032 /nfs/dbraw/zinc/95/20/32/519952032.db2.gz SKLYTOVHNKYTFZ-UHFFFAOYSA-N 1 0 296.367 2.898 10 5 CFBERO CCC[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000050619378 520067969 /nfs/dbraw/zinc/06/79/69/520067969.db2.gz GMHWLALQABXSMO-MRVPVSSYSA-N 1 0 294.286 2.845 10 5 CFBERO CCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000050818049 520320320 /nfs/dbraw/zinc/32/03/20/520320320.db2.gz VKSZCXHMNUZIIL-CQSZACIVSA-N 1 0 293.367 2.637 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC)CC1 ZINC000050813400 520330674 /nfs/dbraw/zinc/33/06/74/520330674.db2.gz HPDIVYHEPLGDQL-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CCOc1cc(N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156785813 520749163 /nfs/dbraw/zinc/74/91/63/520749163.db2.gz SEWGJRDZSHSSBZ-CYBMUJFWSA-N 1 0 295.383 2.803 10 5 CFBERO CCCN(c1cc(C)c([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000313052934 521697087 /nfs/dbraw/zinc/69/70/87/521697087.db2.gz HOKBCXFSCBPTKA-NSHDSACASA-N 1 0 281.331 2.621 10 5 CFBERO CC[C@H]([NH3+])CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000082579326 522331415 /nfs/dbraw/zinc/33/14/15/522331415.db2.gz JOLWATGFRQCKQF-QMMMGPOBSA-N 1 0 288.145 2.507 10 5 CFBERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048770789 522489947 /nfs/dbraw/zinc/48/99/47/522489947.db2.gz DQOCAZRLCWWOEQ-STQMWFEESA-N 1 0 278.352 2.924 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000050505297 522983743 /nfs/dbraw/zinc/98/37/43/522983743.db2.gz XLPPZZMMZBVXPC-NSHDSACASA-N 1 0 280.324 2.514 10 5 CFBERO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000050817019 523260867 /nfs/dbraw/zinc/26/08/67/523260867.db2.gz PFDKSXYHUDQKMB-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO CC[C@@](C)([NH3+])c1noc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000050017538 523645422 /nfs/dbraw/zinc/64/54/22/523645422.db2.gz HEYIAENSOSDXHS-GFCCVEGCSA-N 1 0 298.249 2.507 10 5 CFBERO CC[C@H](C)COc1ccc(C[NH2+]C)cc1[N+](=O)[O-] ZINC000050423615 523889174 /nfs/dbraw/zinc/88/91/74/523889174.db2.gz YULGKXGVRVMFKC-JTQLQIEISA-N 1 0 252.314 2.739 10 5 CFBERO C[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000157894152 524232581 /nfs/dbraw/zinc/23/25/81/524232581.db2.gz PNGHORGEUQHMDM-QMTHXVAHSA-N 1 0 297.786 2.807 10 5 CFBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000313274755 524456017 /nfs/dbraw/zinc/45/60/17/524456017.db2.gz BQSWQCDJPQOWAZ-JTQLQIEISA-N 1 0 274.324 2.682 10 5 CFBERO C[C@@H](C[NH+]1CCCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049503119 524610207 /nfs/dbraw/zinc/61/02/07/524610207.db2.gz HEPUKPFKHBYWNE-JTQLQIEISA-N 1 0 298.774 2.930 10 5 CFBERO Cc1cccc(OC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000055144165 524708966 /nfs/dbraw/zinc/70/89/66/524708966.db2.gz SMXAOJSZPCKXHT-UHFFFAOYSA-N 1 0 250.298 2.552 10 5 CFBERO Cc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701293 525316909 /nfs/dbraw/zinc/31/69/09/525316909.db2.gz USWGCGCCLKQLIK-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1ccc(N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000061700963 525319335 /nfs/dbraw/zinc/31/93/35/525319335.db2.gz FVGKZSFFBVQLNL-CYBMUJFWSA-N 1 0 265.357 2.901 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1Oc1cccc(C[NH3+])c1 ZINC000069330883 525472647 /nfs/dbraw/zinc/47/26/47/525472647.db2.gz KDMLHRKKGPCRRR-UHFFFAOYSA-N 1 0 274.276 2.854 10 5 CFBERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274037 525499604 /nfs/dbraw/zinc/49/96/04/525499604.db2.gz HCUGAXLBCJLPMJ-GMSGAONNSA-N 1 0 285.141 2.855 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCC1 ZINC000049184173 525570664 /nfs/dbraw/zinc/57/06/64/525570664.db2.gz WDXVYAXWWIKXDW-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051920140 526085970 /nfs/dbraw/zinc/08/59/70/526085970.db2.gz GWPHYKHQSCEYGQ-LBPRGKRZSA-N 1 0 264.325 2.672 10 5 CFBERO Cc1cnc(N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000155835452 526095587 /nfs/dbraw/zinc/09/55/87/526095587.db2.gz WTRRZSQSVDPJAN-LBPRGKRZSA-N 1 0 278.356 2.618 10 5 CFBERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000050943969 526547974 /nfs/dbraw/zinc/54/79/74/526547974.db2.gz BOIQPVVLXWKOIM-NSHDSACASA-N 1 0 295.314 2.595 10 5 CFBERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000050944564 526547991 /nfs/dbraw/zinc/54/79/91/526547991.db2.gz JDMFGRCTRJSCGR-JTQLQIEISA-N 1 0 295.314 2.595 10 5 CFBERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000089092095 527235330 /nfs/dbraw/zinc/23/53/30/527235330.db2.gz VOWNQFYCDFKATB-MFKMUULPSA-N 1 0 286.335 2.682 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000050443615 527332264 /nfs/dbraw/zinc/33/22/64/527332264.db2.gz UFJORGRONUSJBS-LBPRGKRZSA-N 1 0 284.743 2.907 10 5 CFBERO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050164084 618057137 /nfs/dbraw/zinc/05/71/37/618057137.db2.gz VTTJFBLKCQTLQA-VHSXEESVSA-N 1 0 267.304 2.534 10 5 CFBERO [NH3+]C1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000166401201 618110531 /nfs/dbraw/zinc/11/05/31/618110531.db2.gz SXGCTRJWEUSLDM-UHFFFAOYSA-N 1 0 286.335 2.825 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000213710875 618303242 /nfs/dbraw/zinc/30/32/42/618303242.db2.gz LUSCAINMTVDKQY-UHFFFAOYSA-N 1 0 297.355 2.541 10 5 CFBERO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236043479 618335419 /nfs/dbraw/zinc/33/54/19/618335419.db2.gz CPRIWZCEPQNWDH-SSDOTTSWSA-N 1 0 290.150 2.923 10 5 CFBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000236189297 618609813 /nfs/dbraw/zinc/60/98/13/618609813.db2.gz IKAYVTODJBMVGZ-UHFFFAOYSA-N 1 0 255.705 2.542 10 5 CFBERO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261572755 619171331 /nfs/dbraw/zinc/17/13/31/619171331.db2.gz UUAMRMMNRANXQQ-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO CCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000054267396 620383175 /nfs/dbraw/zinc/38/31/75/620383175.db2.gz LGAQUQIFKAAUNE-UHFFFAOYSA-N 1 0 257.721 2.660 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000229599412 623214502 /nfs/dbraw/zinc/21/45/02/623214502.db2.gz BLWRYEXEKNTLHK-GXFFZTMASA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230133980 623253673 /nfs/dbraw/zinc/25/36/73/623253673.db2.gz VRVCLZMKSOHMLG-ZMLRMANQSA-N 1 0 295.770 2.812 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000230134337 623254125 /nfs/dbraw/zinc/25/41/25/623254125.db2.gz HKPCBLADGHOREK-SUZMYJTESA-N 1 0 295.770 2.812 10 5 CFBERO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201192 623332486 /nfs/dbraw/zinc/33/24/86/623332486.db2.gz NWLZSFLPYRTNMY-HNNXBMFYSA-N 1 0 275.352 2.563 10 5 CFBERO C[C@H]([NH3+])CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730938 625996105 /nfs/dbraw/zinc/99/61/05/625996105.db2.gz GMKSHTMPZPCUKU-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO CC[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000125222880 642561942 /nfs/dbraw/zinc/56/19/42/642561942.db2.gz ILCGZWYYXVQTGG-KOLCDFICSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000089108998 650827772 /nfs/dbraw/zinc/82/77/72/650827772.db2.gz SRCKQSHGUAYKQO-KOLCDFICSA-N 1 0 267.304 2.663 10 5 CFBERO CCC([NH3+])(CC)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000130080154 645450022 /nfs/dbraw/zinc/45/00/22/645450022.db2.gz AQDCTPUCFPOKPL-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000131915121 645849543 /nfs/dbraw/zinc/84/95/43/645849543.db2.gz FQXDRRRUUFSMHG-QMMMGPOBSA-N 1 0 289.257 2.635 10 5 CFBERO COc1ccc([C@@H](O)c2ccccc2C[N+](C)(C)C)cc1 ZINC000001695875 717089471 /nfs/dbraw/zinc/08/94/71/717089471.db2.gz HXAZNYDOFVJEOB-GOSISDBHSA-N 1 0 286.395 2.983 10 5 CFBERO C[N+]1(C[C@@H](O)c2ccccc2)CCN(c2ccccc2)CC1 ZINC000207328940 717160793 /nfs/dbraw/zinc/16/07/93/717160793.db2.gz IXJXYRNNEVROFA-LJQANCHMSA-N 1 0 297.422 2.687 10 5 CFBERO CCOc1ccccc1C(=O)OCC[N+](C)(CC)CC ZINC000003598268 717095277 /nfs/dbraw/zinc/09/52/77/717095277.db2.gz OGQHADFBTDLWDT-UHFFFAOYSA-N 1 0 280.388 2.729 10 5 CFBERO CCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C ZINC000005649522 717100238 /nfs/dbraw/zinc/10/02/38/717100238.db2.gz RRHVFJHKBYCDFH-UHFFFAOYSA-N 1 0 265.377 2.896 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1NCC[C@@H]1CC[NH2+]C1 ZINC000125203591 187174982 /nfs/dbraw/zinc/17/49/82/187174982.db2.gz AVIPKDMKKJNYLE-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000125228842 187175226 /nfs/dbraw/zinc/17/52/26/187175226.db2.gz VMTHQJSSMZLYJS-MNOVXSKESA-N 1 0 281.743 2.579 10 5 CFBERO COc1cc(NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1C ZINC000596027268 349777735 /nfs/dbraw/zinc/77/77/35/349777735.db2.gz RGDOKJQBDQSQDO-LLVKDONJSA-N 1 0 281.356 2.697 10 5 CFBERO O=[N+]([O-])c1ccc2ccn(CC[NH+]3CCCC3)c2c1 ZINC000034562919 346318431 /nfs/dbraw/zinc/31/84/31/346318431.db2.gz KUQVEGWMUQDJFE-UHFFFAOYSA-N 1 0 259.309 2.645 10 5 CFBERO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098025220 185675950 /nfs/dbraw/zinc/67/59/50/185675950.db2.gz DFCKTKOLDKKOKR-JTQLQIEISA-N 1 0 294.742 2.623 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000085988257 179212995 /nfs/dbraw/zinc/21/29/95/179212995.db2.gz GXDPQGNRJFUTJA-BXUZGUMPSA-N 1 0 298.770 2.889 10 5 CFBERO CCC[C@@H]([NH2+]CC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000091424593 347584417 /nfs/dbraw/zinc/58/44/17/347584417.db2.gz XXNVPGGTGUBOCY-WDIPEOLASA-N 1 0 278.352 2.797 10 5 CFBERO C[NH+]1CCC(N2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000113851742 347769372 /nfs/dbraw/zinc/76/93/72/347769372.db2.gz ARWVOQRXKGVOBA-UHFFFAOYSA-N 1 0 289.379 2.787 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCCC[NH2+]1 ZINC000236048530 348231242 /nfs/dbraw/zinc/23/12/42/348231242.db2.gz MYWNTHHDDXNOJL-SECBINFHSA-N 1 0 269.732 2.802 10 5 CFBERO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000300405816 348367812 /nfs/dbraw/zinc/36/78/12/348367812.db2.gz YQBTVVABSAMXAC-XQQFMLRXSA-N 1 0 278.352 2.797 10 5 CFBERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000304453146 348380040 /nfs/dbraw/zinc/38/00/40/348380040.db2.gz POTYSGPPRFQYGT-LLVKDONJSA-N 1 0 296.392 2.504 10 5 CFBERO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313129867 348421955 /nfs/dbraw/zinc/42/19/55/348421955.db2.gz QDALYLOCJXCXIF-CMPLNLGQSA-N 1 0 281.331 2.606 10 5 CFBERO [NH3+]C[C@@]1(Cc2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000087931426 179525727 /nfs/dbraw/zinc/52/57/27/179525727.db2.gz TXFBZHCVHARTQO-KGLIPLIRSA-N 1 0 298.770 2.671 10 5 CFBERO [NH3+]CC1(Cc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000087931349 179525859 /nfs/dbraw/zinc/52/58/59/179525859.db2.gz XNKOHNABNOPDGV-UHFFFAOYSA-N 1 0 252.289 2.796 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000592468266 349125761 /nfs/dbraw/zinc/12/57/61/349125761.db2.gz DXKOFLMJGMOVJW-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NCCC2CC[NH2+]CC2)c1 ZINC000593233806 349232429 /nfs/dbraw/zinc/23/24/29/349232429.db2.gz VXYHGHBNDZXXOI-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CCn1cccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000091127604 180099490 /nfs/dbraw/zinc/09/94/90/180099490.db2.gz KYMGYVZQVFXKRW-UHFFFAOYSA-N 1 0 259.309 2.706 10 5 CFBERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000600954474 350636792 /nfs/dbraw/zinc/63/67/92/350636792.db2.gz DCTXUCKBRJPHEX-VHSXEESVSA-N 1 0 267.304 2.595 10 5 CFBERO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183122601 189347397 /nfs/dbraw/zinc/34/73/97/189347397.db2.gz WKEUIJPCLNUSAP-DOMZBBRYSA-N 1 0 294.351 2.521 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000093874543 375327756 /nfs/dbraw/zinc/32/77/56/375327756.db2.gz GKURCZYNHKXCEQ-UHFFFAOYSA-N 1 0 288.351 2.564 10 5 CFBERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000111830717 375872375 /nfs/dbraw/zinc/87/23/75/375872375.db2.gz LNZXSCPKRYSLFX-SECBINFHSA-N 1 0 255.293 2.519 10 5 CFBERO COc1cc(NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1F ZINC000129426455 377425282 /nfs/dbraw/zinc/42/52/82/377425282.db2.gz RSURCVGLRGBPSZ-UHFFFAOYSA-N 1 0 297.330 2.544 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000130536684 377572735 /nfs/dbraw/zinc/57/27/35/377572735.db2.gz XNNKGNROOXEDRQ-SNVBAGLBSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135667148 378154446 /nfs/dbraw/zinc/15/44/46/378154446.db2.gz QXYONIYJJBCSEY-GLQYFDAESA-N 1 0 278.352 2.939 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000301253482 382122425 /nfs/dbraw/zinc/12/24/25/382122425.db2.gz SLDJIAVGAIMQNK-ZDUSSCGKSA-N 1 0 275.352 2.578 10 5 CFBERO C[C@H]1CCC[N@H+](CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825099 382329069 /nfs/dbraw/zinc/32/90/69/382329069.db2.gz YEJKFXATKOAOQS-NSHDSACASA-N 1 0 281.331 2.878 10 5 CFBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000387567904 382599634 /nfs/dbraw/zinc/59/96/34/382599634.db2.gz MAYKOBQVXIRSQE-MRVPVSSYSA-N 1 0 257.721 2.658 10 5 CFBERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231673481 382866355 /nfs/dbraw/zinc/86/63/55/382866355.db2.gz DRGCQEMHIGDHGS-VXGBXAGGSA-N 1 0 264.325 2.882 10 5 CFBERO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000248199451 383219076 /nfs/dbraw/zinc/21/90/76/383219076.db2.gz YDTQRCDTWANFJR-CORIIIEPSA-N 1 0 278.352 2.857 10 5 CFBERO CCOc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000250632854 383378607 /nfs/dbraw/zinc/37/86/07/383378607.db2.gz NBPDIDSFCKAJHZ-RYUDHWBXSA-N 1 0 293.367 2.557 10 5 CFBERO C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261571418 383516240 /nfs/dbraw/zinc/51/62/40/383516240.db2.gz RANKNQXPFIQAFK-VHSXEESVSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000261591473 383523593 /nfs/dbraw/zinc/52/35/93/383523593.db2.gz VLJFOVOVZGKASG-BQBZGAKWSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248650732 393913007 /nfs/dbraw/zinc/91/30/07/393913007.db2.gz UTKHQMDKBTXVAC-CJNGLKHVSA-N 1 0 289.379 2.572 10 5 CFBERO CC[C@H](CC(N)=[NH2+])Sc1ccccc1[N+](=O)[O-] ZINC000035286779 172104945 /nfs/dbraw/zinc/10/49/45/172104945.db2.gz SCQWDDMGBWENTP-MRVPVSSYSA-N 1 0 253.327 2.792 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCCC[NH2+]C(C)C ZINC000035678386 172349163 /nfs/dbraw/zinc/34/91/63/172349163.db2.gz KLRUCEVODCLUEE-UHFFFAOYSA-N 1 0 252.314 2.670 10 5 CFBERO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000037259713 173070261 /nfs/dbraw/zinc/07/02/61/173070261.db2.gz CUSUSSWDRQLKQR-SSDOTTSWSA-N 1 0 256.252 2.761 10 5 CFBERO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037284829 173092050 /nfs/dbraw/zinc/09/20/50/173092050.db2.gz CHIDUWZPONAUIY-VIFPVBQESA-N 1 0 266.322 2.970 10 5 CFBERO Cc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000037321538 173122019 /nfs/dbraw/zinc/12/20/19/173122019.db2.gz VUVCIPSZVSXOHN-OAHLLOKOSA-N 1 0 293.411 2.969 10 5 CFBERO [NH3+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000038080314 174089949 /nfs/dbraw/zinc/08/99/49/174089949.db2.gz WSMNLGVCLMZQCJ-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[C@@H](CNc1ccc2scnc2c1[N+](=O)[O-])[NH+](C)C ZINC000038089162 174102616 /nfs/dbraw/zinc/10/26/16/174102616.db2.gz UJROCPXDAYOMOR-QMMMGPOBSA-N 1 0 280.353 2.567 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096089 174110417 /nfs/dbraw/zinc/11/04/17/174110417.db2.gz PASOHIXOLGPEAZ-LBPRGKRZSA-N 1 0 284.743 2.907 10 5 CFBERO O=[N+]([O-])c1ccccc1SCCC[NH2+]C1CC1 ZINC000042407729 174713329 /nfs/dbraw/zinc/71/33/29/174713329.db2.gz GQCGHAWPTOJPKT-UHFFFAOYSA-N 1 0 252.339 2.829 10 5 CFBERO COc1ccccc1COc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000043457090 175050126 /nfs/dbraw/zinc/05/01/26/175050126.db2.gz LDMGBMQBBHAGPP-UHFFFAOYSA-N 1 0 288.303 2.641 10 5 CFBERO COc1ccccc1COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000043457172 175050155 /nfs/dbraw/zinc/05/01/55/175050155.db2.gz GGGLIMUHOXHANQ-UHFFFAOYSA-N 1 0 288.303 2.641 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043472985 175053802 /nfs/dbraw/zinc/05/38/02/175053802.db2.gz WBJTZGUPPARTPP-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000043474134 175054358 /nfs/dbraw/zinc/05/43/58/175054358.db2.gz BCMVESMAPIFESI-BFVZDQMLSA-N 1 0 281.331 2.875 10 5 CFBERO O=[N+]([O-])c1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498203 175058178 /nfs/dbraw/zinc/05/81/78/175058178.db2.gz YYSRDNSDMVBAOH-UHFFFAOYSA-N 1 0 252.339 2.687 10 5 CFBERO CC[NH+](CC)CCC[C@H](C)Nc1cc([N+](=O)[O-])ccn1 ZINC000043567639 175067495 /nfs/dbraw/zinc/06/74/95/175067495.db2.gz KDGZRXFITREUNP-LBPRGKRZSA-N 1 0 280.372 2.912 10 5 CFBERO Cc1cc(NC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000044563169 175206816 /nfs/dbraw/zinc/20/68/16/175206816.db2.gz DUXOMPKNOURNIC-ZDUSSCGKSA-N 1 0 263.341 2.799 10 5 CFBERO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071189064 176064546 /nfs/dbraw/zinc/06/45/46/176064546.db2.gz JEOLEMDNASJFJT-LBPRGKRZSA-N 1 0 297.786 2.632 10 5 CFBERO CCN(C)C(=O)Oc1cccc([C@H](C)[N+](C)(C)C)c1 ZINC000077303349 177250588 /nfs/dbraw/zinc/25/05/88/177250588.db2.gz RVAKZJAYLAIWSI-LBPRGKRZSA-N 1 0 265.377 2.904 10 5 in-vitro CFBERO Cc1cc(NC(=O)CC[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000079192356 177442198 /nfs/dbraw/zinc/44/21/98/177442198.db2.gz JRFOGRSMDVQJOD-JTQLQIEISA-N 1 0 279.340 2.607 10 5 CFBERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079207529 177445913 /nfs/dbraw/zinc/44/59/13/177445913.db2.gz FEGXKLZXAAHTGG-NSHDSACASA-N 1 0 279.340 2.689 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000229611806 274632742 /nfs/dbraw/zinc/63/27/42/274632742.db2.gz FKRDICOEURXSHW-ZYHUDNBSSA-N 1 0 286.335 2.695 10 5 CFBERO CCOc1cccc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000252847150 276498669 /nfs/dbraw/zinc/49/86/69/276498669.db2.gz DAFMVVLKVSBSJO-NWDGAFQWSA-N 1 0 293.367 2.557 10 5 CFBERO CC[n+]1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000226777701 276656258 /nfs/dbraw/zinc/65/62/58/276656258.db2.gz VFYDSZSOAPURES-UHFFFAOYSA-N 1 0 270.268 2.710 10 5 CFBERO Cc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108793 280916584 /nfs/dbraw/zinc/91/65/84/280916584.db2.gz IZAUPQMRHOYXOQ-VXGBXAGGSA-N 1 0 263.341 2.833 10 5 CFBERO [NH3+]C[C@H]1CCCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044559490 303420016 /nfs/dbraw/zinc/42/00/16/303420016.db2.gz MFUKWTSZKWJGKM-SNVBAGLBSA-N 1 0 269.732 2.566 10 5 CFBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000387413015 324491159 /nfs/dbraw/zinc/49/11/59/324491159.db2.gz DBIALZQCOZILHI-SNVBAGLBSA-N 1 0 274.324 2.553 10 5 CFBERO CCC(C)(C)[N@H+](C)Cc1ccc(NN)c([N+](=O)[O-])c1 ZINC000069447329 521303815 /nfs/dbraw/zinc/30/38/15/521303815.db2.gz LTGWBWJHFKHVEM-UHFFFAOYSA-N 1 0 266.345 2.501 10 5 CFBERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000051015517 518768347 /nfs/dbraw/zinc/76/83/47/518768347.db2.gz XGWRQEOGRWYCIR-UHFFFAOYSA-N 1 0 288.351 2.728 10 5 CFBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOCC)c1 ZINC000050517066 519952988 /nfs/dbraw/zinc/95/29/88/519952988.db2.gz YAOCMLQSMLCZCM-UHFFFAOYSA-N 1 0 282.340 2.510 10 5 CFBERO CCNc1ccc(C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000050792245 520299492 /nfs/dbraw/zinc/29/94/92/520299492.db2.gz YAOFDFQXXUHAEB-UHFFFAOYSA-N 1 0 251.330 2.868 10 5 CFBERO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000050812578 521293568 /nfs/dbraw/zinc/29/35/68/521293568.db2.gz FMMYXVPUQCJNSX-UHFFFAOYSA-N 1 0 251.330 2.655 10 5 CFBERO CCOc1cccc(N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000312450608 521400400 /nfs/dbraw/zinc/40/04/00/521400400.db2.gz DEINAMBFBZPTCT-NSHDSACASA-N 1 0 281.356 2.923 10 5 CFBERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817009 522091638 /nfs/dbraw/zinc/09/16/38/522091638.db2.gz CIXJHIKIDULKEO-GFCCVEGCSA-N 1 0 295.383 2.883 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OC2CCCC2)c1 ZINC000050516879 522124351 /nfs/dbraw/zinc/12/43/51/522124351.db2.gz WNUAPUVVHXTTKI-UHFFFAOYSA-N 1 0 250.298 2.636 10 5 CFBERO C[NH2+][C@H]1CCCC[C@@H]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000048770817 522491030 /nfs/dbraw/zinc/49/10/30/522491030.db2.gz WRONDJIFVGSCIU-RISCZKNCSA-N 1 0 278.352 2.924 10 5 CFBERO CC[C@H]([NH2+]C)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441225 522557631 /nfs/dbraw/zinc/55/76/31/522557631.db2.gz YZGNPEOJYSLWNH-NSHDSACASA-N 1 0 276.296 2.624 10 5 CFBERO CNc1ccc(C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000050792150 522610331 /nfs/dbraw/zinc/61/03/31/522610331.db2.gz CJIPIQQFEVKQJB-UHFFFAOYSA-N 1 0 263.341 2.868 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000050813798 522644604 /nfs/dbraw/zinc/64/46/04/522644604.db2.gz VPHTVTHCJQLRDR-JTQLQIEISA-N 1 0 263.341 2.867 10 5 CFBERO COc1cc(N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000311689311 522760427 /nfs/dbraw/zinc/76/04/27/522760427.db2.gz KDULPMYBCQHAQM-JTQLQIEISA-N 1 0 267.329 2.533 10 5 CFBERO COc1ccc(C[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000061686214 524130663 /nfs/dbraw/zinc/13/06/63/524130663.db2.gz YNOKIYPJUKJZFG-PWSUYJOCSA-N 1 0 266.341 2.765 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000336832426 524140682 /nfs/dbraw/zinc/14/06/82/524140682.db2.gz FFNMXNOTMXXJQU-SNVBAGLBSA-N 1 0 274.324 2.682 10 5 CFBERO Cc1cc(C)c(Oc2ccc(C(N)=[NH2+])cn2)c([N+](=O)[O-])c1 ZINC000050441907 524312349 /nfs/dbraw/zinc/31/23/49/524312349.db2.gz GFHURHUGDAZUOA-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO C[C@H](C[NH+]1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049184145 524319808 /nfs/dbraw/zinc/31/98/08/524319808.db2.gz LEVUCMNPBNIGDH-SNVBAGLBSA-N 1 0 267.304 2.630 10 5 CFBERO C[C@H](C[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000049502100 524334925 /nfs/dbraw/zinc/33/49/25/524334925.db2.gz ASARDABOJXXWNB-GFCCVEGCSA-N 1 0 263.341 2.881 10 5 CFBERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274035 524853024 /nfs/dbraw/zinc/85/30/24/524853024.db2.gz HCUGAXLBCJLPMJ-XVKPBYJWSA-N 1 0 285.141 2.855 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157886817 524856564 /nfs/dbraw/zinc/85/65/64/524856564.db2.gz WHACKKYSTPJQLN-GXFFZTMASA-N 1 0 297.786 2.950 10 5 CFBERO Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000050940552 525036922 /nfs/dbraw/zinc/03/69/22/525036922.db2.gz DJEOYINNXDCVBG-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701033 525320615 /nfs/dbraw/zinc/32/06/15/525320615.db2.gz RPOSOAMZQVNUKA-LBPRGKRZSA-N 1 0 261.325 2.552 10 5 CFBERO Cc1cc([N+](=O)[O-])c(C)cc1OCC[NH2+]C(C)(C)C ZINC000062998200 525556990 /nfs/dbraw/zinc/55/69/90/525556990.db2.gz ZOXMLHDHVIMYFA-UHFFFAOYSA-N 1 0 266.341 2.979 10 5 CFBERO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000261575115 525702092 /nfs/dbraw/zinc/70/20/92/525702092.db2.gz JPBWVYPSBJQXMV-NKWVEPMBSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1c(N[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062724489 525874535 /nfs/dbraw/zinc/87/45/35/525874535.db2.gz ZRBUVTDGVXGUME-RYUDHWBXSA-N 1 0 263.341 2.703 10 5 CFBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000182602727 525922624 /nfs/dbraw/zinc/92/26/24/525922624.db2.gz JGLZUEYSGNRQFF-SMDDNHRTSA-N 1 0 290.319 2.880 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1ncc2c(n1)CCC[C@H]2[NH3+] ZINC000050441310 526068047 /nfs/dbraw/zinc/06/80/47/526068047.db2.gz DTSOHWIKDLYYFL-CYBMUJFWSA-N 1 0 284.319 2.696 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000050441162 526069427 /nfs/dbraw/zinc/06/94/27/526069427.db2.gz QAEJUKIWKCGBHS-LBPRGKRZSA-N 1 0 288.307 2.768 10 5 CFBERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000050942049 526565518 /nfs/dbraw/zinc/56/55/18/526565518.db2.gz SRLJUNRFFHVZQN-SNVBAGLBSA-N 1 0 295.314 2.595 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1OCC1CC[NH2+]CC1 ZINC000051869753 527322692 /nfs/dbraw/zinc/32/26/92/527322692.db2.gz IKHROIVWKCJHKF-UHFFFAOYSA-N 1 0 293.348 2.583 10 5 CFBERO O=[N+]([O-])c1ccc(CCOCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051917983 527346765 /nfs/dbraw/zinc/34/67/65/527346765.db2.gz NZDIOXVKVXJJMI-AWEZNQCLSA-N 1 0 278.352 2.544 10 5 CFBERO O=[N+]([O-])c1ccc(COCC[C@H]2CCC[NH2+]C2)cc1 ZINC000051917708 527352616 /nfs/dbraw/zinc/35/26/16/527352616.db2.gz DOAXOOHWRMIQQJ-GFCCVEGCSA-N 1 0 264.325 2.501 10 5 CFBERO O=[N+]([O-])c1ccccc1COCC[C@@H]1CCC[NH2+]C1 ZINC000051917888 527399978 /nfs/dbraw/zinc/39/99/78/527399978.db2.gz JSMBENAPUYDMBI-LBPRGKRZSA-N 1 0 264.325 2.501 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1c(C)cccc1[N+](=O)[O-] ZINC000158951342 528825082 /nfs/dbraw/zinc/82/50/82/528825082.db2.gz VFKKSXRAPFJELM-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261572754 618085681 /nfs/dbraw/zinc/08/56/81/618085681.db2.gz UUAMRMMNRANXQQ-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111690360 618162145 /nfs/dbraw/zinc/16/21/45/618162145.db2.gz HOMLPNINCYBCTP-CQSZACIVSA-N 1 0 276.336 2.704 10 5 CFBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000235367832 618251920 /nfs/dbraw/zinc/25/19/20/618251920.db2.gz HQCLJQQCOJNWKM-LDWIPMOCSA-N 1 0 290.150 2.685 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000104351984 618873449 /nfs/dbraw/zinc/87/34/49/618873449.db2.gz PHONFMXEGNMASC-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000262012388 619371216 /nfs/dbraw/zinc/37/12/16/619371216.db2.gz VEVWIPRVURDJLO-GFCCVEGCSA-N 1 0 297.786 2.822 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320488733 619893516 /nfs/dbraw/zinc/89/35/16/619893516.db2.gz HYBANCWYZKOLSM-SFYZADRCSA-N 1 0 257.721 2.786 10 5 CFBERO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040601910 620416975 /nfs/dbraw/zinc/41/69/75/620416975.db2.gz TXMWEMKOKNHEHP-SNVBAGLBSA-N 1 0 283.759 2.684 10 5 CFBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000041030334 620426806 /nfs/dbraw/zinc/42/68/06/620426806.db2.gz ASYJURREBSLZLR-MRVPVSSYSA-N 1 0 289.257 2.541 10 5 CFBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000229606686 623215144 /nfs/dbraw/zinc/21/51/44/623215144.db2.gz HNQQHASUQKSBSE-ZWNOBZJWSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171331 625279405 /nfs/dbraw/zinc/27/94/05/625279405.db2.gz PEBBMKPWJIVWDG-JTQLQIEISA-N 1 0 283.759 2.813 10 5 CFBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000122961461 639530255 /nfs/dbraw/zinc/53/02/55/639530255.db2.gz WWVDAQXZAVNXGB-CABZTGNLSA-N 1 0 283.759 2.812 10 5 CFBERO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000124123946 641847540 /nfs/dbraw/zinc/84/75/40/641847540.db2.gz CWVJKRDMYPHDBA-HZMBPMFUSA-N 1 0 297.786 2.630 10 5 CFBERO [NH3+]C1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000094078537 650951527 /nfs/dbraw/zinc/95/15/27/650951527.db2.gz IQNJROURGRBCIA-UHFFFAOYSA-N 1 0 269.732 2.930 10 5 CFBERO CC1(CNc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000129424762 645192465 /nfs/dbraw/zinc/19/24/65/645192465.db2.gz PDAFMINUCXBMGQ-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251901681 650997307 /nfs/dbraw/zinc/99/73/07/650997307.db2.gz WWVDAQXZAVNXGB-JOYOIKCWSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cc(NCC([NH3+])(CC)CC)ccc1[N+](=O)[O-] ZINC000133497895 646106414 /nfs/dbraw/zinc/10/64/14/646106414.db2.gz HVYGSJZRRPRMDO-UHFFFAOYSA-N 1 0 281.356 2.923 10 5 CFBERO CCCCc1cc(OC(=O)NC)ccc1[N+](C)(C)C ZINC000001998839 717091684 /nfs/dbraw/zinc/09/16/84/717091684.db2.gz QXLATDGTRMGYAB-UHFFFAOYSA-O 1 0 265.377 2.944 10 5 CFBERO CC[C@@H](c1cccc(OC(=O)NC)c1)[N+](C)(C)C ZINC000001998852 717092410 /nfs/dbraw/zinc/09/24/10/717092410.db2.gz OBZJLCBLBNCMRD-ZDUSSCGKSA-O 1 0 251.350 2.562 10 5 CFBERO CC(C)(C)c1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000057938626 717130593 /nfs/dbraw/zinc/13/05/93/717130593.db2.gz FUPFURLDFRVWSX-UHFFFAOYSA-N 1 0 259.417 2.630 10 5 CFBERO COc1cc(NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1F ZINC000596030253 349778608 /nfs/dbraw/zinc/77/86/08/349778608.db2.gz QJQXQTSIRSJHCN-SNVBAGLBSA-N 1 0 285.319 2.528 10 5 CFBERO C[NH+](C)CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000005849088 346212589 /nfs/dbraw/zinc/21/25/89/346212589.db2.gz CNVYMNPNBCYLNY-UHFFFAOYSA-N 1 0 274.324 2.507 10 5 CFBERO CCOc1ccc(N[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000086818451 179347429 /nfs/dbraw/zinc/34/74/29/179347429.db2.gz UOXKLJGGVBGXMC-GFCCVEGCSA-N 1 0 293.367 2.890 10 5 CFBERO CCOc1cccc(N2CC[C@@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000252866675 348298721 /nfs/dbraw/zinc/29/87/21/348298721.db2.gz MNXKNFNWVCGECW-VXGBXAGGSA-N 1 0 293.367 2.557 10 5 CFBERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000320442214 348436652 /nfs/dbraw/zinc/43/66/52/348436652.db2.gz ZYFBQGILPWDHNZ-RKDXNWHRSA-N 1 0 255.293 2.580 10 5 CFBERO C[C@@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129379951 187426857 /nfs/dbraw/zinc/42/68/57/187426857.db2.gz VNWBKKTVUOSIJZ-CYBMUJFWSA-N 1 0 267.304 2.536 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@H]([NH3+])C2)c1 ZINC000600959158 350637101 /nfs/dbraw/zinc/63/71/01/350637101.db2.gz RFYHNFKFERYNPJ-LBPRGKRZSA-N 1 0 263.341 2.611 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000051995391 299368022 /nfs/dbraw/zinc/36/80/22/299368022.db2.gz QMQHVVCERYEGDL-SUHUHFCYSA-N 1 0 264.325 2.549 10 5 CFBERO COc1cc(NC[C@]2(C)CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227861093 189788640 /nfs/dbraw/zinc/78/86/40/189788640.db2.gz QRLBVZADUZLAOL-CQSZACIVSA-N 1 0 297.330 2.544 10 5 CFBERO Cc1cccc(NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000235932229 189831755 /nfs/dbraw/zinc/83/17/55/189831755.db2.gz YXXFABRHFRTAAA-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000094663398 375372532 /nfs/dbraw/zinc/37/25/32/375372532.db2.gz PCRUCQBKBAKYHL-RYUDHWBXSA-N 1 0 263.341 2.833 10 5 CFBERO O=[N+]([O-])c1ccc2sc(NC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092061 375413245 /nfs/dbraw/zinc/41/32/45/375413245.db2.gz LYLNFGSVXBFXJZ-VIFPVBQESA-N 1 0 292.364 2.616 10 5 CFBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000104214317 375774558 /nfs/dbraw/zinc/77/45/58/375774558.db2.gz KRZZMWRNMOPJJO-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO CCC[NH2+]CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130589488 377580432 /nfs/dbraw/zinc/58/04/32/377580432.db2.gz CUORDRZBYFRXTA-UHFFFAOYSA-N 1 0 274.324 2.555 10 5 CFBERO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000130839726 377620000 /nfs/dbraw/zinc/62/00/00/377620000.db2.gz XEMHEPBKCDGEQE-CQSZACIVSA-N 1 0 263.341 2.914 10 5 CFBERO C[C@@H](CC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000336664056 380586475 /nfs/dbraw/zinc/58/64/75/380586475.db2.gz PANYGUVNSOMHHV-ZETCQYMHSA-N 1 0 288.145 2.507 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320990712 382539874 /nfs/dbraw/zinc/53/98/74/382539874.db2.gz YKYVFMLHJOVGDT-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320990710 382540044 /nfs/dbraw/zinc/54/00/44/382540044.db2.gz YKYVFMLHJOVGDT-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000236206181 382892411 /nfs/dbraw/zinc/89/24/11/382892411.db2.gz DVCFGMFJAZLUSX-KCJUWKMLSA-N 1 0 284.747 2.573 10 5 CFBERO CCOc1cc(N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320737844 322437309 /nfs/dbraw/zinc/43/73/09/322437309.db2.gz UJMRFKJDRFFRPY-NXEZZACHSA-N 1 0 267.329 2.531 10 5 CFBERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249614245 383353502 /nfs/dbraw/zinc/35/35/02/383353502.db2.gz ODKCITUNWCCQMA-TZMCWYRMSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000261591476 383523562 /nfs/dbraw/zinc/52/35/62/383523562.db2.gz VLJFOVOVZGKASG-RQJHMYQMSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261597163 383525258 /nfs/dbraw/zinc/52/52/58/383525258.db2.gz OUPDHOQHQNQIGU-UHFFFAOYSA-N 1 0 263.341 2.977 10 5 CFBERO C[C@H]1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000282141340 385224617 /nfs/dbraw/zinc/22/46/17/385224617.db2.gz GYTNCQXNMOCXJZ-RYUDHWBXSA-N 1 0 278.352 2.888 10 5 CFBERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251193239 393931130 /nfs/dbraw/zinc/93/11/30/393931130.db2.gz FOUQEIRDXNIRDK-SOUVJXGZSA-N 1 0 278.352 2.939 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc(C)cc1[N+](=O)[O-] ZINC000130547516 394113846 /nfs/dbraw/zinc/11/38/46/394113846.db2.gz BLYUOVKPOOSQFL-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO Cc1cccc(N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000232735432 397626381 /nfs/dbraw/zinc/62/63/81/397626381.db2.gz KPGMACTVLXLHKR-GFCCVEGCSA-N 1 0 265.357 2.713 10 5 CFBERO C=COCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020197805 171061777 /nfs/dbraw/zinc/06/17/77/171061777.db2.gz CXCRLWOXCMOMAJ-NSHDSACASA-N 1 0 250.298 2.796 10 5 CFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000029577316 171605192 /nfs/dbraw/zinc/60/51/92/171605192.db2.gz JYZJEIHCYWOLQM-NEPJUHHUSA-N 1 0 293.367 2.864 10 5 CFBERO CC[NH2+]Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000036281258 172571881 /nfs/dbraw/zinc/57/18/81/172571881.db2.gz KKEUEWCGEMEGTA-UHFFFAOYSA-N 1 0 289.291 2.550 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037165459 173000153 /nfs/dbraw/zinc/00/01/53/173000153.db2.gz RWQULQGGMJDZQJ-JQWIXIFHSA-N 1 0 284.743 2.641 10 5 CFBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503282 174300160 /nfs/dbraw/zinc/30/01/60/174300160.db2.gz XVSSCIKFGDHDCP-GFCCVEGCSA-N 1 0 263.341 2.799 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503281 174300172 /nfs/dbraw/zinc/30/01/72/174300172.db2.gz XVSSCIKFGDHDCP-LBPRGKRZSA-N 1 0 263.341 2.799 10 5 CFBERO C[C@H]1CCC[C@](CNCc2ccc([N+](=O)[O-])o2)([NH+](C)C)C1 ZINC000040668839 174367635 /nfs/dbraw/zinc/36/76/35/174367635.db2.gz OKTQCFYKRQROIJ-WFASDCNBSA-N 1 0 295.383 2.788 10 5 CFBERO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535621 175198543 /nfs/dbraw/zinc/19/85/43/175198543.db2.gz RWVBWAMRSMDFPK-CHWSQXEVSA-N 1 0 277.368 2.587 10 5 CFBERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562111 175206038 /nfs/dbraw/zinc/20/60/38/175206038.db2.gz PUMOSRNLICJBJO-CHWSQXEVSA-N 1 0 277.368 2.730 10 5 CFBERO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045085222 175303612 /nfs/dbraw/zinc/30/36/12/175303612.db2.gz FQQCCQOPALPOGV-CQSZACIVSA-N 1 0 291.351 2.760 10 5 CFBERO [NH3+]C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000037409002 274943792 /nfs/dbraw/zinc/94/37/92/274943792.db2.gz HMFBJWWLZLTJAO-UHFFFAOYSA-N 1 0 289.257 2.541 10 5 CFBERO CCOc1cccc(N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000135060010 276380722 /nfs/dbraw/zinc/38/07/22/276380722.db2.gz RUPOKYQEGBJFDR-LBPRGKRZSA-N 1 0 295.383 2.803 10 5 CFBERO C[NH2+]CC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000125197418 277265054 /nfs/dbraw/zinc/26/50/54/277265054.db2.gz RLXDOKGAIRTDPF-UHFFFAOYSA-N 1 0 283.759 2.684 10 5 CFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125209335 278317722 /nfs/dbraw/zinc/31/77/22/278317722.db2.gz AGHBADNHNXLLEF-ZJUUUORDSA-N 1 0 283.759 2.812 10 5 CFBERO CC[N+](C)(C(=O)[O-])c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000044830275 281354289 /nfs/dbraw/zinc/35/42/89/281354289.db2.gz XPQWZGUNGYAQED-ZVDHGWRTSA-O 1 0 251.350 2.944 10 5 CFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070174931 289780359 /nfs/dbraw/zinc/78/03/59/289780359.db2.gz DYLBSBBAGFPZMP-VHSXEESVSA-N 1 0 283.759 2.812 10 5 CFBERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000382420780 324428198 /nfs/dbraw/zinc/42/81/98/324428198.db2.gz KBNRVEJUILYROX-UWVGGRQHSA-N 1 0 267.304 2.582 10 5 CFBERO CCC[NH2+]CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441957 519918342 /nfs/dbraw/zinc/91/83/42/519918342.db2.gz BVSOIXNYOZMHAU-UHFFFAOYSA-N 1 0 252.314 2.590 10 5 CFBERO CCC[NH2+]CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625556 519918537 /nfs/dbraw/zinc/91/85/37/519918537.db2.gz JDQNYSZXLQSSND-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CCC[C@H](C)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813976 521037190 /nfs/dbraw/zinc/03/71/90/521037190.db2.gz FJDHIWIDDVPUFD-JTQLQIEISA-N 1 0 251.330 2.797 10 5 CFBERO Cc1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000051360493 518189183 /nfs/dbraw/zinc/18/91/83/518189183.db2.gz HORBZEPGKJYWDC-STQMWFEESA-N 1 0 275.352 2.624 10 5 CFBERO CC(C)([NH3+])CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000168401458 519300782 /nfs/dbraw/zinc/30/07/82/519300782.db2.gz KSMLNBIQOZTAKV-UHFFFAOYSA-N 1 0 288.145 2.507 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049219034 519814912 /nfs/dbraw/zinc/81/49/12/519814912.db2.gz SIXDIQPCZYXJAL-ZDUSSCGKSA-N 1 0 269.320 2.732 10 5 CFBERO CCOCCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517152 520040206 /nfs/dbraw/zinc/04/02/06/520040206.db2.gz HWROJBFVSQPHNF-UHFFFAOYSA-N 1 0 282.340 2.508 10 5 CFBERO CC[NH2+][C@H](C)c1nnc(-c2cccc(C)c2[N+](=O)[O-])o1 ZINC000050618756 520183557 /nfs/dbraw/zinc/18/35/57/520183557.db2.gz MYKOBZZWTDWTBH-SECBINFHSA-N 1 0 276.296 2.624 10 5 CFBERO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050817962 520274231 /nfs/dbraw/zinc/27/42/31/520274231.db2.gz OEFKXYCEBBOKEG-CYBMUJFWSA-N 1 0 293.367 2.568 10 5 CFBERO CCCO[C@H]1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050817963 520284991 /nfs/dbraw/zinc/28/49/91/520284991.db2.gz OEFKXYCEBBOKEG-ZDUSSCGKSA-N 1 0 293.367 2.568 10 5 CFBERO CCNc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813311 520299475 /nfs/dbraw/zinc/29/94/75/520299475.db2.gz QMEURIJYQNXSDI-LBPRGKRZSA-N 1 0 295.408 2.964 10 5 CFBERO CCO[C@H]1CCC[N@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000050818048 520526857 /nfs/dbraw/zinc/52/68/57/520526857.db2.gz KCNUHSFGXNXGFT-ZDUSSCGKSA-N 1 0 293.367 2.637 10 5 CFBERO CCOc1cc(N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000311895897 520764182 /nfs/dbraw/zinc/76/41/82/520764182.db2.gz FAHXJVFRPPXWHX-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO CC[N@H+](Cc1ccncc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815594 521422109 /nfs/dbraw/zinc/42/21/09/521422109.db2.gz UWONRPUWMCLDAC-UHFFFAOYSA-N 1 0 286.335 2.594 10 5 CFBERO CC[C@@H](C)C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813212 521970578 /nfs/dbraw/zinc/97/05/78/521970578.db2.gz DMIMWUYEFHPSDU-SNVBAGLBSA-N 1 0 251.330 2.655 10 5 CFBERO C[NH2+]C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000051867378 522031668 /nfs/dbraw/zinc/03/16/68/522031668.db2.gz HOTZWKRELACWSK-SSDOTTSWSA-N 1 0 278.230 2.600 10 5 CFBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCC(C)C)c1 ZINC000050516662 522124699 /nfs/dbraw/zinc/12/46/99/522124699.db2.gz WLXXNZFFTDYBCO-UHFFFAOYSA-N 1 0 252.314 2.739 10 5 CFBERO C[NH2+]Cc1cnc(-c2cc([N+](=O)[O-])ccc2C)s1 ZINC000050441281 522146395 /nfs/dbraw/zinc/14/63/95/522146395.db2.gz WIUKWHLEQGDBQV-UHFFFAOYSA-N 1 0 263.322 2.746 10 5 CFBERO C[NH2+][C@H]1CCCC[C@H]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000048770821 522489841 /nfs/dbraw/zinc/48/98/41/522489841.db2.gz WRONDJIFVGSCIU-FZMZJTMJSA-N 1 0 278.352 2.924 10 5 CFBERO CNc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000050813793 522606258 /nfs/dbraw/zinc/60/62/58/522606258.db2.gz LSLGMNYINNVWLW-SNVBAGLBSA-N 1 0 263.341 2.867 10 5 CFBERO CNc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815065 522607131 /nfs/dbraw/zinc/60/71/31/522607131.db2.gz PZCSFKQEZNDMCA-ZDUSSCGKSA-N 1 0 293.367 2.637 10 5 CFBERO COc1cc(N[C@H](C[NH3+])CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000227860309 522764295 /nfs/dbraw/zinc/76/42/95/522764295.db2.gz CZKYMYHFPLQOKC-VIFPVBQESA-N 1 0 285.319 2.528 10 5 CFBERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444046 523634086 /nfs/dbraw/zinc/63/40/86/523634086.db2.gz GKWZUNGOMJHUGA-WCQYABFASA-N 1 0 284.743 2.905 10 5 CFBERO C[C@H](CC[NH+](C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443881 524164861 /nfs/dbraw/zinc/16/48/61/524164861.db2.gz DLMKVDDAAOCRKX-SNVBAGLBSA-N 1 0 285.775 2.678 10 5 CFBERO C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163843664 524293093 /nfs/dbraw/zinc/29/30/93/524293093.db2.gz VCUFKGJAHIBWBI-JQWIXIFHSA-N 1 0 297.786 2.665 10 5 CFBERO Cc1cc(C)c(Oc2ccnc(C(N)=[NH2+])c2)c([N+](=O)[O-])c1 ZINC000061814658 524311805 /nfs/dbraw/zinc/31/18/05/524311805.db2.gz IPBGVHIIOXVZQV-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO C[C@H](C[NH+]1CCCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443724 524317168 /nfs/dbraw/zinc/31/71/68/524317168.db2.gz PXBMVKFORSUWKY-LLVKDONJSA-N 1 0 297.786 2.822 10 5 CFBERO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150020 524319948 /nfs/dbraw/zinc/31/99/48/524319948.db2.gz UKBPARGUKZEKQA-CHWSQXEVSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150014 524595947 /nfs/dbraw/zinc/59/59/47/524595947.db2.gz UKBPARGUKZEKQA-STQMWFEESA-N 1 0 277.368 2.730 10 5 CFBERO Cc1cc(NC(=O)CCCCC[NH3+])c([N+](=O)[O-])cc1C ZINC000050439825 525123006 /nfs/dbraw/zinc/12/30/06/525123006.db2.gz SMZSRYXEDCFTSH-UHFFFAOYSA-N 1 0 279.340 2.669 10 5 CFBERO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)c([N+](=O)[O-])cc1C ZINC000050439839 525229985 /nfs/dbraw/zinc/22/99/85/525229985.db2.gz AGBKSZPVPBLZRE-LLVKDONJSA-N 1 0 279.340 2.524 10 5 CFBERO Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000049219090 525294824 /nfs/dbraw/zinc/29/48/24/525294824.db2.gz CAXLLKLUITXHAD-ZDUSSCGKSA-N 1 0 265.357 2.901 10 5 CFBERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814430 525639501 /nfs/dbraw/zinc/63/95/01/525639501.db2.gz BBLVSMFEYRNQKN-WDEREUQCSA-N 1 0 263.341 2.797 10 5 CFBERO CSC[C@H](C)C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000069443669 525681603 /nfs/dbraw/zinc/68/16/03/525681603.db2.gz SMDWSZUXJKELAG-SECBINFHSA-N 1 0 272.345 2.823 10 5 CFBERO Cc1c(C[NH2+][C@H](CC(C)C)CN(C)C)cccc1[N+](=O)[O-] ZINC000049555704 525728452 /nfs/dbraw/zinc/72/84/52/525728452.db2.gz JUFSUQYBFICFGB-OAHLLOKOSA-N 1 0 293.411 2.969 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000051581208 526013920 /nfs/dbraw/zinc/01/39/20/526013920.db2.gz HDQKRUVZWIETPT-UHFFFAOYSA-N 1 0 271.276 2.980 10 5 CFBERO NC(=[NH2+])c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC000061814659 526822164 /nfs/dbraw/zinc/82/21/64/526822164.db2.gz NGFKJOAZEMBPHK-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1COC1CC[NH2+]CC1 ZINC000050444259 527334305 /nfs/dbraw/zinc/33/43/05/527334305.db2.gz HAZVQPBSRFYVMQ-UHFFFAOYSA-N 1 0 270.716 2.517 10 5 CFBERO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000050892324 527335606 /nfs/dbraw/zinc/33/56/06/527335606.db2.gz CAIFSUCWENASFU-HNNXBMFYSA-N 1 0 284.315 2.772 10 5 CFBERO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000052762375 527349617 /nfs/dbraw/zinc/34/96/17/527349617.db2.gz RSGUZVJEKRHEGA-GFCCVEGCSA-N 1 0 298.770 2.985 10 5 CFBERO [NH3+][C@H]1CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063177132 527407325 /nfs/dbraw/zinc/40/73/25/527407325.db2.gz QRTUSQDFLGZZOZ-DTWKUNHWSA-N 1 0 255.705 2.540 10 5 CFBERO [NH3+][C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000063177545 527407778 /nfs/dbraw/zinc/40/77/78/527407778.db2.gz HJLRYWVAXMLLLX-GXSJLCMTSA-N 1 0 289.257 2.905 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261794443 618106577 /nfs/dbraw/zinc/10/65/77/618106577.db2.gz GLHZYEAHAICLQN-NSHDSACASA-N 1 0 283.759 2.561 10 5 CFBERO [NH3+][C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236298218 618616170 /nfs/dbraw/zinc/61/61/70/618616170.db2.gz RUQYFGDBZDUEIT-SSDOTTSWSA-N 1 0 290.150 2.829 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093211856 618990045 /nfs/dbraw/zinc/99/00/45/618990045.db2.gz CYVDZRTXDOJADF-NXEZZACHSA-N 1 0 269.732 2.930 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320488731 619894093 /nfs/dbraw/zinc/89/40/93/619894093.db2.gz HYBANCWYZKOLSM-HTQZYQBOSA-N 1 0 257.721 2.786 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000262574240 620011283 /nfs/dbraw/zinc/01/12/83/620011283.db2.gz XVUMNPFSWBABLE-CQSZACIVSA-N 1 0 298.346 2.597 10 5 CFBERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070175025 625279425 /nfs/dbraw/zinc/27/94/25/625279425.db2.gz SKXDCLAZULMWRU-UWVGGRQHSA-N 1 0 283.759 2.812 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NCC[C@H]1CC[NH2+]C1 ZINC000130593042 645530888 /nfs/dbraw/zinc/53/08/88/645530888.db2.gz QXIHNADKCRKLIT-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO CNC(=O)Oc1cc([N+](C)(C)C)ccc1C(C)C ZINC000001998865 717092030 /nfs/dbraw/zinc/09/20/30/717092030.db2.gz GFWUARNLQZQRKT-UHFFFAOYSA-O 1 0 251.350 2.725 10 5 CFBERO CC[C@H](c1cccc(OC(=O)NC)c1)[N+](C)(C)C ZINC000001998853 717092072 /nfs/dbraw/zinc/09/20/72/717092072.db2.gz OBZJLCBLBNCMRD-CYBMUJFWSA-O 1 0 251.350 2.562 10 5 CFBERO CC[C@@H](COC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811869 185115202 /nfs/dbraw/zinc/11/52/02/185115202.db2.gz QCWWADKTYUOHJQ-JTQLQIEISA-N 1 0 272.732 2.763 10 5 CFBERO COc1cc(NCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1C ZINC000596026330 349778006 /nfs/dbraw/zinc/77/80/06/349778006.db2.gz HKTKMVUGGADHLQ-UHFFFAOYSA-N 1 0 279.340 2.595 10 5 CFBERO C[C@@H]([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235178884 348225109 /nfs/dbraw/zinc/22/51/09/348225109.db2.gz RKVSIFYBSVGNGM-RXMQYKEDSA-N 1 0 264.112 2.661 10 5 CFBERO O=[N+]([O-])[C@]12Cc3ccccc3[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225904525 348180647 /nfs/dbraw/zinc/18/06/47/348180647.db2.gz YHOPNRSCFKLSMQ-ROUUACIJSA-N 1 0 294.354 2.858 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000321000596 348437561 /nfs/dbraw/zinc/43/75/61/348437561.db2.gz ZNMKPFXBJJVDHI-VHSXEESVSA-N 1 0 274.324 2.681 10 5 CFBERO COc1cc(Oc2ccc(CC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000087881857 179509103 /nfs/dbraw/zinc/50/91/03/179509103.db2.gz AWSROKYOWCZRMA-UHFFFAOYSA-N 1 0 288.303 2.897 10 5 CFBERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000592468268 349125998 /nfs/dbraw/zinc/12/59/98/349125998.db2.gz DXKOFLMJGMOVJW-ZJUUUORDSA-N 1 0 274.324 2.681 10 5 CFBERO COc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110625417 186306546 /nfs/dbraw/zinc/30/65/46/186306546.db2.gz SHGCKWMZBVCEHQ-NXEZZACHSA-N 1 0 297.330 2.543 10 5 CFBERO [NH2+]=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCCC1 ZINC000184814615 189396429 /nfs/dbraw/zinc/39/64/29/189396429.db2.gz JBUDLISKGAGGPF-UHFFFAOYSA-N 1 0 296.758 2.805 10 5 CFBERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068543 374990070 /nfs/dbraw/zinc/99/00/70/374990070.db2.gz UBYFSHQXXQFFHK-RISCZKNCSA-N 1 0 293.367 2.550 10 5 CFBERO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000090537742 375019761 /nfs/dbraw/zinc/01/97/61/375019761.db2.gz SFWFKAKYAOUKEH-CYBMUJFWSA-N 1 0 288.351 2.759 10 5 CFBERO O=[N+]([O-])c1ccc2oc(OCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092044 375411329 /nfs/dbraw/zinc/41/13/29/375411329.db2.gz HQAOTRXJKXSXCN-JTQLQIEISA-N 1 0 291.307 2.505 10 5 CFBERO Cc1ccc(NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000129356931 377415068 /nfs/dbraw/zinc/41/50/68/377415068.db2.gz LTXAANAQTZTJTQ-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccc(C(N)=[NH2+])c(Oc2cccc(C)c2[N+](=O)[O-])n1 ZINC000043401658 184557258 /nfs/dbraw/zinc/55/72/58/184557258.db2.gz VQDYAHDLFVSMAT-UHFFFAOYSA-N 1 0 286.291 2.683 10 5 CFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246751645 383100336 /nfs/dbraw/zinc/10/03/36/383100336.db2.gz SENDFOFZFVGNMS-ZDUSSCGKSA-N 1 0 295.770 2.528 10 5 CFBERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249614721 383353493 /nfs/dbraw/zinc/35/34/93/383353493.db2.gz RVAONPMLZDTITK-OCCSQVGLSA-N 1 0 277.368 2.730 10 5 CFBERO COc1cc(NCC2([NH3+])CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000261666566 383539536 /nfs/dbraw/zinc/53/95/36/383539536.db2.gz KYYGCWQWRYMFOP-UHFFFAOYSA-N 1 0 297.330 2.816 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000081775826 177858162 /nfs/dbraw/zinc/85/81/62/177858162.db2.gz QXOXIUCLHHXTON-NEPJUHHUSA-N 1 0 252.339 2.957 10 5 CFBERO O=[N+]([O-])c1ccc2sc(SC[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092258 184941312 /nfs/dbraw/zinc/94/13/12/184941312.db2.gz MODMFBDDDMYCMG-QMMMGPOBSA-N 1 0 295.389 2.906 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1cccc(C)c1[N+](=O)[O-] ZINC000232989152 393782910 /nfs/dbraw/zinc/78/29/10/393782910.db2.gz SXNBLERBUUSBTO-NSHDSACASA-N 1 0 251.330 2.833 10 5 CFBERO CC[NH2+]CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524944 171237774 /nfs/dbraw/zinc/23/77/74/171237774.db2.gz OYMMUWWQUHVTPL-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CC(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524998 171238071 /nfs/dbraw/zinc/23/80/71/171238071.db2.gz WRMKBDGOJVJUBK-UHFFFAOYSA-N 1 0 258.705 2.625 10 5 CFBERO C[C@H](NCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526189 171239037 /nfs/dbraw/zinc/23/90/37/171239037.db2.gz YBZSHJRNCTZJDD-ZDUSSCGKSA-N 1 0 277.368 2.731 10 5 CFBERO Cc1ccc2c(NCCC[NH+](C)C)ccnc2c1[N+](=O)[O-] ZINC000027524618 171519328 /nfs/dbraw/zinc/51/93/28/171519328.db2.gz ANQSLVUDENKZAT-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO CCCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC ZINC000035414680 172188287 /nfs/dbraw/zinc/18/82/87/172188287.db2.gz QHUIVBOFXRYKKY-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO CC[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386456 173169862 /nfs/dbraw/zinc/16/98/62/173169862.db2.gz HJUIFDZDHQGFKX-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CC[C@@H](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)[NH3+] ZINC000038004376 173966551 /nfs/dbraw/zinc/96/65/51/173966551.db2.gz UOKJBOHZWUJIAH-UWVGGRQHSA-N 1 0 252.314 2.519 10 5 CFBERO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000038029327 174019500 /nfs/dbraw/zinc/01/95/00/174019500.db2.gz DYFSWQKPFBIVFC-GFCCVEGCSA-N 1 0 263.341 2.881 10 5 CFBERO CC[NH2+]CCCNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000038043436 174049949 /nfs/dbraw/zinc/04/99/49/174049949.db2.gz XCDOWHWGAMJSCX-UHFFFAOYSA-N 1 0 294.380 2.924 10 5 CFBERO [NH3+]Cc1cc(F)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080679 174090528 /nfs/dbraw/zinc/09/05/28/174090528.db2.gz GKGZGORCHAZNRQ-UHFFFAOYSA-N 1 0 262.240 2.985 10 5 CFBERO C[NH2+][C@@H](Cc1ccsc1)c1ccc([N+](=O)[O-])o1 ZINC000038130923 174131576 /nfs/dbraw/zinc/13/15/76/174131576.db2.gz KYANCCAVNIJQAU-VIFPVBQESA-N 1 0 252.295 2.753 10 5 CFBERO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000038128889 174131676 /nfs/dbraw/zinc/13/16/76/174131676.db2.gz OKKQWEWCKHLOEK-AWEZNQCLSA-N 1 0 260.268 2.976 10 5 CFBERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502586 174299165 /nfs/dbraw/zinc/29/91/65/174299165.db2.gz ZSWVFMJHDOXKLH-QWHCGFSZSA-N 1 0 277.368 2.730 10 5 CFBERO CCN(c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748724 174393559 /nfs/dbraw/zinc/39/35/59/174393559.db2.gz KKMCPHQJJZJQHU-FUNVUKJBSA-N 1 0 275.352 2.704 10 5 CFBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000040750495 174395580 /nfs/dbraw/zinc/39/55/80/174395580.db2.gz PDNUBQYQUOLEHZ-PBINXNQUSA-N 1 0 281.743 2.707 10 5 CFBERO Cc1sc(CC[NH3+])nc1-c1cccc([N+](=O)[O-])c1 ZINC000041201908 174509866 /nfs/dbraw/zinc/50/98/66/174509866.db2.gz VDJFBRSGOOJIFD-UHFFFAOYSA-N 1 0 263.322 2.528 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000043494715 175057806 /nfs/dbraw/zinc/05/78/06/175057806.db2.gz QIYGPJKGYQGZKI-VIFPVBQESA-N 1 0 270.716 2.769 10 5 CFBERO C[C@H]1CCC[C@](CNc2cc([N+](=O)[O-])ccn2)([NH+](C)C)C1 ZINC000043567992 175067282 /nfs/dbraw/zinc/06/72/82/175067282.db2.gz WKVPELPBYFNBFD-WFASDCNBSA-N 1 0 292.383 2.912 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000043652731 175085384 /nfs/dbraw/zinc/08/53/84/175085384.db2.gz KLNFZQKGOPXDMH-MJVIPROJSA-N 1 0 278.352 2.909 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000043652730 175085502 /nfs/dbraw/zinc/08/55/02/175085502.db2.gz KLNFZQKGOPXDMH-SUNKGSAMSA-N 1 0 278.352 2.909 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c2cccnc21 ZINC000044493436 175181497 /nfs/dbraw/zinc/18/14/97/175181497.db2.gz RGJSZKKQOLCMSK-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562110 175205446 /nfs/dbraw/zinc/20/54/46/175205446.db2.gz PUMOSRNLICJBJO-QWHCGFSZSA-N 1 0 277.368 2.730 10 5 CFBERO C[N@@H+]1CCCC[C@@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563311 175206586 /nfs/dbraw/zinc/20/65/86/175206586.db2.gz LVRUPJICEGAYLM-GFCCVEGCSA-N 1 0 267.304 2.630 10 5 CFBERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565915 175208403 /nfs/dbraw/zinc/20/84/03/175208403.db2.gz ONQJRSWPSJGOMV-VIFPVBQESA-N 1 0 284.747 2.539 10 5 CFBERO CC[NH2+]Cc1cnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000044732095 175240843 /nfs/dbraw/zinc/24/08/43/175240843.db2.gz DNPBYNACKWMKSP-UHFFFAOYSA-N 1 0 263.322 2.828 10 5 CFBERO CCC([NH3+])(CC)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000044747985 175243592 /nfs/dbraw/zinc/24/35/92/175243592.db2.gz BEDLINKBNZTGFK-UHFFFAOYSA-N 1 0 290.323 2.927 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000110798006 260239833 /nfs/dbraw/zinc/23/98/33/260239833.db2.gz BJJZMDFPKCURSW-VIFPVBQESA-N 1 0 269.732 2.660 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000229597835 274420364 /nfs/dbraw/zinc/42/03/64/274420364.db2.gz BZMHWVNINWKMOM-CMPLNLGQSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000041030094 274962022 /nfs/dbraw/zinc/96/20/22/274962022.db2.gz STWQVUUOGZWFQL-QMMMGPOBSA-N 1 0 289.257 2.541 10 5 CFBERO C[NH2+]C[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040601898 277283457 /nfs/dbraw/zinc/28/34/57/277283457.db2.gz QZISLHDOJVCNCV-SNVBAGLBSA-N 1 0 283.759 2.684 10 5 CFBERO O=[N+]([O-])c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000079416737 280369659 /nfs/dbraw/zinc/36/96/59/280369659.db2.gz CZJBIMSARUUJDX-KRWDZBQOSA-N 1 0 297.358 2.589 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000094663303 281010369 /nfs/dbraw/zinc/01/03/69/281010369.db2.gz FYPUTAADKQBJDY-CQSZACIVSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NCCC[NH2+]C(C)C ZINC000561263802 282051067 /nfs/dbraw/zinc/05/10/67/282051067.db2.gz IAXDHIKEVDSJHI-UHFFFAOYSA-N 1 0 251.330 2.703 10 5 CFBERO [NH3+]C[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000123535134 295270131 /nfs/dbraw/zinc/27/01/31/295270131.db2.gz ZZNPRKYGOYNCSL-SECBINFHSA-N 1 0 289.257 2.541 10 5 CFBERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261778488 300677586 /nfs/dbraw/zinc/67/75/86/300677586.db2.gz PHWXKRBMAKGNBV-CBAPKCEASA-N 1 0 289.257 2.540 10 5 CFBERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049218806 519794122 /nfs/dbraw/zinc/79/41/22/519794122.db2.gz DJSPTGMMGHOPOO-CYBMUJFWSA-N 1 0 251.330 2.593 10 5 CFBERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)ncc1[N+](=O)[O-] ZINC000097829699 533997777 /nfs/dbraw/zinc/99/77/77/533997777.db2.gz HVIBLTILJWVWEG-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO CC(C)[NH2+]CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000050617398 519721461 /nfs/dbraw/zinc/72/14/61/519721461.db2.gz GNCHYCOUFRPYQJ-UHFFFAOYSA-N 1 0 290.323 2.575 10 5 CFBERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443743 519814532 /nfs/dbraw/zinc/81/45/32/519814532.db2.gz IIJSZDKUDHVYGY-ZDUSSCGKSA-N 1 0 299.802 2.924 10 5 CFBERO CCC[NH2+]Cc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000049258971 519953016 /nfs/dbraw/zinc/95/30/16/519953016.db2.gz HWQMFCWKVQUGDB-UHFFFAOYSA-N 1 0 296.367 2.898 10 5 CFBERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231038 521649616 /nfs/dbraw/zinc/64/96/16/521649616.db2.gz YCZJOGGZKBFFJR-VIFPVBQESA-N 1 0 284.747 2.539 10 5 CFBERO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)CC1CC1 ZINC000050815517 521682258 /nfs/dbraw/zinc/68/22/58/521682258.db2.gz GXJISJINKIYIKG-UHFFFAOYSA-N 1 0 263.341 2.799 10 5 CFBERO CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000157888167 521683595 /nfs/dbraw/zinc/68/35/95/521683595.db2.gz LQFSUYCTLRAFAV-LBPRGKRZSA-N 1 0 297.786 2.822 10 5 CFBERO Cc1cnc(NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000097829720 534586414 /nfs/dbraw/zinc/58/64/14/534586414.db2.gz JSLWOSMLEJVLSK-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439783 521956721 /nfs/dbraw/zinc/95/67/21/521956721.db2.gz UQCFLHYWOUAUGJ-SDBXPKJASA-N 1 0 279.340 2.524 10 5 CFBERO CC[C@@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813083 522085316 /nfs/dbraw/zinc/08/53/16/522085316.db2.gz ZRFUPCNJECTWSR-SNVBAGLBSA-N 1 0 251.330 2.797 10 5 CFBERO CNc1ccc(C[N@@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000050817856 522608596 /nfs/dbraw/zinc/60/85/96/522608596.db2.gz SZXIESUYKNBYJG-UHFFFAOYSA-N 1 0 281.381 2.575 10 5 CFBERO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000050816082 522647568 /nfs/dbraw/zinc/64/75/68/522647568.db2.gz GWXMXJCJKKFTMB-CMPLNLGQSA-N 1 0 261.325 2.621 10 5 CFBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000050792749 523183490 /nfs/dbraw/zinc/18/34/90/523183490.db2.gz XATHCIFHHUGSRR-UHFFFAOYSA-N 1 0 263.341 2.942 10 5 CFBERO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231670966 523229107 /nfs/dbraw/zinc/22/91/07/523229107.db2.gz NRXXJSHYCXQNJD-ZDUSSCGKSA-N 1 0 297.786 2.822 10 5 CFBERO COCCCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517345 523409405 /nfs/dbraw/zinc/40/94/05/523409405.db2.gz TWJJQTCWAFSOOD-UHFFFAOYSA-N 1 0 296.367 2.898 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000312513860 524140587 /nfs/dbraw/zinc/14/05/87/524140587.db2.gz NNEPNHWPGWTNPF-MRVPVSSYSA-N 1 0 295.368 2.529 10 5 CFBERO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)[C@@H]1C ZINC000050814429 524232431 /nfs/dbraw/zinc/23/24/31/524232431.db2.gz BBLVSMFEYRNQKN-GHMZBOCLSA-N 1 0 263.341 2.797 10 5 CFBERO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150016 524319500 /nfs/dbraw/zinc/31/95/00/524319500.db2.gz UKBPARGUKZEKQA-OLZOCXBDSA-N 1 0 277.368 2.730 10 5 CFBERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000052278842 524852728 /nfs/dbraw/zinc/85/27/28/524852728.db2.gz XDMPZCIGJCBPTD-CPCISQLKSA-N 1 0 285.141 2.855 10 5 CFBERO Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000063201587 524945611 /nfs/dbraw/zinc/94/56/11/524945611.db2.gz SNWBMAKFPPZLNE-HNNXBMFYSA-N 1 0 289.379 2.872 10 5 CFBERO Cc1cc(N[C@@H](C)CCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000311769005 525291108 /nfs/dbraw/zinc/29/11/08/525291108.db2.gz XITBAAKWWTZTGH-JTQLQIEISA-N 1 0 269.320 2.972 10 5 CFBERO Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261827462 525294948 /nfs/dbraw/zinc/29/49/48/525294948.db2.gz UKAHDGZIKZRBRO-CMPLNLGQSA-N 1 0 281.331 2.972 10 5 CFBERO Cc1cc(N[C@H](C[NH3+])C2CCCCC2)ncc1[N+](=O)[O-] ZINC000155828364 525303298 /nfs/dbraw/zinc/30/32/98/525303298.db2.gz OAQIXKIOGOPRLH-GFCCVEGCSA-N 1 0 278.356 2.618 10 5 CFBERO Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701032 525314774 /nfs/dbraw/zinc/31/47/74/525314774.db2.gz RPOSOAMZQVNUKA-GFCCVEGCSA-N 1 0 261.325 2.552 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1C[C@@H]1CCCC[C@H]1[NH3+] ZINC000048770746 525462952 /nfs/dbraw/zinc/46/29/52/525462952.db2.gz YMQZPFKXMRSSDI-GXFFZTMASA-N 1 0 264.325 2.663 10 5 CFBERO COc1ccc([N+](=O)[O-])cc1OCCC[NH2+]C(C)(C)C ZINC000048784342 525473241 /nfs/dbraw/zinc/47/32/41/525473241.db2.gz OSNBTJWBQXIFEX-UHFFFAOYSA-N 1 0 282.340 2.760 10 5 CFBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000312311732 525664524 /nfs/dbraw/zinc/66/45/24/525664524.db2.gz QDLDUPGZSKHCMV-XCBNKYQSSA-N 1 0 289.257 2.540 10 5 CFBERO CSC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000069447617 525682469 /nfs/dbraw/zinc/68/24/69/525682469.db2.gz RFTCJKVHTINUEN-SNVBAGLBSA-N 1 0 268.382 2.992 10 5 CFBERO Cc1c(C[NH2+][C@H](CN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000049204916 525728099 /nfs/dbraw/zinc/72/80/99/525728099.db2.gz RUAUBKCACXSNRR-CQSZACIVSA-N 1 0 279.384 2.579 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OC1CCC([NH3+])CC1 ZINC000055143359 526085934 /nfs/dbraw/zinc/08/59/34/526085934.db2.gz CGOGMDYBOBXJGE-UHFFFAOYSA-N 1 0 250.298 2.552 10 5 CFBERO NC(=[NH2+])CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440493 526816192 /nfs/dbraw/zinc/81/61/92/526816192.db2.gz YMUCYPLVLCMVEN-UHFFFAOYSA-N 1 0 292.122 2.997 10 5 CFBERO [NH3+]CCC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000312704974 527183363 /nfs/dbraw/zinc/18/33/63/527183363.db2.gz POVQECQAIQAPTP-LLVKDONJSA-N 1 0 292.364 2.943 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089092328 527216192 /nfs/dbraw/zinc/21/61/92/527216192.db2.gz QRXYDODKWZLTSW-GZMMTYOYSA-N 1 0 269.732 2.788 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051920130 527358552 /nfs/dbraw/zinc/35/85/52/527358552.db2.gz SZXXNLWBKWWGGE-JTQLQIEISA-N 1 0 268.288 2.502 10 5 CFBERO O=[N+]([O-])c1ccccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000051862194 527399990 /nfs/dbraw/zinc/39/99/90/527399990.db2.gz CAXPQHHWSKZYKP-ZDUSSCGKSA-N 1 0 264.325 2.644 10 5 CFBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000300243664 617760175 /nfs/dbraw/zinc/76/01/75/617760175.db2.gz RASJMLDIFFGMPO-KOLCDFICSA-N 1 0 283.759 2.812 10 5 CFBERO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000051693868 618048827 /nfs/dbraw/zinc/04/88/27/618048827.db2.gz HHUHBRVKVBWFCD-UHFFFAOYSA-N 1 0 286.335 2.825 10 5 CFBERO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000261570870 618106663 /nfs/dbraw/zinc/10/66/63/618106663.db2.gz PPHFCUZDVRULOO-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000231042190 623319393 /nfs/dbraw/zinc/31/93/93/623319393.db2.gz ROIXPFBAMIDTJG-ZIAGYGMSSA-N 1 0 278.352 2.544 10 5 CFBERO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063201198 623332436 /nfs/dbraw/zinc/33/24/36/623332436.db2.gz INGJJAVKJVSJRB-CQSZACIVSA-N 1 0 293.342 2.702 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000089106099 650827827 /nfs/dbraw/zinc/82/78/27/650827827.db2.gz VSIFSCHQGNJLET-WCQYABFASA-N 1 0 286.335 2.682 10 5 CFBERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089386932 650840152 /nfs/dbraw/zinc/84/01/52/650840152.db2.gz QWKSUCFEWUYVFF-DGCLKSJQSA-N 1 0 291.351 2.607 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129397060 645176515 /nfs/dbraw/zinc/17/65/15/645176515.db2.gz PDTBGSABZPZAPP-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO C[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001851490 717090560 /nfs/dbraw/zinc/09/05/60/717090560.db2.gz NWCAFBPXPZSSCD-UHFFFAOYSA-O 1 0 297.422 2.554 10 5 CFBERO CC[N@+](C)(C(=O)[O-])c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000245224506 717163869 /nfs/dbraw/zinc/16/38/69/717163869.db2.gz XPQWZGUNGYAQED-BZNIZROVSA-O 1 0 251.350 2.944 10 5 CFBERO CCOc1cccc(NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000594691946 349474816 /nfs/dbraw/zinc/47/48/16/349474816.db2.gz BQPMXRVZWOUTER-UHFFFAOYSA-N 1 0 279.340 2.677 10 5 CFBERO CCC[C@H]([NH2+]C1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103330 349582301 /nfs/dbraw/zinc/58/23/01/349582301.db2.gz LLCSLZBSKYHIMS-HGMXIMQMSA-N 1 0 278.352 2.797 10 5 CFBERO CN(CCC[NH+](C)C)c1ccc(C2CC2)cc1[N+](=O)[O-] ZINC000035246514 346320220 /nfs/dbraw/zinc/32/02/20/346320220.db2.gz CBHRTPXFGSECPJ-UHFFFAOYSA-N 1 0 277.368 2.860 10 5 CFBERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000089105915 347511461 /nfs/dbraw/zinc/51/14/61/347511461.db2.gz DLEYUBPHDUGVQC-CMPLNLGQSA-N 1 0 286.335 2.682 10 5 CFBERO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCC2)c(Cl)c1 ZINC000087028849 179382296 /nfs/dbraw/zinc/38/22/96/179382296.db2.gz GXBIWHWKPRWAQL-UHFFFAOYSA-N 1 0 284.743 2.643 10 5 CFBERO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000300405815 348367783 /nfs/dbraw/zinc/36/77/83/348367783.db2.gz YQBTVVABSAMXAC-AVGNSLFASA-N 1 0 278.352 2.797 10 5 CFBERO Cc1cc(NC[C@H]2CCCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000312069694 348416392 /nfs/dbraw/zinc/41/63/92/348416392.db2.gz MVCMBLHDOYVBFI-SNVBAGLBSA-N 1 0 267.304 2.596 10 5 CFBERO CCOc1cccc(N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320460920 348436801 /nfs/dbraw/zinc/43/68/01/348436801.db2.gz DQWFMGLLILTGBR-NXEZZACHSA-N 1 0 267.329 2.531 10 5 CFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320731881 348436928 /nfs/dbraw/zinc/43/69/28/348436928.db2.gz SXDMRXYLTKDXMS-JGVFFNPUSA-N 1 0 257.721 2.786 10 5 CFBERO Cc1cnn(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000105908559 186087053 /nfs/dbraw/zinc/08/70/53/186087053.db2.gz BVYGJTHJUQXYFC-UHFFFAOYSA-N 1 0 294.742 2.543 10 5 CFBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000600962233 350637715 /nfs/dbraw/zinc/63/77/15/350637715.db2.gz BVRSWYCGVSNDLL-KYZUINATSA-N 1 0 284.747 2.573 10 5 CFBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600962248 350637873 /nfs/dbraw/zinc/63/78/73/350637873.db2.gz CHPGWUZHIKQASL-CBAPKCEASA-N 1 0 289.257 2.540 10 5 CFBERO CCOc1cccc(N[C@@H]2CC[NH2+][C@H]2CC)c1[N+](=O)[O-] ZINC000600952319 350636062 /nfs/dbraw/zinc/63/60/62/350636062.db2.gz VGFLJXIQNJNRGH-WDEREUQCSA-N 1 0 279.340 2.546 10 5 CFBERO Cc1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793219 186325015 /nfs/dbraw/zinc/32/50/15/186325015.db2.gz IBJYIJHZPMAZOC-GFCCVEGCSA-N 1 0 263.341 2.705 10 5 CFBERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000610420510 351564805 /nfs/dbraw/zinc/56/48/05/351564805.db2.gz DITDURRUCDICEK-LLVKDONJSA-N 1 0 296.392 2.504 10 5 CFBERO CCC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000161147714 188511187 /nfs/dbraw/zinc/51/11/87/188511187.db2.gz HAGOBWUCQMHUSQ-GFCCVEGCSA-N 1 0 279.340 2.572 10 5 CFBERO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000041153335 283408602 /nfs/dbraw/zinc/40/86/02/283408602.db2.gz PABUKGJPECYJON-UHFFFAOYSA-N 1 0 288.307 2.763 10 5 CFBERO [NH3+]C[C@@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000095072422 283460413 /nfs/dbraw/zinc/46/04/13/283460413.db2.gz XHYFFGWLSNCLIG-JTQLQIEISA-N 1 0 292.364 2.522 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000038050948 283563000 /nfs/dbraw/zinc/56/30/00/283563000.db2.gz WGCWMOFVLHNRQF-VXGBXAGGSA-N 1 0 286.335 2.825 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000301482134 201022708 /nfs/dbraw/zinc/02/27/08/201022708.db2.gz SXJSYMCSWXVTNP-CQSZACIVSA-N 1 0 263.341 2.515 10 5 CFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]1C[NH2+][C@@H](C2)c2ccccc21 ZINC000029560833 372383383 /nfs/dbraw/zinc/38/33/83/372383383.db2.gz JJOZJYKIIFFPAR-HOTGVXAUSA-N 1 0 266.300 2.927 10 5 CFBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Br ZINC000063171439 373790904 /nfs/dbraw/zinc/79/09/04/373790904.db2.gz QGZUFXSSHFBNEE-SSDOTTSWSA-N 1 0 288.145 2.507 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000094663250 375372982 /nfs/dbraw/zinc/37/29/82/375372982.db2.gz UMEMKRJXGYNEBC-FUNVUKJBSA-N 1 0 275.352 2.622 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000130092044 377510435 /nfs/dbraw/zinc/51/04/35/377510435.db2.gz FFSIGGAWAAMZJP-UHFFFAOYSA-N 1 0 251.330 2.833 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000130580917 377579874 /nfs/dbraw/zinc/57/98/74/377579874.db2.gz PHEWJFSDANXGQH-NSHDSACASA-N 1 0 267.329 2.533 10 5 CFBERO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000130839500 377619990 /nfs/dbraw/zinc/61/99/90/377619990.db2.gz XEMHEPBKCDGEQE-AWEZNQCLSA-N 1 0 263.341 2.914 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[NH2+]C2CCCCCC2)nc1 ZINC000133560085 377940415 /nfs/dbraw/zinc/94/04/15/377940415.db2.gz BPDFOSORHQTLAO-UHFFFAOYSA-N 1 0 278.356 2.714 10 5 CFBERO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000133171281 377910788 /nfs/dbraw/zinc/91/07/88/377910788.db2.gz XFNZBDNPVOYBCH-JTQLQIEISA-N 1 0 289.257 2.763 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000175056053 379987410 /nfs/dbraw/zinc/98/74/10/379987410.db2.gz NHPCKUGXXSKHAB-LSDHHAIUSA-N 1 0 289.379 2.653 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000175340400 380046609 /nfs/dbraw/zinc/04/66/09/380046609.db2.gz ZHDMRSBOUYAESV-HNNXBMFYSA-N 1 0 291.395 2.819 10 5 CFBERO CC[C@@H]([NH2+]CCC(=O)OC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181552354 380825406 /nfs/dbraw/zinc/82/54/06/380825406.db2.gz UELLPDZZALRASU-CQSZACIVSA-N 1 0 294.351 2.977 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320990706 382540299 /nfs/dbraw/zinc/54/02/99/382540299.db2.gz YKYVFMLHJOVGDT-NXEZZACHSA-N 1 0 274.324 2.681 10 5 CFBERO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000383377697 382543333 /nfs/dbraw/zinc/54/33/33/382543333.db2.gz LHNLLGLPRVOENK-SECBINFHSA-N 1 0 279.674 2.643 10 5 CFBERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259014 382612609 /nfs/dbraw/zinc/61/26/09/382612609.db2.gz CVCXDFNFUOGAIX-JSGCOSHPSA-N 1 0 277.368 2.648 10 5 CFBERO Cc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235256445 382878765 /nfs/dbraw/zinc/87/87/65/382878765.db2.gz SGMSFXKBSFIBQV-VXGBXAGGSA-N 1 0 263.341 2.703 10 5 CFBERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000236159431 382892472 /nfs/dbraw/zinc/89/24/72/382892472.db2.gz ZKRFRMUOUIDJDG-UFBFGSQYSA-N 1 0 285.294 2.802 10 5 CFBERO COc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000262462226 383622482 /nfs/dbraw/zinc/62/24/82/383622482.db2.gz IQPSCAKRZRPYDN-UHFFFAOYSA-N 1 0 299.330 2.819 10 5 CFBERO O=[N+]([O-])c1ccc2oc(OCCC3CC[NH2+]CC3)nc2c1 ZINC000095092046 184941067 /nfs/dbraw/zinc/94/10/67/184941067.db2.gz YDWAHQTWMWPTCC-UHFFFAOYSA-N 1 0 291.307 2.505 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958233 393484053 /nfs/dbraw/zinc/48/40/53/393484053.db2.gz OEXJHZIRPMVRMO-UKRRQHHQSA-N 1 0 289.379 2.966 10 5 CFBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420216370 394097173 /nfs/dbraw/zinc/09/71/73/394097173.db2.gz MJXFRILOISFUOG-ZETCQYMHSA-N 1 0 277.246 2.620 10 5 CFBERO CN(CC(C)(C)C[NH3+])c1c2ccccc2ncc1[N+](=O)[O-] ZINC000130600505 394114950 /nfs/dbraw/zinc/11/49/50/394114950.db2.gz BOTQDVUYUOUXCL-UHFFFAOYSA-N 1 0 288.351 2.564 10 5 CFBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)CC ZINC000035414691 172188211 /nfs/dbraw/zinc/18/82/11/172188211.db2.gz NWOJAPKRULVRCO-SNVBAGLBSA-N 1 0 252.314 2.882 10 5 CFBERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386482 173170311 /nfs/dbraw/zinc/17/03/11/173170311.db2.gz BKYKRYBAOOBKRP-QMMMGPOBSA-N 1 0 285.731 2.575 10 5 CFBERO CCC[C@H](CCc1cc([N+](=O)[O-])ccc1OC)[NH2+]C ZINC000038001164 173963949 /nfs/dbraw/zinc/96/39/49/173963949.db2.gz QALHLTYAFOPWBR-GFCCVEGCSA-N 1 0 266.341 2.924 10 5 CFBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000038050627 174062150 /nfs/dbraw/zinc/06/21/50/174062150.db2.gz SMQUUABTMLCZOR-JQWIXIFHSA-N 1 0 269.732 2.930 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000038080379 174090128 /nfs/dbraw/zinc/09/01/28/174090128.db2.gz BMRWVDUDNRYBCG-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])c(F)c1 ZINC000038081175 174090752 /nfs/dbraw/zinc/09/07/52/174090752.db2.gz ZLTMBXMFFGIZJH-UHFFFAOYSA-N 1 0 293.229 2.949 10 5 CFBERO [NH3+][C@H](Cc1ccccc1F)c1ccc([N+](=O)[O-])o1 ZINC000038130038 174131639 /nfs/dbraw/zinc/13/16/39/174131639.db2.gz BNGTYPOVIFTQHD-SNVBAGLBSA-N 1 0 250.229 2.569 10 5 CFBERO C[NH2+][C@H](Cc1cccs1)c1ccc([N+](=O)[O-])o1 ZINC000038132728 174132443 /nfs/dbraw/zinc/13/24/43/174132443.db2.gz HOEBKJFKFPQQHE-SECBINFHSA-N 1 0 252.295 2.753 10 5 CFBERO Cc1cccc2oc(-c3ccc([N+](=O)[O-])cc3)c[n+]21 ZINC000038986739 174161180 /nfs/dbraw/zinc/16/11/80/174161180.db2.gz JRYGDRZHJRHRFY-UHFFFAOYSA-N 1 0 255.253 2.902 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746367 174391661 /nfs/dbraw/zinc/39/16/61/174391661.db2.gz VLJXQLWKPKWITI-FOSCPWQOSA-N 1 0 261.325 2.598 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588709 175073050 /nfs/dbraw/zinc/07/30/50/175073050.db2.gz VHPXOUNDTWTQDN-GFCCVEGCSA-N 1 0 291.351 2.622 10 5 CFBERO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043588695 175073055 /nfs/dbraw/zinc/07/30/55/175073055.db2.gz PFBAJWMMWPWWSA-LBPRGKRZSA-N 1 0 291.351 2.622 10 5 CFBERO O=[N+]([O-])c1c2ncsc2ccc1NCC1CC[NH2+]CC1 ZINC000044509283 175187111 /nfs/dbraw/zinc/18/71/11/175187111.db2.gz DSAQVHAESBQJIP-UHFFFAOYSA-N 1 0 292.364 2.616 10 5 CFBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000070463592 175944291 /nfs/dbraw/zinc/94/42/91/175944291.db2.gz RRZCDNLRNKRUNE-SNVBAGLBSA-N 1 0 273.283 2.928 10 5 CFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+](C)C)C1 ZINC000277843503 274723036 /nfs/dbraw/zinc/72/30/36/274723036.db2.gz SFGCKKFBWZRBBO-SNVBAGLBSA-N 1 0 283.759 2.697 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043327027 275033195 /nfs/dbraw/zinc/03/31/95/275033195.db2.gz AWDFUECIWAPLMX-SECBINFHSA-N 1 0 289.257 2.778 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000175354843 276183261 /nfs/dbraw/zinc/18/32/61/276183261.db2.gz NZKHSIZVFSZBCQ-AWEZNQCLSA-N 1 0 277.368 2.511 10 5 CFBERO CCc1cc([N+](=O)[O-])cc2nc(-c3cc[n+](C)cc3)oc21 ZINC000226234719 276663900 /nfs/dbraw/zinc/66/39/00/276663900.db2.gz ZPDJZQJPTUMMCF-UHFFFAOYSA-N 1 0 284.295 2.790 10 5 CFBERO C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261571416 278556903 /nfs/dbraw/zinc/55/69/03/278556903.db2.gz RANKNQXPFIQAFK-NXEZZACHSA-N 1 0 283.759 2.669 10 5 CFBERO C[C@H]([NH3+])C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000235477192 279394163 /nfs/dbraw/zinc/39/41/63/279394163.db2.gz GWTVHFXSLGRDGD-VIFPVBQESA-N 1 0 283.759 2.812 10 5 CFBERO O=[N+]([O-])c1ccccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201230 280374940 /nfs/dbraw/zinc/37/49/40/280374940.db2.gz FGHXZXJMFMLGIE-ZDUSSCGKSA-N 1 0 275.352 2.563 10 5 CFBERO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561267207 282051157 /nfs/dbraw/zinc/05/11/57/282051157.db2.gz AKHYGKBTQHNNDL-CQSZACIVSA-N 1 0 295.770 2.828 10 5 CFBERO CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000048627750 517590062 /nfs/dbraw/zinc/59/00/62/517590062.db2.gz DUVRHYNYFZLHNR-KGLIPLIRSA-N 1 0 278.352 2.542 10 5 CFBERO CC(C)C[C@H](CN(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049555706 519339266 /nfs/dbraw/zinc/33/92/66/519339266.db2.gz NJRURAUTJHZJOJ-OAHLLOKOSA-N 1 0 293.411 2.703 10 5 CFBERO CC(C)C[C@@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])c1 ZINC000049558137 519776171 /nfs/dbraw/zinc/77/61/71/519776171.db2.gz KUZZYXNKCHNFPW-ZDUSSCGKSA-N 1 0 265.357 2.983 10 5 CFBERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814054 519791213 /nfs/dbraw/zinc/79/12/13/519791213.db2.gz OIAKRWMNLSXPHT-SNVBAGLBSA-N 1 0 251.330 2.653 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049197523 519793964 /nfs/dbraw/zinc/79/39/64/519793964.db2.gz GMDCAKMYGJFAQU-SWLSCSKDSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197421 519794018 /nfs/dbraw/zinc/79/40/18/519794018.db2.gz DUQNSNAPPRSLPY-GXTWGEPZSA-N 1 0 279.384 2.832 10 5 CFBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C)CC)c1 ZINC000050516996 520001808 /nfs/dbraw/zinc/00/18/08/520001808.db2.gz YPNIUAIWMXNPKS-JTQLQIEISA-N 1 0 252.314 2.882 10 5 CFBERO CC[NH2+]Cc1nccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000051004705 520023695 /nfs/dbraw/zinc/02/36/95/520023695.db2.gz IGMQPOSVNVITCC-UHFFFAOYSA-N 1 0 294.742 2.603 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000050618993 520080011 /nfs/dbraw/zinc/08/00/11/520080011.db2.gz JOXPYMWSFFIAEN-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000050618753 520080364 /nfs/dbraw/zinc/08/03/64/520080364.db2.gz IMNKLEMFDPOBSX-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CC[NH2+][C@@H](C)c1nnc(-c2cccc(C)c2[N+](=O)[O-])o1 ZINC000050618755 520082186 /nfs/dbraw/zinc/08/21/86/520082186.db2.gz MYKOBZZWTDWTBH-VIFPVBQESA-N 1 0 276.296 2.624 10 5 CFBERO CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000048627752 520087441 /nfs/dbraw/zinc/08/74/41/520087441.db2.gz DUVRHYNYFZLHNR-ZIAGYGMSSA-N 1 0 278.352 2.542 10 5 CFBERO CCCNc1ccc(C[N@H+](C)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050815221 520155653 /nfs/dbraw/zinc/15/56/53/520155653.db2.gz TYPNBVDKOZZYMZ-LBPRGKRZSA-N 1 0 295.383 2.883 10 5 CFBERO CCNc1ccc(C[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000050813398 520301535 /nfs/dbraw/zinc/30/15/35/520301535.db2.gz WCPVPOICDDODRN-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CCCCOCCOc1cc(C[NH2+]CC)ccc1[N+](=O)[O-] ZINC000050516923 520791976 /nfs/dbraw/zinc/79/19/76/520791976.db2.gz ANXKAHLZHQHOFH-UHFFFAOYSA-N 1 0 296.367 2.900 10 5 CFBERO CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000050814618 521656778 /nfs/dbraw/zinc/65/67/78/521656778.db2.gz AVFZMXGOQNOONA-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813215 523869755 /nfs/dbraw/zinc/86/97/55/523869755.db2.gz UJWSWRRPQSODBD-JTQLQIEISA-N 1 0 251.330 2.655 10 5 CFBERO C[C@H](CCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000313495421 524139008 /nfs/dbraw/zinc/13/90/08/524139008.db2.gz JTBYBHKBYXBYDF-SNVBAGLBSA-N 1 0 274.324 2.682 10 5 CFBERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791964 524886104 /nfs/dbraw/zinc/88/61/04/524886104.db2.gz GGBCARRYMKNRCF-QWRGUYRKSA-N 1 0 263.341 2.655 10 5 CFBERO Cc1cc(NC(=O)CC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000050951655 525128557 /nfs/dbraw/zinc/12/85/57/525128557.db2.gz CNOLABBSKLDEOY-LBPRGKRZSA-N 1 0 291.351 2.764 10 5 CFBERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791968 525210094 /nfs/dbraw/zinc/21/00/94/525210094.db2.gz WHVXUCPRDYKHFK-GHMZBOCLSA-N 1 0 263.341 2.655 10 5 CFBERO Cc1cc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000050439238 525264221 /nfs/dbraw/zinc/26/42/21/525264221.db2.gz UKFHTQCFNMPJPR-UHFFFAOYSA-N 1 0 263.341 2.718 10 5 CFBERO Cc1ccc(NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000062075850 525274661 /nfs/dbraw/zinc/27/46/61/525274661.db2.gz SXLUJELFPBXKAJ-UHFFFAOYSA-N 1 0 263.341 2.801 10 5 CFBERO Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261827465 525294842 /nfs/dbraw/zinc/29/48/42/525294842.db2.gz UKAHDGZIKZRBRO-ZYHUDNBSSA-N 1 0 281.331 2.972 10 5 CFBERO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000061701622 525427493 /nfs/dbraw/zinc/42/74/93/525427493.db2.gz WOEGPAPBJOBPKI-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO COc1ccc([N+](=O)[O-])c(N[C@H](C)CCCC[NH3+])c1 ZINC000311706642 525452077 /nfs/dbraw/zinc/45/20/77/525452077.db2.gz MYMUCOXOOXYLKC-SNVBAGLBSA-N 1 0 267.329 2.533 10 5 CFBERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000049149959 525599011 /nfs/dbraw/zinc/59/90/11/525599011.db2.gz ATXPPFVVCPXKSW-QWHCGFSZSA-N 1 0 277.368 2.730 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)nc1 ZINC000050470330 526824362 /nfs/dbraw/zinc/82/43/62/526824362.db2.gz ZFKNJVVIHOTGGJ-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO Cc1nc2cc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])cc2s1 ZINC000063171693 527129868 /nfs/dbraw/zinc/12/98/68/527129868.db2.gz VKVGUKNTWGZQNG-ZETCQYMHSA-N 1 0 280.353 2.662 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2F)c1 ZINC000050516090 527257408 /nfs/dbraw/zinc/25/74/08/527257408.db2.gz HGPPSZNDQHFREB-UHFFFAOYSA-N 1 0 294.257 2.911 10 5 CFBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2cccs2)c1 ZINC000050516400 527258742 /nfs/dbraw/zinc/25/87/42/527258742.db2.gz HUCFAEBXEUERIU-UHFFFAOYSA-N 1 0 264.306 2.694 10 5 CFBERO CC(C)([NH3+])CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000096470194 527259441 /nfs/dbraw/zinc/25/94/41/527259441.db2.gz DDEWRJABJSFEJS-UHFFFAOYSA-N 1 0 288.145 2.507 10 5 CFBERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444509 527352249 /nfs/dbraw/zinc/35/22/49/527352249.db2.gz KSVWFVILQCJHQU-LDYMZIIASA-N 1 0 254.717 2.918 10 5 CFBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000050470246 527372674 /nfs/dbraw/zinc/37/26/74/527372674.db2.gz VXXKREYNNUXTME-VIFPVBQESA-N 1 0 270.716 2.769 10 5 CFBERO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000160544909 527386069 /nfs/dbraw/zinc/38/60/69/527386069.db2.gz JCIBEYLRGRKGKT-UHFFFAOYSA-N 1 0 286.335 2.698 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000312096693 528958608 /nfs/dbraw/zinc/95/86/08/528958608.db2.gz FNOVLMAQZVVKRL-SNVBAGLBSA-N 1 0 269.320 2.972 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000160666080 528958830 /nfs/dbraw/zinc/95/88/30/528958830.db2.gz OGQFZIQALBJNPZ-GFCCVEGCSA-N 1 0 281.356 2.923 10 5 CFBERO [NH3+]C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000261598733 618111241 /nfs/dbraw/zinc/11/12/41/618111241.db2.gz PJJPBNRKZLCPEQ-UHFFFAOYSA-N 1 0 284.747 2.717 10 5 CFBERO [NH3+][C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000311087432 618682271 /nfs/dbraw/zinc/68/22/71/618682271.db2.gz XXRWQINIDRSWEX-DTWKUNHWSA-N 1 0 269.732 2.788 10 5 CFBERO [NH3+]C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236246411 619196038 /nfs/dbraw/zinc/19/60/38/619196038.db2.gz OKMQEYGOASBAPK-SSDOTTSWSA-N 1 0 290.150 2.687 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000229601891 623214272 /nfs/dbraw/zinc/21/42/72/623214272.db2.gz KZSYKYLHBFSGKF-CMPLNLGQSA-N 1 0 286.335 2.695 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000110798419 634808959 /nfs/dbraw/zinc/80/89/59/634808959.db2.gz UCZQNVYNEXJAJD-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000111830669 635189906 /nfs/dbraw/zinc/18/99/06/635189906.db2.gz OJWPVAZVHGVDAV-VIFPVBQESA-N 1 0 255.293 2.519 10 5 CFBERO CC(C)[C@@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125211425 642556056 /nfs/dbraw/zinc/55/60/56/642556056.db2.gz XIIXMNYBMDWXDA-VIFPVBQESA-N 1 0 257.721 2.643 10 5 CFBERO C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253197044 651040201 /nfs/dbraw/zinc/04/02/01/651040201.db2.gz ULXTYARANXYSRM-NXEZZACHSA-N 1 0 283.759 2.669 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000104354686 647571658 /nfs/dbraw/zinc/57/16/58/647571658.db2.gz OUAHCKYHEXKSEO-GFCCVEGCSA-N 1 0 263.341 2.705 10 5 CFBERO CC(=O)c1ccc2cc(N3CC[N+](C)(C)CC3)ccc2c1 ZINC000204852698 717159344 /nfs/dbraw/zinc/15/93/44/717159344.db2.gz MXIHUJMNYUFKKO-UHFFFAOYSA-N 1 0 283.395 2.939 10 5 CFBERO C[N+]1(C[C@H](O)c2ccccc2)CCN(c2ccccc2)CC1 ZINC000207328898 717160625 /nfs/dbraw/zinc/16/06/25/717160625.db2.gz IXJXYRNNEVROFA-IBGZPJMESA-N 1 0 297.422 2.687 10 5 CFBERO CN(C)C(=O)Oc1ccc([N+]2(C)CCCCC2)cc1 ZINC000033856076 717122490 /nfs/dbraw/zinc/12/24/90/717122490.db2.gz ZJAWTEHMGZRNQK-UHFFFAOYSA-N 1 0 263.361 2.868 10 5 CFBERO CN(CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594693062 349475000 /nfs/dbraw/zinc/47/50/00/349475000.db2.gz JZXBUYMJRLCJMT-UHFFFAOYSA-N 1 0 291.273 2.787 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCC[C@@H]([NH3+])C(C)C ZINC000596030369 349778506 /nfs/dbraw/zinc/77/85/06/349778506.db2.gz WBNJWRYXQCBQOU-GFCCVEGCSA-N 1 0 251.330 2.689 10 5 CFBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596032465 349778559 /nfs/dbraw/zinc/77/85/59/349778559.db2.gz LLNUCOCCDABNOG-SSDOTTSWSA-N 1 0 277.246 2.633 10 5 CFBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000596032892 349779023 /nfs/dbraw/zinc/77/90/23/349779023.db2.gz PSPCVCHDUAMIMM-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000110798007 260239542 /nfs/dbraw/zinc/23/95/42/260239542.db2.gz BJJZMDFPKCURSW-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163505 346328059 /nfs/dbraw/zinc/32/80/59/346328059.db2.gz QQCOPMFDKCWOCL-SUHUHFCYSA-N 1 0 264.325 2.549 10 5 CFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000320686745 348436521 /nfs/dbraw/zinc/43/65/21/348436521.db2.gz MBZNSUDLGUBBNX-HTQZYQBOSA-N 1 0 257.721 2.786 10 5 CFBERO Cc1cc(N2CCC(CC[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000313195504 348422067 /nfs/dbraw/zinc/42/20/67/348422067.db2.gz XTPBCMQZJALPFA-UHFFFAOYSA-N 1 0 281.331 2.608 10 5 CFBERO COc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089142929 179720669 /nfs/dbraw/zinc/72/06/69/179720669.db2.gz AWXUNLUSJQFJSM-ZYHUDNBSSA-N 1 0 279.340 2.533 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000089143243 179721383 /nfs/dbraw/zinc/72/13/83/179721383.db2.gz RVFLLWQNOYWDOE-KCJUWKMLSA-N 1 0 285.294 2.802 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000129345322 187425069 /nfs/dbraw/zinc/42/50/69/187425069.db2.gz JNGJQRAQHIYDDQ-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000591439973 349022099 /nfs/dbraw/zinc/02/20/99/349022099.db2.gz KANYZVFAWZNXGN-CQSZACIVSA-N 1 0 295.770 2.828 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1NCCC1CC[NH2+]CC1 ZINC000593232738 349232036 /nfs/dbraw/zinc/23/20/36/349232036.db2.gz CPQOPZMIKDFOAX-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c(F)c1 ZINC000593233201 349232669 /nfs/dbraw/zinc/23/26/69/349232669.db2.gz LUKRGKLSCAWTMH-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000090538952 180000497 /nfs/dbraw/zinc/00/04/97/180000497.db2.gz BHKUTOYTVCBFDP-CYBMUJFWSA-N 1 0 288.351 2.759 10 5 CFBERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918666 180063174 /nfs/dbraw/zinc/06/31/74/180063174.db2.gz QGCUYCGAJHSMGH-DDTOSNHZSA-N 1 0 264.325 2.813 10 5 CFBERO Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000600962703 350638696 /nfs/dbraw/zinc/63/86/96/350638696.db2.gz KBCQCEWKYBVAEE-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000600963550 350638905 /nfs/dbraw/zinc/63/89/05/350638905.db2.gz XONMOKMEZIAVPY-HAQNSBGRSA-N 1 0 263.341 2.833 10 5 CFBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000111304732 186393640 /nfs/dbraw/zinc/39/36/40/186393640.db2.gz KKYMACFYPJAESL-SSDOTTSWSA-N 1 0 277.246 2.763 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000111830714 186461404 /nfs/dbraw/zinc/46/14/04/186461404.db2.gz LNZXSCPKRYSLFX-VIFPVBQESA-N 1 0 255.293 2.519 10 5 CFBERO CCCN(c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000113283879 186569388 /nfs/dbraw/zinc/56/93/88/186569388.db2.gz VLNMPADEZTTZPT-LBPRGKRZSA-N 1 0 263.341 2.563 10 5 CFBERO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050163672 373359359 /nfs/dbraw/zinc/35/93/59/373359359.db2.gz VEDQDCKVTVJALX-NEPJUHHUSA-N 1 0 263.341 2.703 10 5 CFBERO C[C@H]([NH3+])CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000063171622 373791019 /nfs/dbraw/zinc/79/10/19/373791019.db2.gz PPXAELJNWMIFKX-ZETCQYMHSA-N 1 0 277.246 2.763 10 5 CFBERO O=[N+]([O-])c1ccccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201231 373797167 /nfs/dbraw/zinc/79/71/67/373797167.db2.gz FGHXZXJMFMLGIE-CYBMUJFWSA-N 1 0 275.352 2.563 10 5 CFBERO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000075782925 374504550 /nfs/dbraw/zinc/50/45/50/374504550.db2.gz VJRKHHORMNWHTR-TVQRCGJNSA-N 1 0 284.743 2.905 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000089108873 374869783 /nfs/dbraw/zinc/86/97/83/374869783.db2.gz ZAHIJNWJGUCPEA-MWLCHTKSSA-N 1 0 267.304 2.663 10 5 CFBERO [NH3+][C@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000093211911 375196112 /nfs/dbraw/zinc/19/61/12/375196112.db2.gz KXQYJWPXTQPSRO-UWVGGRQHSA-N 1 0 269.732 2.930 10 5 CFBERO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000093632673 375276899 /nfs/dbraw/zinc/27/68/99/375276899.db2.gz SVTDOYFOOVSLPZ-ZANVPECISA-N 1 0 284.743 2.905 10 5 CFBERO O=[N+]([O-])c1ccc2oc(OCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092045 375412130 /nfs/dbraw/zinc/41/21/30/375412130.db2.gz HQAOTRXJKXSXCN-SNVBAGLBSA-N 1 0 291.307 2.505 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092199 375413025 /nfs/dbraw/zinc/41/30/25/375413025.db2.gz KJMIFLYJESQCBR-SECBINFHSA-N 1 0 293.348 2.828 10 5 CFBERO O=[N+]([O-])c1ccc2oc(S[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092192 375413295 /nfs/dbraw/zinc/41/32/95/375413295.db2.gz LSDKTLQIXQGFDE-SECBINFHSA-N 1 0 279.321 2.580 10 5 CFBERO [NH3+]Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000261507625 190040181 /nfs/dbraw/zinc/04/01/81/190040181.db2.gz KJTYIUJSZMPOAO-UHFFFAOYSA-N 1 0 258.277 2.633 10 5 CFBERO Cc1ccc([N+](=O)[O-])c(NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000129345111 377412873 /nfs/dbraw/zinc/41/28/73/377412873.db2.gz JNGJQRAQHIYDDQ-CQSZACIVSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000129381751 377419295 /nfs/dbraw/zinc/41/92/95/377419295.db2.gz NLRHJNLKAAZEJP-AWEZNQCLSA-N 1 0 263.341 2.705 10 5 CFBERO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135610567 378149925 /nfs/dbraw/zinc/14/99/25/378149925.db2.gz BUQUAGDEBMTHTR-UKRRQHHQSA-N 1 0 278.352 2.686 10 5 CFBERO CCC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000136768750 378208739 /nfs/dbraw/zinc/20/87/39/378208739.db2.gz DHKOYKBSCWCBRQ-BXUZGUMPSA-N 1 0 293.367 2.502 10 5 CFBERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000151842595 378364040 /nfs/dbraw/zinc/36/40/40/378364040.db2.gz YPMAEBPHCIHALJ-XEZPLFJOSA-N 1 0 291.395 2.974 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000175047072 379984739 /nfs/dbraw/zinc/98/47/39/379984739.db2.gz JXWGKXJEROCLDK-GOEBONIOSA-N 1 0 289.379 2.653 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000175332190 380045054 /nfs/dbraw/zinc/04/50/54/380045054.db2.gz WWWZAHJOAHJYPS-LBPRGKRZSA-N 1 0 283.397 2.572 10 5 CFBERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000336792948 380639552 /nfs/dbraw/zinc/63/95/52/380639552.db2.gz UWOFHVMZNMDXCT-SECBINFHSA-N 1 0 255.293 2.663 10 5 CFBERO CCOc1cc(N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000233806774 382872071 /nfs/dbraw/zinc/87/20/71/382872071.db2.gz UMFUVALONFQULZ-CYBMUJFWSA-N 1 0 293.367 2.923 10 5 CFBERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH3+] ZINC000261591474 383523568 /nfs/dbraw/zinc/52/35/68/383523568.db2.gz VLJFOVOVZGKASG-NKWVEPMBSA-N 1 0 288.145 2.505 10 5 CFBERO Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ncc1[N+](=O)[O-] ZINC000262522298 383625988 /nfs/dbraw/zinc/62/59/88/383625988.db2.gz OFYZXWQRMZXXBM-AWEZNQCLSA-N 1 0 298.346 2.597 10 5 CFBERO C[NH2+][C@@H]1CCC[C@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000081776275 177858072 /nfs/dbraw/zinc/85/80/72/177858072.db2.gz YSQCFKVDMCNFER-VXGBXAGGSA-N 1 0 252.339 2.827 10 5 CFBERO O=[N+]([O-])c1ccc2sc(OCC3CC[NH2+]CC3)nc2c1 ZINC000095092078 184940802 /nfs/dbraw/zinc/94/08/02/184940802.db2.gz FXRNKDZWMXKGGJ-UHFFFAOYSA-N 1 0 293.348 2.583 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000310779782 393519268 /nfs/dbraw/zinc/51/92/68/393519268.db2.gz XCJXEPDCZFAOOM-VIFPVBQESA-N 1 0 255.293 2.663 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000183349413 393520568 /nfs/dbraw/zinc/52/05/68/393520568.db2.gz UTKHQMDKBTXVAC-BBRMVZONSA-N 1 0 289.379 2.572 10 5 CFBERO Cc1cc([N+](=O)[O-])cc2nc(-c3cc[n+](C)cc3)oc21 ZINC000226777750 393771237 /nfs/dbraw/zinc/77/12/37/393771237.db2.gz AIVMWCGZXVOXCM-UHFFFAOYSA-N 1 0 270.268 2.536 10 5 CFBERO C[C@H](CCC[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000420256967 394106717 /nfs/dbraw/zinc/10/67/17/394106717.db2.gz HYTONRDPOTUPST-SNVBAGLBSA-N 1 0 274.324 2.682 10 5 CFBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000130581747 394113909 /nfs/dbraw/zinc/11/39/09/394113909.db2.gz SXOKTSAPACYESN-LBPRGKRZSA-N 1 0 251.330 2.833 10 5 CFBERO Cc1cnc2cccc([N+](=O)[O-])c2c1NCCC[NH+](C)C ZINC000028771476 171574588 /nfs/dbraw/zinc/57/45/88/171574588.db2.gz ZWFOYPCDCYAMFX-UHFFFAOYSA-N 1 0 288.351 2.815 10 5 CFBERO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCC ZINC000035414739 172188208 /nfs/dbraw/zinc/18/82/08/172188208.db2.gz CTDQJBGVGUICAL-UHFFFAOYSA-N 1 0 252.314 2.883 10 5 CFBERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037166545 173000927 /nfs/dbraw/zinc/00/09/27/173000927.db2.gz FCUUFJSETOINBL-CQSZACIVSA-N 1 0 279.384 2.661 10 5 CFBERO O=[N+]([O-])c1cc(C[NH2+]C2CCCC2)c(F)cc1F ZINC000037186931 173017660 /nfs/dbraw/zinc/01/76/60/173017660.db2.gz WRQKTHWNGBGSDD-UHFFFAOYSA-N 1 0 256.252 2.905 10 5 CFBERO C[C@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037284830 173091576 /nfs/dbraw/zinc/09/15/76/173091576.db2.gz CHIDUWZPONAUIY-SECBINFHSA-N 1 0 266.322 2.970 10 5 CFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386455 173169887 /nfs/dbraw/zinc/16/98/87/173169887.db2.gz HJUIFDZDHQGFKX-MRVPVSSYSA-N 1 0 285.731 2.575 10 5 CFBERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000037947362 173888759 /nfs/dbraw/zinc/88/87/59/173888759.db2.gz RHIYJVITTMRPPN-JGVFFNPUSA-N 1 0 287.157 2.883 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080198 174090011 /nfs/dbraw/zinc/09/00/11/174090011.db2.gz UGHAQWMFKQMTKT-UHFFFAOYSA-N 1 0 257.249 2.671 10 5 CFBERO C[NH2+][C@H](Cc1ccsc1)c1ccc([N+](=O)[O-])o1 ZINC000038130924 174131897 /nfs/dbraw/zinc/13/18/97/174131897.db2.gz KYANCCAVNIJQAU-SECBINFHSA-N 1 0 252.295 2.753 10 5 CFBERO C[N@@H+]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673490 174371964 /nfs/dbraw/zinc/37/19/64/174371964.db2.gz QRSRFVUWKXDUMW-LLVKDONJSA-N 1 0 286.335 2.649 10 5 CFBERO CC[NH+](CC)C[C@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000041677336 174602796 /nfs/dbraw/zinc/60/27/96/174602796.db2.gz XIGNXSPDXAQBGJ-JTQLQIEISA-N 1 0 269.320 2.876 10 5 CFBERO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000043474021 175054315 /nfs/dbraw/zinc/05/43/15/175054315.db2.gz BUCSQTXMGHITHA-QWRGUYRKSA-N 1 0 281.331 2.876 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CCCC[NH2+]1 ZINC000043494742 175057579 /nfs/dbraw/zinc/05/75/79/175057579.db2.gz NCIAFSVSGJMRPD-JTQLQIEISA-N 1 0 270.716 2.769 10 5 CFBERO CC(C)C[C@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044388910 175170688 /nfs/dbraw/zinc/17/06/88/175170688.db2.gz GFXWKOIVRMROMD-GFCCVEGCSA-N 1 0 265.357 2.983 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000044503176 175186321 /nfs/dbraw/zinc/18/63/21/175186321.db2.gz WQINKWWOVBBPFI-LLVKDONJSA-N 1 0 286.335 2.555 10 5 CFBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562109 175206073 /nfs/dbraw/zinc/20/60/73/175206073.db2.gz PUMOSRNLICJBJO-OLZOCXBDSA-N 1 0 277.368 2.730 10 5 CFBERO CCCN(CC[NH+](C)C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000044572268 175209708 /nfs/dbraw/zinc/20/97/08/175209708.db2.gz JNOJUQXGTBBNTH-UHFFFAOYSA-N 1 0 293.367 2.575 10 5 CFBERO O=[N+]([O-])c1cccc(Br)c1C[n+]1ccccc1 ZINC000575141557 335071925 /nfs/dbraw/zinc/07/19/25/335071925.db2.gz LVCIOKATKBQAAK-UHFFFAOYSA-N 1 0 294.128 2.693 10 5 CFBERO C[NH2+][C@@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000261548833 273971353 /nfs/dbraw/zinc/97/13/53/273971353.db2.gz JVHCCTVQFHJVSD-LURJTMIESA-N 1 0 278.139 2.921 10 5 CFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000229611783 274419212 /nfs/dbraw/zinc/41/92/12/274419212.db2.gz FKRDICOEURXSHW-JQWIXIFHSA-N 1 0 286.335 2.695 10 5 CFBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000038050922 274961908 /nfs/dbraw/zinc/96/19/08/274961908.db2.gz VMUGVMKDACVUGR-GXTWGEPZSA-N 1 0 286.335 2.825 10 5 CFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CC[NH2+]C1 ZINC000131909348 275033137 /nfs/dbraw/zinc/03/31/37/275033137.db2.gz HQHCWWNKBSPXSR-MRVPVSSYSA-N 1 0 289.257 2.635 10 5 CFBERO O=[N+]([O-])c1ccc2sc(S[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092246 275039181 /nfs/dbraw/zinc/03/91/81/275039181.db2.gz BQJZLZBOVIYCOF-MRVPVSSYSA-N 1 0 281.362 2.659 10 5 CFBERO Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)c(F)cc1[N+](=O)[O-] ZINC000313183874 280538404 /nfs/dbraw/zinc/53/84/04/280538404.db2.gz VWLCARLCMWZMRA-GFCCVEGCSA-N 1 0 283.347 2.852 10 5 CFBERO C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261569603 299988811 /nfs/dbraw/zinc/98/88/11/299988811.db2.gz NAAYXXZCVGNSCA-ONGXEEELSA-N 1 0 283.759 2.812 10 5 CFBERO CCOc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382450571 324428891 /nfs/dbraw/zinc/42/88/91/324428891.db2.gz DZHRQPVBDUCZMT-GHMZBOCLSA-N 1 0 279.340 2.675 10 5 CFBERO [NH3+][C@H]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382472524 324428919 /nfs/dbraw/zinc/42/89/19/324428919.db2.gz QUJFQYMXDVBTRD-DTWKUNHWSA-N 1 0 269.732 2.930 10 5 CFBERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000536960345 330384110 /nfs/dbraw/zinc/38/41/10/330384110.db2.gz ZMBWOQPIOKKSGR-GFCCVEGCSA-N 1 0 294.351 2.963 10 5 CFBERO CC(C)C[C@@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000232608943 519776500 /nfs/dbraw/zinc/77/65/00/519776500.db2.gz WTNWZVZURWDGQX-QMMMGPOBSA-N 1 0 273.283 2.658 10 5 CFBERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049197300 519793866 /nfs/dbraw/zinc/79/38/66/519793866.db2.gz UPZARQUZQKZXJQ-SWLSCSKDSA-N 1 0 279.384 2.832 10 5 CFBERO CC(C)[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814057 519811899 /nfs/dbraw/zinc/81/18/99/519811899.db2.gz SXXHQIWPUAZZRG-JTQLQIEISA-N 1 0 251.330 2.653 10 5 CFBERO CC(C)[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049218752 519814933 /nfs/dbraw/zinc/81/49/33/519814933.db2.gz HTBSMKYAWABNGC-LBPRGKRZSA-N 1 0 296.327 2.501 10 5 CFBERO CCNc1ccc(C[N@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000050814147 520298556 /nfs/dbraw/zinc/29/85/56/520298556.db2.gz VLFPPFALWWMQFF-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCOCC1 ZINC000050814149 520328437 /nfs/dbraw/zinc/32/84/37/520328437.db2.gz YRWGUJRVIKKNJC-UHFFFAOYSA-N 1 0 293.367 2.637 10 5 CFBERO CCOc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250640820 520750409 /nfs/dbraw/zinc/75/04/09/520750409.db2.gz XNXHJHFYQCMDSE-SMDDNHRTSA-N 1 0 293.367 2.557 10 5 CFBERO CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439892 521074344 /nfs/dbraw/zinc/07/43/44/521074344.db2.gz YDARXGCSDODDNQ-LLVKDONJSA-N 1 0 279.340 2.668 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000232996024 521191692 /nfs/dbraw/zinc/19/16/92/521191692.db2.gz ZLKCUSGGIASMTG-MRVPVSSYSA-N 1 0 272.736 2.573 10 5 CFBERO CCC[C@](C)([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441205 521277511 /nfs/dbraw/zinc/27/75/11/521277511.db2.gz KKRYOAPEAIPJAK-AWEZNQCLSA-N 1 0 290.323 2.927 10 5 CFBERO CCC(CC)[N@H+](CCO)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816959 521553500 /nfs/dbraw/zinc/55/35/00/521553500.db2.gz QBRHOSKMAQWCPH-UHFFFAOYSA-N 1 0 295.383 2.619 10 5 CFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000245440891 523321964 /nfs/dbraw/zinc/32/19/64/523321964.db2.gz UYJXTXGOSWRWFK-STQMWFEESA-N 1 0 295.408 2.715 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000245424144 523486826 /nfs/dbraw/zinc/48/68/26/523486826.db2.gz JXWGKXJEROCLDK-ZBFHGGJFSA-N 1 0 289.379 2.653 10 5 CFBERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443962 523799747 /nfs/dbraw/zinc/79/97/47/523799747.db2.gz FKXYEHUJJIYJNK-ZDUSSCGKSA-N 1 0 297.786 2.822 10 5 CFBERO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688116 524593132 /nfs/dbraw/zinc/59/31/32/524593132.db2.gz BOVNFEIUAONIJK-LBPRGKRZSA-N 1 0 296.392 2.801 10 5 CFBERO Cc1ccc([N+](=O)[O-])cc1OCCC[C@@H]1CCC[NH2+]1 ZINC000052765178 526085986 /nfs/dbraw/zinc/08/59/86/526085986.db2.gz WHMARQIJWLBMRM-LBPRGKRZSA-N 1 0 264.325 2.814 10 5 CFBERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000050951649 526565307 /nfs/dbraw/zinc/56/53/07/526565307.db2.gz RVJPPEYDBDLXKE-SNVBAGLBSA-N 1 0 295.314 2.595 10 5 CFBERO NC(=[NH2+])c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000061814662 526820543 /nfs/dbraw/zinc/82/05/43/526820543.db2.gz MLFFSSHCRIDGJC-UHFFFAOYSA-N 1 0 292.682 2.720 10 5 CFBERO Cc1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000062726379 526887322 /nfs/dbraw/zinc/88/73/22/526887322.db2.gz GEYZLKVRBLMCCY-UHFFFAOYSA-N 1 0 277.349 2.692 10 5 CFBERO Cc1nc2cc(NCC[NH2+]C3CC3)c([N+](=O)[O-])cc2s1 ZINC000054267843 527129784 /nfs/dbraw/zinc/12/97/84/527129784.db2.gz QVHSNHPOQZMZNU-UHFFFAOYSA-N 1 0 292.364 2.677 10 5 CFBERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054306737 527168153 /nfs/dbraw/zinc/16/81/53/527168153.db2.gz XIZCPWOZECMNGJ-SECBINFHSA-N 1 0 297.742 2.576 10 5 CFBERO O=[N+]([O-])c1ccc(F)cc1COCC[C@H]1CCCC[NH2+]1 ZINC000051862249 527356814 /nfs/dbraw/zinc/35/68/14/527356814.db2.gz URIULZCAIWUAAC-CYBMUJFWSA-N 1 0 282.315 2.783 10 5 CFBERO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)cc1Cl ZINC000050470249 527370681 /nfs/dbraw/zinc/37/06/81/527370681.db2.gz CXLZDXIPAFPHOH-UHFFFAOYSA-N 1 0 270.716 2.627 10 5 CFBERO O=[N+]([O-])c1ccc(OCC[NH2+]CCc2ccsc2)cc1 ZINC000049180593 527373067 /nfs/dbraw/zinc/37/30/67/527373067.db2.gz HXSPNZMFLHGGAM-UHFFFAOYSA-N 1 0 292.360 2.867 10 5 CFBERO [NH3+][C@H](CC[C@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000069395975 527385351 /nfs/dbraw/zinc/38/53/51/527385351.db2.gz ZDTATYBMNZZEJP-UKRRQHHQSA-N 1 0 278.352 2.814 10 5 CFBERO CCCC[C@H](C[NH3+])Nc1c(C)cccc1[N+](=O)[O-] ZINC000158951484 528958070 /nfs/dbraw/zinc/95/80/70/528958070.db2.gz VFKKSXRAPFJELM-LLVKDONJSA-N 1 0 251.330 2.833 10 5 CFBERO [NH3+]C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000236158863 618607198 /nfs/dbraw/zinc/60/71/98/618607198.db2.gz VYSIRPIMOKWCBY-UHFFFAOYSA-N 1 0 290.150 2.829 10 5 CFBERO O=[N+]([O-])c1ccccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261804570 619277361 /nfs/dbraw/zinc/27/73/61/619277361.db2.gz ZDOLLEQHFUVEFM-HNNXBMFYSA-N 1 0 283.331 2.894 10 5 CFBERO CC[NH2+]CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000233518940 624948401 /nfs/dbraw/zinc/94/84/01/624948401.db2.gz LKHQSAUOLMYKGE-UHFFFAOYSA-N 1 0 278.139 2.923 10 5 CFBERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000078505449 650510173 /nfs/dbraw/zinc/51/01/73/650510173.db2.gz CITXRMKYCNNCQV-TVQRCGJNSA-N 1 0 283.759 2.812 10 5 CFBERO COc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089108885 650827816 /nfs/dbraw/zinc/82/78/16/650827816.db2.gz OESPGUKLCAREMV-ZYHUDNBSSA-N 1 0 279.340 2.533 10 5 CFBERO Cc1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000104354682 647571498 /nfs/dbraw/zinc/57/14/98/647571498.db2.gz OUAHCKYHEXKSEO-LBPRGKRZSA-N 1 0 263.341 2.705 10 5 CFBERO CCNC(=O)Oc1cccc([N+](C)(CC)CC)c1 ZINC000001998365 717091704 /nfs/dbraw/zinc/09/17/04/717091704.db2.gz ZOIRWIMRWWZNGC-UHFFFAOYSA-O 1 0 251.350 2.772 10 5 CFBERO CCN(CC)CC[N+](C)(C)C(=O)Nc1ccccc1OC ZINC000585668465 717185012 /nfs/dbraw/zinc/18/50/12/717185012.db2.gz NRCPHXBZSLUWAZ-UHFFFAOYSA-O 1 0 294.419 2.645 10 5 CFBERO CC[N+](C)(CC)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005651703 717100383 /nfs/dbraw/zinc/10/03/83/717100383.db2.gz YWPSNBLCIFPTPK-UHFFFAOYSA-O 1 0 293.475 2.948 10 5 CFBERO Cc1cccc([N+](=O)[O-])c1NCC[C@@H]([NH3+])C(C)C ZINC000596030342 349778669 /nfs/dbraw/zinc/77/86/69/349778669.db2.gz UTKBJQBAGPXFJN-LLVKDONJSA-N 1 0 251.330 2.689 10 5 CFBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596032466 349778679 /nfs/dbraw/zinc/77/86/79/349778679.db2.gz LLNUCOCCDABNOG-ZETCQYMHSA-N 1 0 277.246 2.633 10 5 CFBERO CN(C)C1(C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000097930480 232183379 /nfs/dbraw/zinc/18/33/79/232183379.db2.gz JRZQIUMFPFQPIE-UHFFFAOYSA-N 1 0 297.786 2.822 10 5 CFBERO Cc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829761 232181599 /nfs/dbraw/zinc/18/15/99/232181599.db2.gz PBWZRXSVEKZAJJ-UHFFFAOYSA-N 1 0 284.319 2.514 10 5 CFBERO O=[N+]([O-])c1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000088259792 347500805 /nfs/dbraw/zinc/50/08/05/347500805.db2.gz NXBCMJNQBALDET-CQSZACIVSA-N 1 0 283.331 2.979 10 5 CFBERO O=[N+]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000088346239 347501971 /nfs/dbraw/zinc/50/19/71/347501971.db2.gz BVUNFAAOQWGVQX-IAGOWNOFSA-N 1 0 282.343 2.931 10 5 CFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCCC[NH2+]1 ZINC000130586187 347872484 /nfs/dbraw/zinc/87/24/84/347872484.db2.gz PURORYKZDOQHLG-LLVKDONJSA-N 1 0 286.335 2.697 10 5 CFBERO C[NH+](C)[C@]1(C)CC=C(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000725256697 539591794 /nfs/dbraw/zinc/59/17/94/539591794.db2.gz GJCCWNGHONGLTJ-CQSZACIVSA-N 1 0 261.325 2.877 10 5 CFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320959412 348437652 /nfs/dbraw/zinc/43/76/52/348437652.db2.gz VMEYGFCGMLTYJC-UWVGGRQHSA-N 1 0 274.324 2.681 10 5 CFBERO CC[N@H+](CCO)CCCCCc1ccccc1[N+](=O)[O-] ZINC000584603311 348686335 /nfs/dbraw/zinc/68/63/35/348686335.db2.gz URFCHVSNJCSYQA-UHFFFAOYSA-N 1 0 280.368 2.622 10 5 CFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000591439972 349021982 /nfs/dbraw/zinc/02/19/82/349021982.db2.gz KANYZVFAWZNXGN-AWEZNQCLSA-N 1 0 295.770 2.828 10 5 CFBERO Cc1cc(NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593233473 349232674 /nfs/dbraw/zinc/23/26/74/349232674.db2.gz RRLHTJVUTUUCHU-UHFFFAOYSA-N 1 0 263.341 2.705 10 5 CFBERO CC1(CNc2cccc(F)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129480660 187434393 /nfs/dbraw/zinc/43/43/93/187434393.db2.gz VUYBQQXVDWZAND-UHFFFAOYSA-N 1 0 267.304 2.536 10 5 CFBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000600957892 350637240 /nfs/dbraw/zinc/63/72/40/350637240.db2.gz WUXIVHMXIUFPNB-OIBJUYFYSA-N 1 0 289.257 2.776 10 5 CFBERO CC[C@H](NC(=O)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000177788734 189069675 /nfs/dbraw/zinc/06/96/75/189069675.db2.gz KKKDXYNQTDESDU-AWEZNQCLSA-N 1 0 293.367 2.504 10 5 CFBERO [NH3+]CCc1cc2cc[nH]c(=O)c2c2cc(Cl)ccc12 ZINC000028955820 372372747 /nfs/dbraw/zinc/37/27/47/372372747.db2.gz XDMXXMGSHKFEJC-UHFFFAOYSA-N 1 0 272.735 2.836 10 5 CFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665174 375136950 /nfs/dbraw/zinc/13/69/50/375136950.db2.gz QXCOXOFDQKXBGL-NSHDSACASA-N 1 0 281.331 2.654 10 5 CFBERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000093437406 375236990 /nfs/dbraw/zinc/23/69/90/375236990.db2.gz SPXSVIUIJZXWMI-ZFWWWQNUSA-N 1 0 289.379 2.572 10 5 CFBERO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093211862 375196147 /nfs/dbraw/zinc/19/61/47/375196147.db2.gz QUTQKLSDWUTTBE-IUCAKERBSA-N 1 0 269.732 2.930 10 5 CFBERO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c2ccncc21 ZINC000110798690 375832139 /nfs/dbraw/zinc/83/21/39/375832139.db2.gz SPDVUXONMUMCKJ-NSHDSACASA-N 1 0 286.335 2.555 10 5 CFBERO CCC([NH3+])(CC)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000130064114 377506450 /nfs/dbraw/zinc/50/64/50/377506450.db2.gz DWLDQBHNHBQPQS-UHFFFAOYSA-N 1 0 255.293 2.663 10 5 CFBERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000149608738 378265777 /nfs/dbraw/zinc/26/57/77/378265777.db2.gz BPSXLPXECLQHBL-LDYMZIIASA-N 1 0 270.716 2.515 10 5 CFBERO Cc1c(C[N@@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000171690663 379373034 /nfs/dbraw/zinc/37/30/34/379373034.db2.gz NMUGLZIOIWFILD-JTQLQIEISA-N 1 0 266.366 2.841 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000175331881 380045400 /nfs/dbraw/zinc/04/54/00/380045400.db2.gz DLLZPJXNDLZNFB-OAHLLOKOSA-N 1 0 277.368 2.511 10 5 CFBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000312311728 382514330 /nfs/dbraw/zinc/51/43/30/382514330.db2.gz QDLDUPGZSKHCMV-GMSGAONNSA-N 1 0 289.257 2.540 10 5 CFBERO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000385134158 382566740 /nfs/dbraw/zinc/56/67/40/382566740.db2.gz HLFXOKXJRMUWOP-UHFFFAOYSA-N 1 0 289.257 2.540 10 5 CFBERO CCOc1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382472229 382530356 /nfs/dbraw/zinc/53/03/56/382530356.db2.gz QOBPUYCBTKMKPW-GHMZBOCLSA-N 1 0 279.340 2.533 10 5 CFBERO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000388310375 382605234 /nfs/dbraw/zinc/60/52/34/382605234.db2.gz IQDRFGOGZGSTPD-NOZJJQNGSA-N 1 0 283.759 2.669 10 5 CFBERO [NH3+][C@@H](CC(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000575437939 382771110 /nfs/dbraw/zinc/77/11/10/382771110.db2.gz ZLBHIRCIAIXDJR-ZETCQYMHSA-N 1 0 250.632 2.903 10 5 CFBERO CCOc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000250632851 383378685 /nfs/dbraw/zinc/37/86/85/383378685.db2.gz NBPDIDSFCKAJHZ-NWDGAFQWSA-N 1 0 293.367 2.557 10 5 CFBERO Cc1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262510214 383624532 /nfs/dbraw/zinc/62/45/32/383624532.db2.gz MWFCOQFPGXKTAE-AWEZNQCLSA-N 1 0 298.346 2.597 10 5 CFBERO [NH3+][C@@H]1CCCC[C@@H]1Sc1ccccc1[N+](=O)[O-] ZINC000081776711 177858473 /nfs/dbraw/zinc/85/84/73/177858473.db2.gz FDSNLFUSFKBPMN-KOLCDFICSA-N 1 0 252.339 2.957 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092200 184940875 /nfs/dbraw/zinc/94/08/75/184940875.db2.gz KJMIFLYJESQCBR-VIFPVBQESA-N 1 0 293.348 2.828 10 5 CFBERO O=[N+]([O-])c1ccc2oc(SC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092197 184941022 /nfs/dbraw/zinc/94/10/22/184941022.db2.gz XFCSATBYELTTRC-QMMMGPOBSA-N 1 0 279.321 2.580 10 5 CFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000245444652 393805735 /nfs/dbraw/zinc/80/57/35/393805735.db2.gz YGAPWJKXRAOSPT-ZBFHGGJFSA-N 1 0 289.379 2.653 10 5 CFBERO COc1cc(N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1F ZINC000156797754 286227583 /nfs/dbraw/zinc/22/75/83/286227583.db2.gz OINPCNLADOGXTL-NSHDSACASA-N 1 0 299.346 2.552 10 5 CFBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccccc3cc21 ZINC000005957840 170162817 /nfs/dbraw/zinc/16/28/17/170162817.db2.gz HASYMRDFVCNFGG-UHFFFAOYSA-N 1 0 293.370 2.679 10 5 CFBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000020121662 171001072 /nfs/dbraw/zinc/00/10/72/171001072.db2.gz XTELGUKQBDRSOU-LLVKDONJSA-N 1 0 257.293 2.841 10 5 CFBERO CCC[NH2+]CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524948 171237906 /nfs/dbraw/zinc/23/79/06/171237906.db2.gz YCIAECLTFDASNJ-UHFFFAOYSA-N 1 0 258.705 2.627 10 5 CFBERO CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414776 172189316 /nfs/dbraw/zinc/18/93/16/172189316.db2.gz BSGSAHUFCZXTRX-UHFFFAOYSA-N 1 0 252.314 2.880 10 5 CFBERO CCC[NH2+]CCCOc1cc([N+](=O)[O-])ccc1C ZINC000035678388 172349337 /nfs/dbraw/zinc/34/93/37/172349337.db2.gz ZMCVLJCRJSUOQL-UHFFFAOYSA-N 1 0 252.314 2.672 10 5 CFBERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331830 173133785 /nfs/dbraw/zinc/13/37/85/173133785.db2.gz YJQZOXXICOQDQI-SECBINFHSA-N 1 0 284.747 2.539 10 5 CFBERO CCC[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403677 173180291 /nfs/dbraw/zinc/18/02/91/173180291.db2.gz VTXZUFCRIJPFLQ-UHFFFAOYSA-N 1 0 297.786 2.776 10 5 CFBERO CCC[C@@H]([NH3+])CCc1cc([N+](=O)[O-])ccc1OC ZINC000037408590 173184390 /nfs/dbraw/zinc/18/43/90/173184390.db2.gz BIPABHZRFCLPCW-LLVKDONJSA-N 1 0 252.314 2.663 10 5 CFBERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000038029326 174019411 /nfs/dbraw/zinc/01/94/11/174019411.db2.gz DYFSWQKPFBIVFC-LBPRGKRZSA-N 1 0 263.341 2.881 10 5 CFBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050624 174062123 /nfs/dbraw/zinc/06/21/23/174062123.db2.gz BAUNOVMIBMDHAI-NXEZZACHSA-N 1 0 269.732 2.930 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081173 174090743 /nfs/dbraw/zinc/09/07/43/174090743.db2.gz OKZIEETVVYWJEB-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO NC(=[NH2+])c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000038082061 174091361 /nfs/dbraw/zinc/09/13/61/174091361.db2.gz XIIAUMKFMUVXNA-UHFFFAOYSA-N 1 0 293.229 2.949 10 5 CFBERO CCC([NH3+])(CC)c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000041151530 174499104 /nfs/dbraw/zinc/49/91/04/174499104.db2.gz SKSGRTPGYXPCHT-UHFFFAOYSA-N 1 0 276.296 2.619 10 5 CFBERO [NH3+][C@H]1CCCc2c1ccn2Cc1ccc([N+](=O)[O-])cc1 ZINC000041731651 174619774 /nfs/dbraw/zinc/61/97/74/174619774.db2.gz NWXMTOWAYKZAEE-AWEZNQCLSA-N 1 0 271.320 2.781 10 5 CFBERO NC(=[NH2+])c1ccccc1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043472987 175053739 /nfs/dbraw/zinc/05/37/39/175053739.db2.gz VILCDCKUPFFOLE-UHFFFAOYSA-N 1 0 275.239 2.810 10 5 CFBERO Cc1c(OCC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000043499252 175058190 /nfs/dbraw/zinc/05/81/90/175058190.db2.gz WXHFMDMTFSJHHP-GFCCVEGCSA-N 1 0 264.325 2.814 10 5 CFBERO O=[N+]([O-])c1ccccc1SCC1CC[NH2+]CC1 ZINC000043498198 175058287 /nfs/dbraw/zinc/05/82/87/175058287.db2.gz GDDNHXPSGTVQOC-UHFFFAOYSA-N 1 0 252.339 2.687 10 5 CFBERO C[C@H]1CCC[C@@](CNc2cc([N+](=O)[O-])ccn2)([NH+](C)C)C1 ZINC000043567988 175067372 /nfs/dbraw/zinc/06/73/72/175067372.db2.gz WKVPELPBYFNBFD-SWLSCSKDSA-N 1 0 292.383 2.912 10 5 CFBERO COc1ccc(C[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000043652668 175085294 /nfs/dbraw/zinc/08/52/94/175085294.db2.gz WVLNWOJJXHKYEQ-WXHSDQCUSA-N 1 0 278.352 2.909 10 5 CFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502829 175186114 /nfs/dbraw/zinc/18/61/14/175186114.db2.gz GATZKLRMTCRWSQ-SECBINFHSA-N 1 0 269.732 2.660 10 5 CFBERO O=[N+]([O-])c1ccc2nc(NCC3CC[NH2+]CC3)ccc2c1 ZINC000044509282 175186965 /nfs/dbraw/zinc/18/69/65/175186965.db2.gz RILKKMHVUKVVDY-UHFFFAOYSA-N 1 0 286.335 2.555 10 5 CFBERO CC[NH+]1CCC(CNc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000044527286 175192980 /nfs/dbraw/zinc/19/29/80/175192980.db2.gz JTLZHTQAVIZGIM-UHFFFAOYSA-N 1 0 298.774 2.787 10 5 CFBERO Cc1cc(NC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000044563170 175206918 /nfs/dbraw/zinc/20/69/18/175206918.db2.gz DUXOMPKNOURNIC-CYBMUJFWSA-N 1 0 263.341 2.799 10 5 CFBERO CC1(C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000045117793 175311463 /nfs/dbraw/zinc/31/14/63/175311463.db2.gz QXXWJIVJAYIXHE-NSHDSACASA-N 1 0 256.252 2.761 10 5 CFBERO CC(C)[C@H](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079276330 177460856 /nfs/dbraw/zinc/46/08/56/177460856.db2.gz VLXJWXQFECQKQW-LBPRGKRZSA-N 1 0 293.367 2.935 10 5 CFBERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000236242424 274951754 /nfs/dbraw/zinc/95/17/54/274951754.db2.gz DVCFGMFJAZLUSX-LDYMZIIASA-N 1 0 284.747 2.573 10 5 CFBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000024659782 275036660 /nfs/dbraw/zinc/03/66/60/275036660.db2.gz FTPAXXMEUCNTSX-LLVKDONJSA-N 1 0 281.743 2.533 10 5 CFBERO CC[NH2+]CC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000233508559 276264553 /nfs/dbraw/zinc/26/45/53/276264553.db2.gz DMXROZNTGLOJJN-UHFFFAOYSA-N 1 0 277.368 2.729 10 5 CFBERO O=[N+]([O-])c1cccc(F)c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261599609 280372798 /nfs/dbraw/zinc/37/27/98/280372798.db2.gz BGDZKEKENRUGSG-ZDUSSCGKSA-N 1 0 293.342 2.702 10 5 CFBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000387420352 324491279 /nfs/dbraw/zinc/49/12/79/324491279.db2.gz FXRGFDNXVFDONW-SNVBAGLBSA-N 1 0 274.324 2.553 10 5 CFBERO [NH3+]CCc1c2cccc([N+](=O)[O-])c2[nH]c1C(F)(F)F ZINC000536957826 330383653 /nfs/dbraw/zinc/38/36/53/330383653.db2.gz FFPQWGDQZQUORF-UHFFFAOYSA-N 1 0 273.214 2.596 10 5 CFBERO