smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl ZINC000409162383 570152317 /nfs/dbraw/zinc/15/23/17/570152317.db2.gz DKBMRHPJUJYEMQ-UHFFFAOYSA-N 0 2 468.322 4.616 40 5 JJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408564821 570202919 /nfs/dbraw/zinc/20/29/19/570202919.db2.gz FWFHVVXWGGGWBF-UMDVNSCSSA-N 0 2 499.567 4.719 40 5 JJBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409331116 570204208 /nfs/dbraw/zinc/20/42/08/570204208.db2.gz DTLKHMGCEJWYKF-LUAWRHEFSA-N 0 2 494.504 4.506 40 5 JJBBLN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014270369 555762565 /nfs/dbraw/zinc/76/25/65/555762565.db2.gz FPGOJROINPOZCI-UHFFFAOYSA-N 0 2 469.350 4.724 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)[nH]1 ZINC000409319808 570201003 /nfs/dbraw/zinc/20/10/03/570201003.db2.gz MFGMWPJSUNCDPG-CLTKARDFSA-N 0 2 478.686 4.961 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569364 570204369 /nfs/dbraw/zinc/20/43/69/570204369.db2.gz VYXSHYYRQOVGKY-MQVPCNEGSA-N 0 2 481.911 4.580 40 5 JJBBLN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1 ZINC000020489252 519021103 /nfs/dbraw/zinc/02/11/03/519021103.db2.gz NQYQIPKUWXQGKU-UHFFFAOYSA-N 0 2 453.520 4.945 40 5 JJBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000100619333 569765711 /nfs/dbraw/zinc/76/57/11/569765711.db2.gz CPUPBBKPKDIGSV-NOZRDPDXSA-N 0 2 481.512 4.965 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566218 570203533 /nfs/dbraw/zinc/20/35/33/570203533.db2.gz NHLBAOJETZZZMU-LAMXGVLKSA-N 0 2 481.911 4.580 40 5 JJBBLN C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 ZINC000002731038 554315140 /nfs/dbraw/zinc/31/51/40/554315140.db2.gz URTQYBTXYZICLC-LLVKDONJSA-N 0 2 479.353 4.742 40 5 JJBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000033598456 569628506 /nfs/dbraw/zinc/62/85/06/569628506.db2.gz IGHQVPDGHKPDBD-SOFGYWHQSA-N 0 2 478.288 4.839 40 5 JJBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409327435 570202508 /nfs/dbraw/zinc/20/25/08/570202508.db2.gz TXRGJEBLIXYOIB-DJWKRKHSSA-N 0 2 494.338 4.694 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570232 570204538 /nfs/dbraw/zinc/20/45/38/570204538.db2.gz ZXLCVJATWVFLRO-QXGAZULMSA-N 0 2 479.536 4.941 40 5 JJBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100998840 569778852 /nfs/dbraw/zinc/77/88/52/569778852.db2.gz UPLCSJYZDURRJX-XMGLRAKGSA-N 0 2 481.512 4.756 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565582 570203294 /nfs/dbraw/zinc/20/32/94/570203294.db2.gz LLYVMWQYYFOCPI-MQVPCNEGSA-N 0 2 481.911 4.580 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565576 570203389 /nfs/dbraw/zinc/20/33/89/570203389.db2.gz LLYVMWQYYFOCPI-DPQOWFAMSA-N 0 2 481.911 4.580 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570230 570204559 /nfs/dbraw/zinc/20/45/59/570204559.db2.gz ZXLCVJATWVFLRO-PZFKOMAXSA-N 0 2 479.536 4.941 40 5 JJBBLN Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] ZINC000002730985 554315223 /nfs/dbraw/zinc/31/52/23/554315223.db2.gz FYMJULBYTRWOBK-NSHDSACASA-N 0 2 490.952 4.844 40 5 JJBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000033446827 569626480 /nfs/dbraw/zinc/62/64/80/569626480.db2.gz QWMUKUGPYXATHZ-WUXMJOGZSA-N 0 2 495.532 4.708 40 5 JJBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000037089070 569781321 /nfs/dbraw/zinc/78/13/21/569781321.db2.gz WJCSNRYJYSNISQ-UHFFFAOYSA-N 0 2 452.275 4.994 40 5 JJBBLN Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002731169 554315615 /nfs/dbraw/zinc/31/56/15/554315615.db2.gz UNLPHLPCAMRPRT-LLVKDONJSA-N 0 2 476.925 4.536 40 5 JJBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000032690733 556470771 /nfs/dbraw/zinc/47/07/71/556470771.db2.gz PPNPGHICZKTISH-YVMONPNESA-N 0 2 478.288 4.839 40 5 JJBBLN O=c1[n-]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261365864 570169210 /nfs/dbraw/zinc/16/92/10/570169210.db2.gz VXEGGYIXVZTDJZ-OAQYLSRUSA-O 0 2 494.940 4.669 40 5 JJBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000409312395 570199401 /nfs/dbraw/zinc/19/94/01/570199401.db2.gz LGCWMDWDNZOMAR-KXFIGUGUSA-N 0 2 464.261 4.861 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565579 570203315 /nfs/dbraw/zinc/20/33/15/570203315.db2.gz LLYVMWQYYFOCPI-DVKBMCPXSA-N 0 2 481.911 4.580 40 5 JJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408567267 570204037 /nfs/dbraw/zinc/20/40/37/570204037.db2.gz QSEARBKWXWAUDS-UMDVNSCSSA-N 0 2 499.567 4.637 40 5 JJBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014270325 555762212 /nfs/dbraw/zinc/76/22/12/555762212.db2.gz IPKGVBMPLHCHLT-UHFFFAOYSA-N 0 2 452.275 4.994 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)[nH]1 ZINC000035145776 569675741 /nfs/dbraw/zinc/67/57/41/569675741.db2.gz YSJXAAUIODRDIU-VQHVLOKHSA-N 0 2 484.299 4.773 40 5 JJBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000409325986 570202178 /nfs/dbraw/zinc/20/21/78/570202178.db2.gz FFRPXHDCZQTPAZ-HJWRWDBZSA-N 0 2 488.294 4.707 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565581 570203374 /nfs/dbraw/zinc/20/33/74/570203374.db2.gz LLYVMWQYYFOCPI-FMNCTDSISA-N 0 2 481.911 4.580 40 5 JJBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000100619330 569765662 /nfs/dbraw/zinc/76/56/62/569765662.db2.gz CPUPBBKPKDIGSV-ZCYQVOJMSA-N 0 2 481.512 4.965 40 5 JJBBLN CCOc1ccc2nc(Sc3ccc([C@@H]4[NH2+][C@@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1 ZINC000408994620 570095171 /nfs/dbraw/zinc/09/51/71/570095171.db2.gz ZZWPFTCQRHHKFJ-CXAGYDPISA-N 0 2 463.562 4.543 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)[nH]1 ZINC000409319646 570200856 /nfs/dbraw/zinc/20/08/56/570200856.db2.gz JPXVDDMQIYKKIJ-CLTKARDFSA-N 0 2 478.686 4.961 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569362 570204367 /nfs/dbraw/zinc/20/43/67/570204367.db2.gz VYXSHYYRQOVGKY-DVKBMCPXSA-N 0 2 481.911 4.580 40 5 JJBBLN COc1ccc(NS(=O)(=O)c2ccc(NCc3c4ccccc4nc4ccccc43)cc2)nn1 ZINC000005464570 524692627 /nfs/dbraw/zinc/69/26/27/524692627.db2.gz KVWANGRNPHZGOZ-UHFFFAOYSA-N 0 2 471.542 4.600 40 5 JJBBLN O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000032116376 556423278 /nfs/dbraw/zinc/42/32/78/556423278.db2.gz ZNWNRVKRIKCBFT-UHFFFAOYSA-N 0 2 450.470 4.731 40 5 JJBBLN O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000032116458 556423652 /nfs/dbraw/zinc/42/36/52/556423652.db2.gz RFMQDWWCJYVKIB-UHFFFAOYSA-N 0 2 494.921 4.840 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570235 570204581 /nfs/dbraw/zinc/20/45/81/570204581.db2.gz ZXLCVJATWVFLRO-VQFWCGETSA-N 0 2 479.536 4.941 40 5 JJBBLN Cc1nn(C[C@@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] ZINC000002730984 554314971 /nfs/dbraw/zinc/31/49/71/554314971.db2.gz FYMJULBYTRWOBK-LLVKDONJSA-N 0 2 490.952 4.844 40 5 JJBBLN Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002731170 554315588 /nfs/dbraw/zinc/31/55/88/554315588.db2.gz UNLPHLPCAMRPRT-NSHDSACASA-N 0 2 476.925 4.536 40 5 JJBBLN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)cc2Cl ZINC000008765709 554666531 /nfs/dbraw/zinc/66/65/31/554666531.db2.gz KCWWLPUOOGXUOJ-UHFFFAOYSA-N 0 2 473.290 4.934 40 5 JJBBLN CCOc1ccc2nc(Sc3ccc([C@H]4[NH2+][C@@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1 ZINC000408994624 570095144 /nfs/dbraw/zinc/09/51/44/570095144.db2.gz ZZWPFTCQRHHKFJ-DYVFJYSZSA-N 0 2 463.562 4.543 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)[nH]1 ZINC000409322921 570201452 /nfs/dbraw/zinc/20/14/52/570201452.db2.gz YPIUDSLBYUPPEK-ALCCZGGFSA-N 0 2 478.686 4.961 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566158 570203627 /nfs/dbraw/zinc/20/36/27/570203627.db2.gz NHLBAOJETZZZMU-HGMMTPDKSA-N 0 2 481.911 4.580 40 5 JJBBLN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1[N+](=O)[O-] ZINC000000826395 553788280 /nfs/dbraw/zinc/78/82/80/553788280.db2.gz ARGNWCMIKKNNJT-UHFFFAOYSA-N 0 2 470.279 4.871 40 5 JJBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000100619331 569765678 /nfs/dbraw/zinc/76/56/78/569765678.db2.gz CPUPBBKPKDIGSV-UKILVPOCSA-N 0 2 481.512 4.965 40 5 JJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408564824 570202843 /nfs/dbraw/zinc/20/28/43/570202843.db2.gz FWFHVVXWGGGWBF-USCUKXROSA-N 0 2 499.567 4.719 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566224 570203767 /nfs/dbraw/zinc/20/37/67/570203767.db2.gz NHLBAOJETZZZMU-WSNNEZGNSA-N 0 2 481.911 4.580 40 5 JJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408567270 570203990 /nfs/dbraw/zinc/20/39/90/570203990.db2.gz QSEARBKWXWAUDS-USCUKXROSA-N 0 2 499.567 4.637 40 5 JJBBLN C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 ZINC000002731037 554315300 /nfs/dbraw/zinc/31/53/00/554315300.db2.gz URTQYBTXYZICLC-NSHDSACASA-N 0 2 479.353 4.742 40 5 JJBBLN O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000032116471 556423685 /nfs/dbraw/zinc/42/36/85/556423685.db2.gz UERJOAQOZRMEOJ-UHFFFAOYSA-N 0 2 450.470 4.731 40 5 JJBBLN CCOc1ccc2nc(Sc3ccc([C@H]4[NH2+][C@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1 ZINC000408994625 570095151 /nfs/dbraw/zinc/09/51/51/570095151.db2.gz ZZWPFTCQRHHKFJ-GUYCJALGSA-N 0 2 463.562 4.543 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569361 570204429 /nfs/dbraw/zinc/20/44/29/570204429.db2.gz VYXSHYYRQOVGKY-DPQOWFAMSA-N 0 2 481.911 4.580 40 5 JJBBLN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014270367 555762528 /nfs/dbraw/zinc/76/25/28/555762528.db2.gz UUOJZQNPPFHMGW-UHFFFAOYSA-N 0 2 452.275 4.994 40 5 JJBBLN CCOc1ccc2nc(Sc3ccc([C@@H]4[NH2+][C@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1 ZINC000408994627 570095088 /nfs/dbraw/zinc/09/50/88/570095088.db2.gz ZZWPFTCQRHHKFJ-SUMWQHHRSA-N 0 2 463.562 4.543 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000409325004 570201941 /nfs/dbraw/zinc/20/19/41/570201941.db2.gz WNWWSXBLDJNQCP-ALCCZGGFSA-N 0 2 464.312 4.686 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566221 570203780 /nfs/dbraw/zinc/20/37/80/570203780.db2.gz NHLBAOJETZZZMU-WQWSHVPRSA-N 0 2 481.911 4.580 40 5 JJBBLN O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032116695 556424884 /nfs/dbraw/zinc/42/48/84/556424884.db2.gz UHOUYAJWLPZDMH-UHFFFAOYSA-N 0 2 450.470 4.731 40 5 JJBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000100619335 569765699 /nfs/dbraw/zinc/76/56/99/569765699.db2.gz CPUPBBKPKDIGSV-ILBGXUMGSA-N 0 2 481.512 4.965 40 5 JJBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000037089072 569781406 /nfs/dbraw/zinc/78/14/06/569781406.db2.gz YUAHLMCGKFOWKM-UHFFFAOYSA-N 0 2 452.275 4.994 40 5 JJBBLN COc1c([N+](=O)[O-])cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1[N+](=O)[O-] ZINC000103933738 569839420 /nfs/dbraw/zinc/83/94/20/569839420.db2.gz YEIKKRWIXCXHKJ-UHFFFAOYSA-N 0 2 452.788 4.540 40 5 JJBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)[nH]1 ZINC000409324360 570201823 /nfs/dbraw/zinc/20/18/23/570201823.db2.gz SFZHGOOUJZFZFR-XQRVVYSFSA-N 0 2 464.312 4.686 40 5 JJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408567263 570203991 /nfs/dbraw/zinc/20/39/91/570203991.db2.gz QSEARBKWXWAUDS-DEEGFUGBSA-N 0 2 499.567 4.637 40 5 JJBBLN O=c1[n-]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261365863 570169224 /nfs/dbraw/zinc/16/92/24/570169224.db2.gz VXEGGYIXVZTDJZ-NRFANRHFSA-O 0 2 494.940 4.669 40 5 JJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408564815 570202928 /nfs/dbraw/zinc/20/29/28/570202928.db2.gz FWFHVVXWGGGWBF-DEEGFUGBSA-N 0 2 499.567 4.719 40 5 JJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408564818 570202952 /nfs/dbraw/zinc/20/29/52/570202952.db2.gz FWFHVVXWGGGWBF-HTZSSYRZSA-N 0 2 499.567 4.719 40 5 JJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408567266 570204021 /nfs/dbraw/zinc/20/40/21/570204021.db2.gz QSEARBKWXWAUDS-HTZSSYRZSA-N 0 2 499.567 4.637 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569363 570204418 /nfs/dbraw/zinc/20/44/18/570204418.db2.gz VYXSHYYRQOVGKY-FMNCTDSISA-N 0 2 481.911 4.580 40 5 JJBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570236 570204546 /nfs/dbraw/zinc/20/45/46/570204546.db2.gz ZXLCVJATWVFLRO-WOEHHYBBSA-N 0 2 479.536 4.941 40 5 JJBBLN