smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)c([O-])c(Cl)c1 ZINC000001673020 342707963 /nfs/dbraw/zinc/70/79/63/342707963.db2.gz PXSGFTWBZNPNIC-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 in-vitro BFBARM O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000155127 344568926 /nfs/dbraw/zinc/56/89/26/344568926.db2.gz XUFDYUSOQQYQRL-UHFFFAOYSA-N -1 0 233.179 2.553 50 5 in-vivo BFBARM O=[N+]([O-])c1c(Cl)ccc([O-])c1Cl ZINC000012359093 188279131 /nfs/dbraw/zinc/27/91/31/188279131.db2.gz GLNRZGZHZYONRE-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM CC(C)(C)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000001577732 356966222 /nfs/dbraw/zinc/96/62/22/356966222.db2.gz NJBDTWSOYUZQPM-UHFFFAOYSA-N -1 0 240.215 2.506 50 5 BFBARM O=[N+]([O-])c1ccc([O-])c(C2SCCS2)c1 ZINC000035583886 358004343 /nfs/dbraw/zinc/00/43/43/358004343.db2.gz FUIXIBWXXKRUDP-UHFFFAOYSA-N -1 0 243.309 2.779 50 5 BFBARM O=C([O-])c1nc2ccc(F)cc2c2ncccc12 ZINC000002456139 205457927 /nfs/dbraw/zinc/45/79/27/205457927.db2.gz VEBUAPCUHFQXKI-UHFFFAOYSA-N -1 0 242.209 2.620 50 5 BFBARM O=[N+]([O-])c1cc(Cl)cc(Cl)c1[O-] ZINC000012405073 182921848 /nfs/dbraw/zinc/92/18/48/182921848.db2.gz LYPMXMBQPXPNIQ-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM O=[N+]([O-])c1ccc2c(c1[O-])Cc1ccccc1-2 ZINC000037246054 182942303 /nfs/dbraw/zinc/94/23/03/182942303.db2.gz NKAYMSAPNXUYBD-UHFFFAOYSA-N -1 0 227.219 2.872 50 5 BFBARM CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000013828020 384904098 /nfs/dbraw/zinc/90/40/98/384904098.db2.gz OWZPCEFYPSAJFR-LURJTMIESA-N -1 0 240.215 2.722 50 5 endogenous,in-man BFBARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)[O-])o1 ZINC000000359367 344726777 /nfs/dbraw/zinc/72/67/77/344726777.db2.gz ZHMGMTLVNRVTPW-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001655733 357067584 /nfs/dbraw/zinc/06/75/84/357067584.db2.gz IIPZYDQGBIWLBU-UHFFFAOYSA-N -1 0 240.215 2.506 50 5 in-vitro BFBARM CC(/C=C/c1ccc([N+](=O)[O-])cc1)=C/C(=O)[O-] ZINC000001759119 322810853 /nfs/dbraw/zinc/81/08/53/322810853.db2.gz JGOBGAMTXYHXIO-BVCYWKNDSA-N -1 0 233.223 2.639 50 5 BFBARM O=[N+]([O-])c1ccc(Cl)c(Cl)c1[O-] ZINC000039018712 350328389 /nfs/dbraw/zinc/32/83/89/350328389.db2.gz SJWMPHKDBJQBBJ-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM O=C([O-])c1ccc2oc3ccccc3c(=O)c2c1 ZINC000004369421 182575689 /nfs/dbraw/zinc/57/56/89/182575689.db2.gz JNPRWSKMJDGYAN-UHFFFAOYSA-N -1 0 240.214 2.644 50 5 BFBARM O=C([O-])c1cccc2c(=O)oc3ccccc3c12 ZINC000004746968 634567613 /nfs/dbraw/zinc/56/76/13/634567613.db2.gz ZJQQNTZSEIIVLU-UHFFFAOYSA-N -1 0 240.214 2.644 50 5 BFBARM Cc1c2cc([N+](=O)[O-])ccc2sc1C(=O)[O-] ZINC000000338959 342684043 /nfs/dbraw/zinc/68/40/43/342684043.db2.gz MPHOQACYYKZYIG-UHFFFAOYSA-N -1 0 237.236 2.816 50 5 BFBARM O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000000056966 344097528 /nfs/dbraw/zinc/09/75/28/344097528.db2.gz AUAXYMOBWXOEQD-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM CC(C)(C)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276928 371030835 /nfs/dbraw/zinc/03/08/35/371030835.db2.gz ROOAGYYJHLOOBN-UHFFFAOYSA-N -1 0 238.243 2.503 50 5 BFBARM CCC[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001396300 169346322 /nfs/dbraw/zinc/34/63/22/169346322.db2.gz QURBJKKJAXCORK-SNVBAGLBSA-N -1 0 223.228 2.563 50 5 BFBARM Cc1csc2c1ccc([N+](=O)[O-])c2[O-] ZINC000059481487 386472842 /nfs/dbraw/zinc/47/28/42/386472842.db2.gz BDJHFZNWGVHRIU-UHFFFAOYSA-N -1 0 209.226 2.824 50 5 BFBARM O=[N+]([O-])c1cc([S-])ccc1Br ZINC000002586005 527339849 /nfs/dbraw/zinc/33/98/49/527339849.db2.gz ISRPRXLDLXKKDM-UHFFFAOYSA-N -1 0 234.074 2.646 50 5 BFBARM Cc1cc(Cl)c2c(ccc([O-])c2[N+](=O)[O-])n1 ZINC000000338314 178062454 /nfs/dbraw/zinc/06/24/54/178062454.db2.gz MQONWPXSCSKAJG-UHFFFAOYSA-N -1 0 238.630 2.810 50 5 BFBARM Cc1c(-c2ccc(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000015417059 342896016 /nfs/dbraw/zinc/89/60/16/342896016.db2.gz XFSUBJCFHQQVSJ-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM O=C([O-])c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000000056774 344097541 /nfs/dbraw/zinc/09/75/41/344097541.db2.gz PCIHIUCCINHORT-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000033427600 344708443 /nfs/dbraw/zinc/70/84/43/344708443.db2.gz XKGFCCZEXVIRQH-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM CCCCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003877940 385748521 /nfs/dbraw/zinc/74/85/21/385748521.db2.gz PATRMRVHZVOHEB-UHFFFAOYSA-N -1 0 238.243 2.505 50 5 BFBARM Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1C(=O)[O-] ZINC000001643771 177575861 /nfs/dbraw/zinc/57/58/61/177575861.db2.gz CKBRWDHHPCOFSU-UHFFFAOYSA-N -1 0 223.228 2.527 50 5 BFBARM CC(C)Cc1sc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000000200565 642755070 /nfs/dbraw/zinc/75/50/70/642755070.db2.gz AIKHGYHJDVBUOD-UHFFFAOYSA-N -1 0 229.257 2.553 50 5 BFBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000000161939 182560525 /nfs/dbraw/zinc/56/05/25/182560525.db2.gz ZGSMHACHDULBBY-UHFFFAOYSA-N -1 0 223.209 2.508 50 5 BFBARM O=c1cc([O-])c2ccc3ccccc3c2o1 ZINC000006576436 182995688 /nfs/dbraw/zinc/99/56/88/182995688.db2.gz DYVMMOSLXBYVAQ-UHFFFAOYSA-N -1 0 212.204 2.652 50 5 BFBARM Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000000530150 178322855 /nfs/dbraw/zinc/32/28/55/178322855.db2.gz XZMAYCJHNSAEHS-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM CC(C)(C)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000000173340 344592299 /nfs/dbraw/zinc/59/22/99/344592299.db2.gz QIHHYQWNYKOHEV-UHFFFAOYSA-N -1 0 223.228 2.591 50 5 BFBARM O=[N+]([O-])c1cc2c3c(cccc3c1[O-])CC2 ZINC000036020478 360543411 /nfs/dbraw/zinc/54/34/11/360543411.db2.gz SMFCLZNIYUHNNM-UHFFFAOYSA-N -1 0 215.208 2.552 50 5 BFBARM O=C([O-])c1cc2c(ccc3ccccc32)oc1=O ZINC000000169296 182558871 /nfs/dbraw/zinc/55/88/71/182558871.db2.gz RMHHFZIWCLXRTA-UHFFFAOYSA-N -1 0 240.214 2.644 50 5 BFBARM CC[C@H](C)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000002166236 385855273 /nfs/dbraw/zinc/85/52/73/385855273.db2.gz WJRXGXYMRWUFQF-LURJTMIESA-N -1 0 240.215 2.722 50 5 BFBARM CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000013828017 170803858 /nfs/dbraw/zinc/80/38/58/170803858.db2.gz OWZPCEFYPSAJFR-ZCFIWIBFSA-N -1 0 240.215 2.722 50 5 endogenous,in-man BFBARM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000035333695 357187188 /nfs/dbraw/zinc/18/71/88/357187188.db2.gz ZHQQQRTYWQXNSU-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM O=C(c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035938706 360268821 /nfs/dbraw/zinc/26/88/21/360268821.db2.gz UUPWIFSQHLDLNE-UHFFFAOYSA-N -1 0 243.218 2.531 50 5 BFBARM O=C([O-])c1cc2cccc([N+](=O)[O-])c2s1 ZINC000039410735 360608792 /nfs/dbraw/zinc/60/87/92/360608792.db2.gz DFUCCKMJARLWKG-UHFFFAOYSA-N -1 0 223.209 2.508 50 5 BFBARM CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276762 371030016 /nfs/dbraw/zinc/03/00/16/371030016.db2.gz DQBNOZHZXARJLB-SSDOTTSWSA-N -1 0 238.243 2.503 50 5 BFBARM O=C([O-])c1cc2c(cccc2[N+](=O)[O-])s1 ZINC000082046875 182558245 /nfs/dbraw/zinc/55/82/45/182558245.db2.gz VWBSZLRCSIQTCP-UHFFFAOYSA-N -1 0 223.209 2.508 50 5 BFBARM O=C([O-])c1cccc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000033427633 182575149 /nfs/dbraw/zinc/57/51/49/182575149.db2.gz ZWQRSJSVYWEXHN-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=[N+]([O-])c1cc(SC(F)(F)F)ccc1[O-] ZINC000015442393 182924871 /nfs/dbraw/zinc/92/48/71/182924871.db2.gz NOMKRMHMFZTWBR-UHFFFAOYSA-N -1 0 239.174 2.912 50 5 BFBARM O=C([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003848626 397943783 /nfs/dbraw/zinc/94/37/83/397943783.db2.gz VTIDLRLMTWAWBF-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=C([O-])c1cccc(-c2ccccc2[N+](=O)[O-])c1 ZINC000033427599 344696605 /nfs/dbraw/zinc/69/66/05/344696605.db2.gz MIVOQZYLGZRQHP-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000056965 182560776 /nfs/dbraw/zinc/56/07/76/182560776.db2.gz FXZTYDPWMQBTDH-UHFFFAOYSA-N -1 0 233.179 2.553 50 5 BFBARM COc1ccc(-c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000012504742 175032193 /nfs/dbraw/zinc/03/21/93/175032193.db2.gz LBOZGNDBSCRERA-UHFFFAOYSA-N -1 0 245.234 2.976 50 5 BFBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000168904 344578879 /nfs/dbraw/zinc/57/88/79/344578879.db2.gz LYINHPAEAYJDIR-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1[O-] ZINC000090129997 191023419 /nfs/dbraw/zinc/02/34/19/191023419.db2.gz GAZOASPEAVAGAU-UHFFFAOYSA-N -1 0 241.552 2.973 50 5 BFBARM Cc1c([N+](=O)[O-])cc(C(C)C)c([O-])c1[N+](=O)[O-] ZINC000001866979 358984872 /nfs/dbraw/zinc/98/48/72/358984872.db2.gz XBCVBHKJVWVNID-UHFFFAOYSA-N -1 0 240.215 2.640 50 5 BFBARM CC1CCN(c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000020413277 132331534 /nfs/dbraw/zinc/33/15/34/132331534.db2.gz XLBYPCXKNAUCKD-UHFFFAOYSA-N -1 0 236.271 2.537 50 5 BFBARM CC[C@H](C)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276763 171349636 /nfs/dbraw/zinc/34/96/36/171349636.db2.gz DQBNOZHZXARJLB-ZETCQYMHSA-N -1 0 238.243 2.503 50 5 BFBARM O=C([O-])c1cnc2c3ccccc3ccc2c1O ZINC000011757507 342843212 /nfs/dbraw/zinc/84/32/12/342843212.db2.gz QGOKEDVMXJBTAR-UHFFFAOYSA-N -1 0 239.230 2.792 50 5 in-vitro BFBARM O=[N+]([O-])c1cc(Cl)cc2[nH]nc(Cl)c21 ZINC000014984754 350228865 /nfs/dbraw/zinc/22/88/65/350228865.db2.gz XIWKZNOAASZIJT-UHFFFAOYSA-N -1 0 232.026 2.778 50 5 BFBARM O=[N+]([O-])c1cc(Cl)c(Cl)cc1[O-] ZINC000002007519 359677788 /nfs/dbraw/zinc/67/77/88/359677788.db2.gz CEFFUJIHZMPDID-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM O=C([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000003319047 371951224 /nfs/dbraw/zinc/95/12/24/371951224.db2.gz QKFNYXRBTKWJQW-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM [O-]N=c1c2ccccc2oc2ccccc21 ZINC000004805116 183172772 /nfs/dbraw/zinc/17/27/72/183172772.db2.gz QQUJLONUYMSZIJ-UHFFFAOYSA-N -1 0 211.220 2.876 50 5 BFBARM CCC[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001396299 169468034 /nfs/dbraw/zinc/46/80/34/169468034.db2.gz QURBJKKJAXCORK-JTQLQIEISA-N -1 0 223.228 2.563 50 5 BFBARM O=[N+]([O-])c1cc([O-])c(Cl)c(Cl)c1 ZINC000247356662 385327664 /nfs/dbraw/zinc/32/76/64/385327664.db2.gz XZPYWSMHAVVJNK-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM O=C([O-])C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000036155110 387786779 /nfs/dbraw/zinc/78/67/79/387786779.db2.gz RQTDZONBGWSSKR-UHFFFAOYSA-N -1 0 249.266 2.881 50 5 BFBARM Cc1cc(C(C)(C)C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000019801473 177827230 /nfs/dbraw/zinc/82/72/30/177827230.db2.gz CEBITEVJLATTAL-UHFFFAOYSA-N -1 0 237.255 2.899 50 5 BFBARM CC(C)(C)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000019801483 388748356 /nfs/dbraw/zinc/74/83/56/388748356.db2.gz LGEBVAXTNXQOJC-UHFFFAOYSA-N -1 0 223.228 2.591 50 5 BFBARM Cc1cc([O-])c([N+](=O)[O-])c(C)c1Cl ZINC000036058018 178196677 /nfs/dbraw/zinc/19/66/77/178196677.db2.gz YOTFJCRTPIJJFX-UHFFFAOYSA-N -1 0 201.609 2.571 50 5 BFBARM O=[N+]([O-])c1cc2oc(=S)[n-]c2cc1Cl ZINC000033559599 344845825 /nfs/dbraw/zinc/84/58/25/344845825.db2.gz WIXQCWJAPLYTMK-UHFFFAOYSA-N -1 0 230.632 2.678 50 5 BFBARM O=C([O-])c1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000039151303 187773824 /nfs/dbraw/zinc/77/38/24/187773824.db2.gz ZEBINUQQXMHHJE-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1C ZINC000036532891 178061424 /nfs/dbraw/zinc/06/14/24/178061424.db2.gz LMTRWXYYWXXVHD-UHFFFAOYSA-N -1 0 201.609 2.571 50 5 BFBARM O=C([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000266881 344666085 /nfs/dbraw/zinc/66/60/85/344666085.db2.gz XWQLGLUTQIKSAJ-UHFFFAOYSA-N -1 0 233.179 2.553 50 5 BFBARM O=C([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000000300832 344682122 /nfs/dbraw/zinc/68/21/22/344682122.db2.gz TXZVRLLCMSPNOH-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM CC(C)(C)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000000345409 188099782 /nfs/dbraw/zinc/09/97/82/188099782.db2.gz WVADEHDXGNQZNV-UHFFFAOYSA-N -1 0 223.228 2.591 50 5 BFBARM O=[N+]([O-])c1cc(-c2ccccc2)ccc1[O-] ZINC000035575724 188111329 /nfs/dbraw/zinc/11/13/29/188111329.db2.gz JDDNJJBXFOLPKX-UHFFFAOYSA-N -1 0 215.208 2.967 50 5 BFBARM O=[N+]([O-])c1cc(Cl)c([O-])c2ncccc12 ZINC000001432257 353746216 /nfs/dbraw/zinc/74/62/16/353746216.db2.gz VNHOFPGOOLRCLG-UHFFFAOYSA-N -1 0 224.603 2.502 50 5 BFBARM O=C([O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000032169655 182554535 /nfs/dbraw/zinc/55/45/35/182554535.db2.gz SUHYJVCHLDIPIY-UHFFFAOYSA-N -1 0 236.010 2.600 50 5 BFBARM O=[N+]([O-])c1cc([O-])c(Cl)cc1Cl ZINC000002598116 182924739 /nfs/dbraw/zinc/92/47/39/182924739.db2.gz OFAPWTOOMSVMIU-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM O=[N+]([O-])c1c([O-])cccc1OCc1ccccc1 ZINC000095494805 388777344 /nfs/dbraw/zinc/77/73/44/388777344.db2.gz YJKYCRSONHRGJN-UHFFFAOYSA-N -1 0 245.234 2.879 50 5 BFBARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)[O-])o1 ZINC000000554515 178271942 /nfs/dbraw/zinc/27/19/42/178271942.db2.gz MOEXDNQYXBIZPC-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM O=C([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000047212062 343559244 /nfs/dbraw/zinc/55/92/44/343559244.db2.gz BIVASMLLEKRCTH-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=C([O-])c1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000000240967 344656879 /nfs/dbraw/zinc/65/68/79/344656879.db2.gz OBCFFNURIFARKS-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM O=C([O-])c1cc2ccc([N+](=O)[O-])cc2s1 ZINC000034581878 347087490 /nfs/dbraw/zinc/08/74/90/347087490.db2.gz OQHZMCSQBFHZNU-UHFFFAOYSA-N -1 0 223.209 2.508 50 5 BFBARM O=[N+]([O-])c1cc(Cc2ccccc2)ccc1[O-] ZINC000037062626 361622380 /nfs/dbraw/zinc/62/23/80/361622380.db2.gz NDIBMYMEBYRTTJ-UHFFFAOYSA-N -1 0 229.235 2.891 50 5 BFBARM O=[N+]([O-])c1ccc([O-])c(Cc2ccccc2)c1 ZINC000020268444 371255941 /nfs/dbraw/zinc/25/59/41/371255941.db2.gz LPZJACDNYUKILW-UHFFFAOYSA-N -1 0 229.235 2.891 50 5 BFBARM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000037684876 167338418 /nfs/dbraw/zinc/33/84/18/167338418.db2.gz FZIWBBRQFPNHAV-UHFFFAOYSA-N -1 0 241.268 2.794 50 5 BFBARM O=[N+]([O-])c1cc(Cl)c([O-])cc1Cl ZINC000005783838 350593121 /nfs/dbraw/zinc/59/31/21/350593121.db2.gz BWQWBOCFVUBGEF-UHFFFAOYSA-N -1 0 208.000 2.607 50 5 BFBARM Cc1c(Cl)c([O-])c(Cl)cc1[N+](=O)[O-] ZINC000015810050 356174037 /nfs/dbraw/zinc/17/40/37/356174037.db2.gz BIXNDXIFMLMASZ-UHFFFAOYSA-N -1 0 222.027 2.916 50 5 BFBARM Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000006508845 359779255 /nfs/dbraw/zinc/77/92/55/359779255.db2.gz NYDVRCWYKBDUMJ-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM O=C([O-])c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000022201654 182580669 /nfs/dbraw/zinc/58/06/69/182580669.db2.gz LGZSDFBCFHDCKP-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM CC(C)(C)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000261494000 384333360 /nfs/dbraw/zinc/33/33/60/384333360.db2.gz NWCWFNOXNHLQIA-UHFFFAOYSA-N -1 0 223.228 2.591 50 5 BFBARM O=C([O-])c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000001556569 387115588 /nfs/dbraw/zinc/11/55/88/387115588.db2.gz IVKKQTQLZURECG-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM CC[C@@H](C)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000002166234 170803223 /nfs/dbraw/zinc/80/32/23/170803223.db2.gz WJRXGXYMRWUFQF-ZCFIWIBFSA-N -1 0 240.215 2.722 50 5 BFBARM Cc1ccc(-c2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000000057026 178323266 /nfs/dbraw/zinc/32/32/66/178323266.db2.gz UNSSRIPGQQOYLI-UHFFFAOYSA-N -1 0 247.206 2.861 50 5 BFBARM O=[N+]([O-])c1cc(OCc2ccccc2)ccc1[O-] ZINC000025664219 353038017 /nfs/dbraw/zinc/03/80/17/353038017.db2.gz VRYYLYCOPKQGPS-UHFFFAOYSA-N -1 0 245.234 2.879 50 5 in-vitro BFBARM O=[N+]([O-])c1ccc(-c2ccccc2)cc1[O-] ZINC000036127397 360633052 /nfs/dbraw/zinc/63/30/52/360633052.db2.gz HYPKGPVDQYUOSV-UHFFFAOYSA-N -1 0 215.208 2.967 50 5 BFBARM O=C([O-])c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000022201642 371524484 /nfs/dbraw/zinc/52/44/84/371524484.db2.gz KJHPQSSQEOOQMU-UHFFFAOYSA-N -1 0 243.218 2.960 50 5 BFBARM