smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])c(S[C@H](C)C(=O)[O-])n1 ZINC000000080921 358391900 /nfs/dbraw/zinc/39/19/00/358391900.db2.gz LFZCKGHKKKCAMI-RXMQYKEDSA-N -1 0 258.255 1.564 50 5 CDBARM O=C([O-])c1cc(C(=O)Nc2ncccn2)cc([N+](=O)[O-])c1 ZINC000002727951 304223509 /nfs/dbraw/zinc/22/35/09/304223509.db2.gz CDGYXLZVIVMWQN-UHFFFAOYSA-N -1 0 288.219 1.335 50 5 CDBARM O=C([O-])c1cc(I)cc([N+](=O)[O-])c1 ZINC000001672185 304225556 /nfs/dbraw/zinc/22/55/56/304225556.db2.gz GFGURBBHVJTXDU-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004499261 304227481 /nfs/dbraw/zinc/22/74/81/304227481.db2.gz ALPZXIQZJZRDFI-UHFFFAOYSA-N -1 0 297.223 1.038 50 5 CDBARM O=C([O-])CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002167914 169778548 /nfs/dbraw/zinc/77/85/48/169778548.db2.gz LBLRATLCTKTLKB-UHFFFAOYSA-N -1 0 270.216 1.927 50 5 CDBARM O=C([O-])CCn1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000002537834 169805366 /nfs/dbraw/zinc/80/53/66/169805366.db2.gz PNTHOGCMEJAGNP-UHFFFAOYSA-N -1 0 253.136 1.285 50 5 CDBARM C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000040545255 174324512 /nfs/dbraw/zinc/32/45/12/174324512.db2.gz XSCVYCGATHCQFJ-ZCFIWIBFSA-N -1 0 253.214 1.189 50 5 biogenic,in-vitro CDBARM CC[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000002537839 355974590 /nfs/dbraw/zinc/97/45/90/355974590.db2.gz JIHPLKCSWVVOEC-SCSAIBSYSA-N -1 0 267.163 1.846 50 5 CDBARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000002164733 367683468 /nfs/dbraw/zinc/68/34/68/367683468.db2.gz POKXHZCYWHLENN-SNAWJCMRSA-N -1 0 250.210 1.483 50 5 CDBARM O=[N+]([O-])c1cc(Br)ccc1[S@](=O)[O-] ZINC000675062127 541980117 /nfs/dbraw/zinc/98/01/17/541980117.db2.gz GRQQMBZPRCUUSC-UHFFFAOYSA-N -1 0 266.072 1.938 50 5 CDBARM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000035407403 172178445 /nfs/dbraw/zinc/17/84/45/172178445.db2.gz AGHYCQKOMGHZNX-ZCFIWIBFSA-N -1 0 253.214 1.189 50 5 CDBARM O=[N+]([O-])c1cccc([O-])c1I ZINC000038880337 304806799 /nfs/dbraw/zinc/80/67/99/304806799.db2.gz BFXOSMOZBIBXHU-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM COc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000164802216 536499319 /nfs/dbraw/zinc/49/93/19/536499319.db2.gz PVEHFFINWSOWAG-YUMQZZPRSA-N -1 0 296.279 1.442 50 5 CDBARM O=C(Cn1cccn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097232640 358048565 /nfs/dbraw/zinc/04/85/65/358048565.db2.gz QFAWJKKOJHRIBD-UHFFFAOYSA-N -1 0 296.670 1.789 50 5 CDBARM O=c1[n-]c(SCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000194640860 358529028 /nfs/dbraw/zinc/52/90/28/358529028.db2.gz YEYXBZJOVYQOCA-UHFFFAOYSA-N -1 0 266.282 1.753 50 5 CDBARM O=C([O-])[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000004237845 304174756 /nfs/dbraw/zinc/17/47/56/304174756.db2.gz JVYAJIFDTIREQQ-ZETCQYMHSA-N -1 0 250.210 1.032 50 5 CDBARM CCCCn1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000002341609 373763737 /nfs/dbraw/zinc/76/37/37/373763737.db2.gz SBZYJZQXPGLLLZ-UHFFFAOYSA-N -1 0 280.244 1.227 50 5 CDBARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040546067 304185305 /nfs/dbraw/zinc/18/53/05/304185305.db2.gz SGIVVTVUZFXDFU-SNVBAGLBSA-N -1 0 279.252 1.676 50 5 CDBARM CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000008329189 184532989 /nfs/dbraw/zinc/53/29/89/184532989.db2.gz HYITYPXZLVFUDO-UHFFFAOYSA-N -1 0 274.298 1.331 50 5 CDBARM O=C([O-])c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000013079634 304246498 /nfs/dbraw/zinc/24/64/98/304246498.db2.gz XPWZWQDPXCVKOL-UHFFFAOYSA-N -1 0 266.253 1.254 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C(=O)[O-] ZINC000004992015 170051233 /nfs/dbraw/zinc/05/12/33/170051233.db2.gz XNBQISQCUQYJKW-SNAWJCMRSA-N -1 0 250.210 1.483 50 5 CDBARM O=c1[nH]c(C=Cc2cccc(F)c2)nc([O-])c1[N+](=O)[O-] ZINC000009010332 170361378 /nfs/dbraw/zinc/36/13/78/170361378.db2.gz XRZBOMUSLBFFEE-PLNGDYQASA-N -1 0 277.211 1.693 50 5 CDBARM Nc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013817968 684790433 /nfs/dbraw/zinc/79/04/33/684790433.db2.gz KOIVUWVUUSPAKL-UHFFFAOYSA-N -1 0 293.304 1.978 50 5 CDBARM CN(CC1(O)CCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119346935 357442896 /nfs/dbraw/zinc/44/28/96/357442896.db2.gz NTFTUHIUJFFXRO-UHFFFAOYSA-N -1 0 294.307 1.678 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2n[nH]cc2C1 ZINC000097112378 357987573 /nfs/dbraw/zinc/98/75/73/357987573.db2.gz VKWDVGIXSRBMMA-UHFFFAOYSA-N -1 0 288.263 1.222 50 5 CDBARM O=C([O-])CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000155065 359152663 /nfs/dbraw/zinc/15/26/63/359152663.db2.gz NZLOFCLTCZFBJU-UHFFFAOYSA-N -1 0 252.226 1.788 50 5 CDBARM Cc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-] ZINC000000032990 390679297 /nfs/dbraw/zinc/67/92/97/390679297.db2.gz XCCZFOBFTQIDBX-WPRPVWTQSA-N -1 0 268.294 1.691 50 5 CDBARM O=C([O-])c1cc2[nH]nc(Br)c2c([N+](=O)[O-])c1 ZINC000014983796 260084508 /nfs/dbraw/zinc/08/45/08/260084508.db2.gz XDVGNMVCHCUSLI-UHFFFAOYSA-N -1 0 286.041 1.932 50 5 CDBARM O=C([O-])Cc1cccc(Br)c1[N+](=O)[O-] ZINC000202458066 1159479795 /nfs/dbraw/zinc/47/97/95/1159479795.db2.gz YZHIDRWIMKSVGV-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000019979731 374832465 /nfs/dbraw/zinc/83/24/65/374832465.db2.gz POEMRFUPSCRXHF-VIFPVBQESA-N -1 0 293.279 1.923 50 5 CDBARM CCOC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000002173000 169779718 /nfs/dbraw/zinc/77/97/18/169779718.db2.gz QMOOAMHDJPCNKC-UHFFFAOYSA-N -1 0 254.198 1.861 50 5 CDBARM O=C1CCCN1c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000012504793 170490979 /nfs/dbraw/zinc/49/09/79/170490979.db2.gz WWDVYDJZGRUNNG-UHFFFAOYSA-N -1 0 267.197 1.335 50 5 CDBARM CS(=O)(=O)[N-]c1cccc(Br)c1[N+](=O)[O-] ZINC001772572483 1159118093 /nfs/dbraw/zinc/11/80/93/1159118093.db2.gz USUQXKDYDOPQRP-UHFFFAOYSA-N -1 0 295.114 1.729 50 5 CDBARM O=C(NCc1ncccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000096012464 185065700 /nfs/dbraw/zinc/06/57/00/185065700.db2.gz LCBNRSXSCHONFI-UHFFFAOYSA-N -1 0 291.238 1.765 50 5 CDBARM O=[N+]([O-])c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000096034520 185067860 /nfs/dbraw/zinc/06/78/60/185067860.db2.gz CAXSPTPOESKZMR-UHFFFAOYSA-N -1 0 270.188 1.856 50 5 CDBARM O=C(CCn1cccn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531025 360357711 /nfs/dbraw/zinc/35/77/11/360357711.db2.gz DVOPLSHIFUJUDL-UHFFFAOYSA-N -1 0 276.252 1.526 50 5 CDBARM O=C([O-])[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000314375 304118844 /nfs/dbraw/zinc/11/88/44/304118844.db2.gz DAFGBJNYNSYTIU-MNOVXSKESA-N -1 0 299.304 1.622 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12 ZINC000005347338 304151499 /nfs/dbraw/zinc/15/14/99/304151499.db2.gz ANESJQQRIFXIQS-ZYHUDNBSSA-N -1 0 262.265 1.821 50 5 CDBARM O=C(NC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279731318 374954090 /nfs/dbraw/zinc/95/40/90/374954090.db2.gz JIBHPVYRZOPRNO-MRVPVSSYSA-N -1 0 282.321 1.783 50 5 CDBARM CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]c1=S ZINC000002573486 375247103 /nfs/dbraw/zinc/24/71/03/375247103.db2.gz UXYOJOIAWHHPQO-UHFFFAOYSA-N -1 0 296.356 1.925 50 5 CDBARM C[C@H]1CCOCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119727165 412147649 /nfs/dbraw/zinc/14/76/49/412147649.db2.gz ULJTUDBKOKGTEZ-VIFPVBQESA-N -1 0 280.280 1.551 50 5 CDBARM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC000015443257 300298161 /nfs/dbraw/zinc/29/81/61/300298161.db2.gz UIPNFRABNZPIBW-IUCAKERBSA-N -1 0 280.280 1.907 50 5 CDBARM CC[C@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000095970159 185048813 /nfs/dbraw/zinc/04/88/13/185048813.db2.gz IMBUAWRUGSEIQE-WRWORJQWSA-N -1 0 295.295 1.406 50 5 CDBARM O=[N+]([O-])c1cccc(CS(=O)(=O)c2ncc[n-]2)c1 ZINC000178115743 362239013 /nfs/dbraw/zinc/23/90/13/362239013.db2.gz NZMIQFOHYAKLMV-UHFFFAOYSA-N -1 0 267.266 1.292 50 5 CDBARM Cc1nn(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014248765 366141054 /nfs/dbraw/zinc/14/10/54/366141054.db2.gz KGAZKQIHGPWNKR-UHFFFAOYSA-N -1 0 296.308 1.438 50 5 CDBARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000369595 355907240 /nfs/dbraw/zinc/90/72/40/355907240.db2.gz DPFVSVGVJVQKSP-WDEREUQCSA-N -1 0 296.304 1.642 50 5 CDBARM CC(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000033304771 356798636 /nfs/dbraw/zinc/79/86/36/356798636.db2.gz WXJKFHSOMYAKSR-POHAHGRESA-N -1 0 250.210 1.156 50 5 CDBARM C[NH+]1CCN(Cc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000019608755 374763104 /nfs/dbraw/zinc/76/31/04/374763104.db2.gz WITWBEOHGAFFOA-UHFFFAOYSA-N -1 0 251.286 1.048 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1NCCc1c[nH]cn1 ZINC000019938812 374828675 /nfs/dbraw/zinc/82/86/75/374828675.db2.gz UPIZWJWISGSJLO-UHFFFAOYSA-N -1 0 276.252 1.671 50 5 CDBARM COc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000002546068 375203861 /nfs/dbraw/zinc/20/38/61/375203861.db2.gz JANBLAADNZANNL-ZCFIWIBFSA-N -1 0 269.209 1.268 50 5 CDBARM C[C@@H](O)CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000042783888 379635640 /nfs/dbraw/zinc/63/56/40/379635640.db2.gz HTTOYWKIDXAZTD-SSDOTTSWSA-N -1 0 254.242 1.476 50 5 CDBARM Cn1ccnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052537 390664798 /nfs/dbraw/zinc/66/47/98/390664798.db2.gz YLMZPJDUEZPJRU-UHFFFAOYSA-N -1 0 290.279 1.006 50 5 CDBARM CC[C@@H](COC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119025190 423848573 /nfs/dbraw/zinc/84/85/73/423848573.db2.gz VTZMZZVGJNTEPR-VIFPVBQESA-N -1 0 268.269 1.455 50 5 CDBARM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000005749684 357874445 /nfs/dbraw/zinc/87/44/45/357874445.db2.gz IMLJLBJMSKWFBQ-UHFFFAOYSA-N -1 0 292.251 1.432 50 5 CDBARM O=C([O-])[C@@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000000077901 358251660 /nfs/dbraw/zinc/25/16/60/358251660.db2.gz WHEHQPOUIXMETN-DTWKUNHWSA-N -1 0 254.267 1.383 50 5 CDBARM COC(=O)Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000100129714 358820705 /nfs/dbraw/zinc/82/07/05/358820705.db2.gz WPWBFDCVMKGIHE-UHFFFAOYSA-N -1 0 277.236 1.202 50 5 CDBARM Cc1cnn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000017022338 367007685 /nfs/dbraw/zinc/00/76/85/367007685.db2.gz PQUKVGGCXJNBRV-UHFFFAOYSA-N -1 0 290.279 1.834 50 5 CDBARM O=C(Nc1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002741770 375309160 /nfs/dbraw/zinc/30/91/60/375309160.db2.gz GHIWEJDFSBLCBI-UHFFFAOYSA-N -1 0 268.620 1.014 50 5 CDBARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000031843550 375841373 /nfs/dbraw/zinc/84/13/73/375841373.db2.gz POKXHZCYWHLENN-PLNGDYQASA-N -1 0 250.210 1.483 50 5 CDBARM COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(OC)c1C(=O)[O-] ZINC000003139054 393232065 /nfs/dbraw/zinc/23/20/65/393232065.db2.gz MCXWCHWYDUPCIT-UHFFFAOYSA-N -1 0 272.169 1.218 50 5 CDBARM C[C@@H]1CCOCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119727012 412121121 /nfs/dbraw/zinc/12/11/21/412121121.db2.gz ULJTUDBKOKGTEZ-SECBINFHSA-N -1 0 280.280 1.551 50 5 CDBARM Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036284009 732429890 /nfs/dbraw/zinc/42/98/90/732429890.db2.gz FIHIRTMLAHQAQD-UHFFFAOYSA-N -1 0 293.304 1.978 50 5 CDBARM O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1S(=O)(=O)[O-] ZINC000002170647 367852527 /nfs/dbraw/zinc/85/25/27/367852527.db2.gz ZASUMZAIIASPCF-UHFFFAOYSA-N -1 0 282.617 1.403 50 5 CDBARM CCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000670417726 482935092 /nfs/dbraw/zinc/93/50/92/482935092.db2.gz MCHIAFPYMIVBFP-UHFFFAOYSA-N -1 0 255.186 1.633 50 5 CDBARM O=[N+]([O-])c1ccc(Br)c([S@](=O)[O-])c1 ZINC000675060899 539084543 /nfs/dbraw/zinc/08/45/43/539084543.db2.gz NDGYBOJWMPDSLH-UHFFFAOYSA-N -1 0 266.072 1.938 50 5 CDBARM O=C([O-])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000060276646 356908107 /nfs/dbraw/zinc/90/81/07/356908107.db2.gz DDSUIEKXBYCNFR-UHFFFAOYSA-N -1 0 258.617 1.063 50 5 CDBARM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000003877614 364769997 /nfs/dbraw/zinc/76/99/97/364769997.db2.gz MPWLEWUMPDWNFL-SSDOTTSWSA-N -1 0 269.213 1.778 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000003886302 364992961 /nfs/dbraw/zinc/99/29/61/364992961.db2.gz ZSODAIZBVSEAPW-UHFFFAOYSA-N -1 0 266.238 1.562 50 5 CDBARM O=C([O-])CCCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000226795383 189778531 /nfs/dbraw/zinc/77/85/31/189778531.db2.gz NBLACKDZCRBGPC-UHFFFAOYSA-N -1 0 292.247 1.978 50 5 CDBARM CCOC(=O)Nc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000216759056 375467846 /nfs/dbraw/zinc/46/78/46/375467846.db2.gz SVKQUBJCAOYBRJ-UHFFFAOYSA-N -1 0 254.198 1.861 50 5 CDBARM O=C([O-])c1ccn(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000012395472 304272526 /nfs/dbraw/zinc/27/25/26/304272526.db2.gz LQULXIZZTARLFO-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000015443061 134694388 /nfs/dbraw/zinc/69/43/88/134694388.db2.gz JKTHVFRONFGBAF-QMMMGPOBSA-N -1 0 251.242 1.291 50 5 CDBARM CCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC ZINC000005923813 170155812 /nfs/dbraw/zinc/15/58/12/170155812.db2.gz LRLFEGMYOBTSIO-UHFFFAOYSA-N -1 0 260.271 1.365 50 5 CDBARM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000015443606 300298137 /nfs/dbraw/zinc/29/81/37/300298137.db2.gz VWTUGTCIUKZKLA-IUCAKERBSA-N -1 0 280.280 1.907 50 5 CDBARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])c([N+](=O)[O-])c1 ZINC000031777351 367011343 /nfs/dbraw/zinc/01/13/43/367011343.db2.gz KPULDRWQUXVEGP-PLNGDYQASA-N -1 0 250.210 1.483 50 5 CDBARM Cc1nonc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080341340 374461130 /nfs/dbraw/zinc/46/11/30/374461130.db2.gz KAPSVVSCNCVJOD-UHFFFAOYSA-N -1 0 284.253 1.087 50 5 CDBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000041602838 304230446 /nfs/dbraw/zinc/23/04/46/304230446.db2.gz CTLNUURLOJIYGC-UHFFFAOYSA-N -1 0 260.205 1.648 50 5 CDBARM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006850616 170248920 /nfs/dbraw/zinc/24/89/20/170248920.db2.gz AGHYCQKOMGHZNX-LURJTMIESA-N -1 0 253.214 1.189 50 5 CDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC[C@@H]1CCCO1 ZINC000037226504 173046684 /nfs/dbraw/zinc/04/66/84/173046684.db2.gz BZJQHIABMUYYRN-QMMMGPOBSA-N -1 0 297.263 1.859 50 5 CDBARM C[C@H](C(=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000000809803 298217272 /nfs/dbraw/zinc/21/72/72/298217272.db2.gz NYTKWHBITYKXRB-ZCFIWIBFSA-N -1 0 250.210 1.024 50 5 CDBARM CCc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])on1 ZINC000096481515 529528599 /nfs/dbraw/zinc/52/85/99/529528599.db2.gz BPGZZBNHKILDBG-UHFFFAOYSA-N -1 0 291.263 1.781 50 5 CDBARM C[C@@H](O)CCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119121577 357287652 /nfs/dbraw/zinc/28/76/52/357287652.db2.gz BBSMEOMKDASPEK-MRVPVSSYSA-N -1 0 268.269 1.143 50 5 CDBARM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)s2)n1 ZINC000002771017 375322230 /nfs/dbraw/zinc/32/22/30/375322230.db2.gz GNVIQKDHNJIGIE-UHFFFAOYSA-N -1 0 294.296 1.310 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Cl)c2)[nH]1 ZINC000030840538 375680052 /nfs/dbraw/zinc/68/00/52/375680052.db2.gz NJFTZSDGBXWXJT-PLNGDYQASA-N -1 0 293.666 1.795 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])cc(F)c1N1CCOCC1 ZINC000004179127 304227771 /nfs/dbraw/zinc/22/77/71/304227771.db2.gz MWCPEESLFSCAGB-UHFFFAOYSA-N -1 0 270.216 1.269 50 5 CDBARM O=C([O-])c1cccn(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000390823818 304271722 /nfs/dbraw/zinc/27/17/22/304271722.db2.gz FUIJYCKOHMZKNT-UHFFFAOYSA-N -1 0 260.205 1.444 50 5 CDBARM Cn1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000097101029 397966854 /nfs/dbraw/zinc/96/68/54/397966854.db2.gz IEDITPNOHZZWMP-UHFFFAOYSA-N -1 0 276.252 1.215 50 5 CDBARM O=C(NCCc1nccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097231 397959064 /nfs/dbraw/zinc/95/90/64/397959064.db2.gz MBLAUBJJSOOKQY-UHFFFAOYSA-N -1 0 293.304 1.729 50 5 CDBARM O=C(NCCn1cccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000089878815 179875439 /nfs/dbraw/zinc/87/54/39/179875439.db2.gz VCCOJZKAOIOSOQ-UHFFFAOYSA-N -1 0 275.264 1.532 50 5 CDBARM Cc1ccc(S(=O)(=O)[N-]c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000090230732 367027555 /nfs/dbraw/zinc/02/75/55/367027555.db2.gz ZWYUFQIAFLTYGK-UHFFFAOYSA-N -1 0 282.281 1.427 50 5 CDBARM O=C([O-])c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000011920107 374471601 /nfs/dbraw/zinc/47/16/01/374471601.db2.gz XAZGBADMKOHGBD-UHFFFAOYSA-N -1 0 274.232 1.503 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1I ZINC000002559907 304227926 /nfs/dbraw/zinc/22/79/26/304227926.db2.gz JSSFIFUXHORXJX-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM O=C([O-])CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004058739 256872250 /nfs/dbraw/zinc/87/22/50/256872250.db2.gz XSSZEVXYIHNWQO-UHFFFAOYSA-N -1 0 255.186 1.390 50 5 CDBARM Cn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000116659 303067650 /nfs/dbraw/zinc/06/76/50/303067650.db2.gz GLNHJEFZYREVRR-UHFFFAOYSA-N -1 0 282.281 1.129 50 5 CDBARM Nc1ncnc([N-]c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000004059575 230368053 /nfs/dbraw/zinc/36/80/53/230368053.db2.gz JVCIWVAWDASKJR-UHFFFAOYSA-N -1 0 276.212 1.619 50 5 CDBARM O=C([O-])CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001631091 370242760 /nfs/dbraw/zinc/24/27/60/370242760.db2.gz MTLNHDZIBNYGRT-UHFFFAOYSA-N -1 0 252.226 1.189 50 5 CDBARM O=C([O-])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000003227269 375594291 /nfs/dbraw/zinc/59/42/91/375594291.db2.gz PRWPLPRKTNKHKP-UHFFFAOYSA-N -1 0 258.617 1.063 50 5 CDBARM O=c1oc2ccc([N+](=O)[O-])cc2c([O-])c1[N+](=O)[O-] ZINC000006322678 304819723 /nfs/dbraw/zinc/81/97/23/304819723.db2.gz CEVVPXAFAUWIMW-UHFFFAOYSA-N -1 0 252.138 1.315 50 5 CDBARM Nc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000036284007 755916641 /nfs/dbraw/zinc/91/66/41/755916641.db2.gz PVHBYROCESGMQU-UHFFFAOYSA-N -1 0 293.304 1.978 50 5 CDBARM COC(=O)CSc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003168157 375570696 /nfs/dbraw/zinc/57/06/96/375570696.db2.gz DNABWMHRCJOORH-UHFFFAOYSA-N -1 0 271.250 1.558 50 5 CDBARM CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000071771191 176262364 /nfs/dbraw/zinc/26/23/64/176262364.db2.gz MMZPADNGCUNTPT-UHFFFAOYSA-N -1 0 253.210 1.858 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000015443601 297079533 /nfs/dbraw/zinc/07/95/33/297079533.db2.gz VWTUGTCIUKZKLA-RKDXNWHRSA-N -1 0 280.280 1.907 50 5 CDBARM Cc1c([N+](=O)[O-])cc(C(=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000670425887 482951981 /nfs/dbraw/zinc/95/19/81/482951981.db2.gz HMMJAHNUHPZZIS-UHFFFAOYSA-N -1 0 271.141 1.418 50 5 CDBARM Nc1c(Br)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000074937729 365925278 /nfs/dbraw/zinc/92/52/78/365925278.db2.gz JCSIZMVUEBODFZ-UHFFFAOYSA-N -1 0 261.031 1.638 50 5 CDBARM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119371749 357838209 /nfs/dbraw/zinc/83/82/09/357838209.db2.gz HYCGMXIDGBSXIK-MFKMUULPSA-N -1 0 294.307 1.988 50 5 CDBARM O=C(NCCOC1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000121315914 358870791 /nfs/dbraw/zinc/87/07/91/358870791.db2.gz CUMZTTLGEDKWNN-UHFFFAOYSA-N -1 0 294.307 1.989 50 5 CDBARM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000089606778 366882948 /nfs/dbraw/zinc/88/29/48/366882948.db2.gz LMJBKVAKCSMKOC-UHFFFAOYSA-N -1 0 289.294 1.754 50 5 CDBARM COC(=O)c1ccc(NCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004668831 169996103 /nfs/dbraw/zinc/99/61/03/169996103.db2.gz DRPJJWSTFQFHKU-UHFFFAOYSA-N -1 0 268.225 1.268 50 5 CDBARM Cc1cc(C)c(NC(=O)/C=C\C(=O)[O-])c([N+](=O)[O-])c1 ZINC000033712612 301185232 /nfs/dbraw/zinc/18/52/32/301185232.db2.gz AIGOSUULOHPKMF-ARJAWSKDSA-N -1 0 264.237 1.791 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)s1 ZINC000090230760 179935942 /nfs/dbraw/zinc/93/59/42/179935942.db2.gz NRMRQMGZGVGTFR-UHFFFAOYSA-N -1 0 274.283 1.180 50 5 CDBARM O=C([O-])CCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003905407 365346573 /nfs/dbraw/zinc/34/65/73/365346573.db2.gz LMSRGFUQIZTZKK-UHFFFAOYSA-N -1 0 278.220 1.588 50 5 CDBARM O=C(NC1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000035362632 391218696 /nfs/dbraw/zinc/21/86/96/391218696.db2.gz NIPVJPBRODOVKO-UHFFFAOYSA-N -1 0 250.254 1.973 50 5 CDBARM CC(=O)Oc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000003159903 278222598 /nfs/dbraw/zinc/22/25/98/278222598.db2.gz BRXSQDQXBBSUSN-UHFFFAOYSA-N -1 0 259.601 1.872 50 5 CDBARM C[C@H]1Cc2cccc3c2n1c(=O)c1c([O-])cc(=O)oc31 ZINC000006556268 300545794 /nfs/dbraw/zinc/54/57/94/300545794.db2.gz FHMBSXJPLDOCKT-ZETCQYMHSA-N -1 0 269.256 1.931 50 5 CDBARM O=[N+]([O-])c1ccc(I)cc1[O-] ZINC000034224533 304802905 /nfs/dbraw/zinc/80/29/05/304802905.db2.gz NWDXJGPGCDHUJO-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036297377 342060102 /nfs/dbraw/zinc/06/01/02/342060102.db2.gz NSOBZEQTVMSDKT-UHFFFAOYSA-N -1 0 293.304 1.978 50 5 CDBARM O=C(NCC[C@@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119785123 359017031 /nfs/dbraw/zinc/01/70/31/359017031.db2.gz IKTYGSHSLUAECH-NSHDSACASA-N -1 0 294.307 1.989 50 5 CDBARM Cc1ccc(Cn2nc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000000368960 359589713 /nfs/dbraw/zinc/58/97/13/359589713.db2.gz BEWYIEFDAZKWCF-UHFFFAOYSA-N -1 0 261.237 1.846 50 5 CDBARM Nc1nc([O-])c(Sc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000005071723 360168944 /nfs/dbraw/zinc/16/89/44/360168944.db2.gz WGPCNWAIOHJDGG-UHFFFAOYSA-N -1 0 280.265 1.117 50 5 CDBARM O=C([O-])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000015443210 304110781 /nfs/dbraw/zinc/11/07/81/304110781.db2.gz ZJSIMOSUXMPINC-SECBINFHSA-N -1 0 250.254 1.896 50 5 CDBARM COC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000280171978 374986951 /nfs/dbraw/zinc/98/69/51/374986951.db2.gz VFFJCTOQCMPRMP-UHFFFAOYSA-N -1 0 294.263 1.078 50 5 CDBARM CN(CC(=O)[O-])c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000034991 169511837 /nfs/dbraw/zinc/51/18/37/169511837.db2.gz UEFPTOKOQARXST-UHFFFAOYSA-N -1 0 267.266 1.725 50 5 CDBARM COc1cc(C(=O)[O-])c(NC(C)=O)cc1[N+](=O)[O-] ZINC000042684197 294944683 /nfs/dbraw/zinc/94/46/83/294944683.db2.gz QWIICWOSUUZYES-UHFFFAOYSA-N -1 0 254.198 1.260 50 5 CDBARM COc1ccc([N+](=O)[O-])c2c(=O)cc(C(=O)[O-])oc12 ZINC000000381744 295254757 /nfs/dbraw/zinc/25/47/57/295254757.db2.gz LFEJMAXMQJDPLO-UHFFFAOYSA-N -1 0 265.177 1.408 50 5 CDBARM O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000001555313 304800945 /nfs/dbraw/zinc/80/09/45/304800945.db2.gz ALVPDCHBQRCKRQ-UHFFFAOYSA-N -1 0 282.617 1.403 50 5 CDBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000019991903 227362918 /nfs/dbraw/zinc/36/29/18/227362918.db2.gz CTAHUEVTRDBKHX-JTQLQIEISA-N -1 0 252.226 1.418 50 5 CDBARM Cn1nccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097839 375147802 /nfs/dbraw/zinc/14/78/02/375147802.db2.gz KVFVJZIELZTELZ-UHFFFAOYSA-N -1 0 290.279 1.006 50 5 CDBARM CCCn1c(=O)c(=O)[n-]c2c(=O)oc3ccccc3c21 ZINC000009607175 276057888 /nfs/dbraw/zinc/05/78/88/276057888.db2.gz YFNZNWIGQACQPT-UHFFFAOYSA-N -1 0 272.260 1.206 50 5 CDBARM Nc1ccc2nn(-c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000036162515 303498878 /nfs/dbraw/zinc/49/88/78/303498878.db2.gz ILUKYDTWSCCIQJ-UHFFFAOYSA-N -1 0 271.236 1.617 50 5 CDBARM O=C([O-])/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004892966 534479886 /nfs/dbraw/zinc/47/98/86/534479886.db2.gz JRABJZGUAXKSOZ-ONEGZZNKSA-N -1 0 270.628 1.828 50 5 CDBARM O=C(Nc1cccc(Cl)c1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000095978674 185052317 /nfs/dbraw/zinc/05/23/17/185052317.db2.gz UJWICXLFISMXKJ-UHFFFAOYSA-N -1 0 282.643 1.929 50 5 CDBARM O=C([O-])/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000032561935 356265604 /nfs/dbraw/zinc/26/56/04/356265604.db2.gz JRABJZGUAXKSOZ-ARJAWSKDSA-N -1 0 270.628 1.828 50 5 CDBARM O=c1[n-]c(=O)c(SCc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000000138689 359143329 /nfs/dbraw/zinc/14/33/29/359143329.db2.gz MZURROZYMGEZGH-UHFFFAOYSA-N -1 0 298.255 1.210 50 5 CDBARM O=C([O-])C[C@H]1CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n21 ZINC000032918536 304084425 /nfs/dbraw/zinc/08/44/25/304084425.db2.gz KGKMFNAHCZCXNR-VIFPVBQESA-N -1 0 289.247 1.309 50 5 CDBARM CCOC(=O)c1c[n-]c2cc([N+](=O)[O-])ccc2c1=O ZINC000017300516 367158807 /nfs/dbraw/zinc/15/88/07/367158807.db2.gz LYNIYLCGKJWHSC-UHFFFAOYSA-N -1 0 262.221 1.613 50 5 CDBARM Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/C(=O)[O-] ZINC000004006177 375837226 /nfs/dbraw/zinc/83/72/26/375837226.db2.gz QRJLYPZBDPQQEO-SNAWJCMRSA-N -1 0 250.210 1.483 50 5 CDBARM O=C([O-])c1ccc(I)c([N+](=O)[O-])c1 ZINC000002566454 304245711 /nfs/dbraw/zinc/24/57/11/304245711.db2.gz DNMTZLCNLAIKQC-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM O=C([O-])c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004978110 170047893 /nfs/dbraw/zinc/04/78/93/170047893.db2.gz XZOJOADZBOXPHS-SECBINFHSA-N -1 0 266.253 1.884 50 5 CDBARM CNc1nc([N-]c2nc(C)cs2)ncc1[N+](=O)[O-] ZINC000005943276 170159701 /nfs/dbraw/zinc/15/97/01/170159701.db2.gz UZULVJNQLGZJRU-UHFFFAOYSA-N -1 0 266.286 1.935 50 5 CDBARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000008555433 170340235 /nfs/dbraw/zinc/34/02/35/170340235.db2.gz CIKGWLMBQJIERA-RFZWMSCOSA-N -1 0 292.295 1.566 50 5 CDBARM NC(=O)N[C@@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000004686954 303279931 /nfs/dbraw/zinc/27/99/31/303279931.db2.gz DVQDCCVDTUJHTP-QMMMGPOBSA-N -1 0 287.659 1.432 50 5 CDBARM COc1cc(/C=C\C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000004570405 356410000 /nfs/dbraw/zinc/41/00/00/356410000.db2.gz BZIRMMAJZSOLEW-ARJAWSKDSA-N -1 0 253.210 1.710 50 5 CDBARM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000003188205 359237389 /nfs/dbraw/zinc/23/73/89/359237389.db2.gz QGLVMZIDDUDYQZ-JTQLQIEISA-N -1 0 266.253 1.434 50 5 CDBARM CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004146916 169938043 /nfs/dbraw/zinc/93/80/43/169938043.db2.gz SKLKGBJXJPCGMJ-QMMMGPOBSA-N -1 0 284.228 1.419 50 5 CDBARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000005517543 170107002 /nfs/dbraw/zinc/10/70/02/170107002.db2.gz ZFRQKLZGJTVTNN-SSDOTTSWSA-N -1 0 297.654 1.571 50 5 CDBARM Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)[O-] ZINC000034928890 171895254 /nfs/dbraw/zinc/89/52/54/171895254.db2.gz URSLCWIGOHLECM-UHFFFAOYSA-N -1 0 292.089 1.727 50 5 CDBARM CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N(C)C1=S ZINC000035349218 289790294 /nfs/dbraw/zinc/79/02/94/289790294.db2.gz IKYDEVXECLBIJQ-TWGQIWQCSA-N -1 0 293.304 1.330 50 5 CDBARM O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000032561936 356266593 /nfs/dbraw/zinc/26/65/93/356266593.db2.gz JKDKGEBQSCKPJN-ARJAWSKDSA-N -1 0 270.628 1.828 50 5 CDBARM Cc1cc(C)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000092547689 374698475 /nfs/dbraw/zinc/69/84/75/374698475.db2.gz MKIPDZWBUAAUMQ-UHFFFAOYSA-N -1 0 290.279 1.752 50 5 CDBARM CCn1c(CCn2nc(C)cc2[N+](=O)[O-])n[nH]c1=S ZINC000002573500 375247311 /nfs/dbraw/zinc/24/73/11/375247311.db2.gz JFBWCVYDKCKDAO-UHFFFAOYSA-N -1 0 282.329 1.616 50 5 CDBARM O=c1ccc(=O)n(-c2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000032267186 375925288 /nfs/dbraw/zinc/92/52/88/375925288.db2.gz OIKIGHQEYCQIMQ-UHFFFAOYSA-N -1 0 267.628 1.087 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12 ZINC000034781430 304206064 /nfs/dbraw/zinc/20/60/64/304206064.db2.gz ZCYAUKIMNJXVPW-CMPLNLGQSA-N -1 0 278.264 1.057 50 5 CDBARM COC(=O)CCc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000002166709 169778516 /nfs/dbraw/zinc/77/85/16/169778516.db2.gz DQLWOAONCUINLZ-UHFFFAOYSA-N -1 0 270.197 1.314 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)cc2)[nH]1 ZINC000004891479 170036760 /nfs/dbraw/zinc/03/67/60/170036760.db2.gz IXRBZNCTCYNHKP-ZZXKWVIFSA-N -1 0 275.220 1.260 50 5 CDBARM COc1cc(CN2CCOCC2)cc([N+](=O)[O-])c1[O-] ZINC000004988388 170049697 /nfs/dbraw/zinc/04/96/97/170049697.db2.gz AQNJKECETFJYOT-UHFFFAOYSA-N -1 0 268.269 1.141 50 5 CDBARM COc1cc([N+](=O)[O-])ccc1NCCCC(=O)[O-] ZINC000019410890 170789376 /nfs/dbraw/zinc/78/93/76/170789376.db2.gz WNEXYSRMIICHHP-UHFFFAOYSA-N -1 0 254.242 1.880 50 5 CDBARM CC(C)[C@H](C(=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000015412142 280189377 /nfs/dbraw/zinc/18/93/77/280189377.db2.gz VJWJQECMBKDTEQ-LLVKDONJSA-N -1 0 278.264 1.660 50 5 CDBARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-] ZINC000000032989 482456625 /nfs/dbraw/zinc/45/66/25/482456625.db2.gz XCCZFOBFTQIDBX-PSASIEDQSA-N -1 0 268.294 1.691 50 5 CDBARM Cc1n[n-]/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000016971600 356450184 /nfs/dbraw/zinc/45/01/84/356450184.db2.gz VICFGNKCAMXZPP-AATRIKPKSA-N -1 0 290.304 1.829 50 5 CDBARM O=C([O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000169800451 304089476 /nfs/dbraw/zinc/08/94/76/304089476.db2.gz FNWSQWJFGNUSFM-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(F)c2)[nH]1 ZINC000015009203 365068796 /nfs/dbraw/zinc/06/87/96/365068796.db2.gz AEWZUNRDZSLGDO-SNAWJCMRSA-N -1 0 277.211 1.693 50 5 CDBARM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119372015 390631138 /nfs/dbraw/zinc/63/11/38/390631138.db2.gz HYCGMXIDGBSXIK-ZWNOBZJWSA-N -1 0 294.307 1.988 50 5 CDBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2cnccc21 ZINC000096454968 304531288 /nfs/dbraw/zinc/53/12/88/304531288.db2.gz MCLQFLLCGFDAOC-UHFFFAOYSA-N -1 0 285.259 1.898 50 5 CDBARM Cc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1[N+](=O)[O-] ZINC000004205801 301065813 /nfs/dbraw/zinc/06/58/13/301065813.db2.gz JOZVCXWVVHEUMP-UHFFFAOYSA-N -1 0 275.220 1.147 50 5 CDBARM O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1[O-] ZINC000001507325 304800964 /nfs/dbraw/zinc/80/09/64/304800964.db2.gz YIKCQUUQMXHEEU-UHFFFAOYSA-N -1 0 271.172 1.594 50 5 CDBARM COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/C(=O)[O-] ZINC000004661019 357675086 /nfs/dbraw/zinc/67/50/86/357675086.db2.gz GMNCTMJKDGTIJZ-SNAWJCMRSA-N -1 0 266.209 1.183 50 5 CDBARM O=C([O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000037460585 304089512 /nfs/dbraw/zinc/08/95/12/304089512.db2.gz SWLSHEHNEIUTLA-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002865402 169838647 /nfs/dbraw/zinc/83/86/47/169838647.db2.gz GDPNLPBBDUFJTI-UHFFFAOYSA-N -1 0 294.292 1.494 50 5 CDBARM O=c1[n-]c(CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000005731159 170134571 /nfs/dbraw/zinc/13/45/71/170134571.db2.gz HOYGURFBUZNFIU-UHFFFAOYSA-N -1 0 252.255 1.299 50 5 CDBARM Cn1c2ccc(C(F)(F)F)cc2nc2c(=O)[n-]c(=O)nc1-2 ZINC000006659219 170223170 /nfs/dbraw/zinc/22/31/70/170223170.db2.gz KCDITQBGZLRTBX-UHFFFAOYSA-N -1 0 296.208 1.140 50 5 CDBARM CS(=O)(=O)[N-]c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001218405 411623196 /nfs/dbraw/zinc/62/31/96/411623196.db2.gz QMUPVLWZTBOZNA-UHFFFAOYSA-N -1 0 273.295 1.576 50 5 CDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC[C@H]1CCCO1 ZINC000037226505 173046384 /nfs/dbraw/zinc/04/63/84/173046384.db2.gz BZJQHIABMUYYRN-MRVPVSSYSA-N -1 0 297.263 1.859 50 5 CDBARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1 ZINC000040451225 301631078 /nfs/dbraw/zinc/63/10/78/301631078.db2.gz GIYVNRRHVAOLEB-QMMMGPOBSA-N -1 0 264.237 1.341 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000004357726 301869312 /nfs/dbraw/zinc/86/93/12/301869312.db2.gz HFAXIVVNHIWLLO-UWVGGRQHSA-N -1 0 268.294 1.691 50 5 CDBARM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000089531270 360357934 /nfs/dbraw/zinc/35/79/34/360357934.db2.gz VFIVRXONWODLJY-UHFFFAOYSA-N -1 0 276.252 1.595 50 5 CDBARM COc1ccc(CSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000012946184 374617579 /nfs/dbraw/zinc/61/75/79/374617579.db2.gz YKRCQUVMNDWKPL-UHFFFAOYSA-N -1 0 257.267 1.921 50 5 CDBARM O=[N+]([O-])c1ccc2c3nnoc3cc(S(=O)(=O)[O-])c2c1 ZINC000001848652 376142026 /nfs/dbraw/zinc/14/20/26/376142026.db2.gz NLBIPCLXYJYOQP-UHFFFAOYSA-N -1 0 295.232 1.531 50 5 CDBARM O=C([O-])C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005125355 170068481 /nfs/dbraw/zinc/06/84/81/170068481.db2.gz JTQFCHCEAPCVJB-UHFFFAOYSA-N -1 0 292.291 1.968 50 5 CDBARM CC(=O)c1ccc(NCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000064037959 175690422 /nfs/dbraw/zinc/69/04/22/175690422.db2.gz FONZPRUZDXLJFF-UHFFFAOYSA-N -1 0 252.226 1.684 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000004357730 301867590 /nfs/dbraw/zinc/86/75/90/301867590.db2.gz HFAXIVVNHIWLLO-NXEZZACHSA-N -1 0 268.294 1.691 50 5 CDBARM O=C([O-])[C@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1 ZINC000012505683 304201241 /nfs/dbraw/zinc/20/12/41/304201241.db2.gz RYTMVTXXMSRLGT-ZCFIWIBFSA-N -1 0 257.629 1.884 50 5 CDBARM O=c1[n-]c([N+](=O)[O-])nn1C12CC3CC(CC(C3)C1)C2 ZINC000009142788 304814283 /nfs/dbraw/zinc/81/42/83/304814283.db2.gz DDXGYPTYMCUXQG-UHFFFAOYSA-N -1 0 264.285 1.405 50 5 CDBARM O=[N+]([O-])c1ncc(N2CCC[C@@H](CCO)C2)cc1[O-] ZINC000952994606 839267699 /nfs/dbraw/zinc/26/76/99/839267699.db2.gz RELXTGREMOVTEM-VIFPVBQESA-N -1 0 267.285 1.294 50 5 CDBARM Cc1cc([N+](=O)[O-])cnc1N1Cc2nc(C)[nH]c(=O)c2C1 ZINC000585132785 342215333 /nfs/dbraw/zinc/21/53/33/342215333.db2.gz VPJXLGDUMQZOQM-UHFFFAOYSA-N -1 0 287.279 1.622 50 5 CDBARM O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000018227584 362468489 /nfs/dbraw/zinc/46/84/89/362468489.db2.gz LGUKSUMQFBALJX-NXEZZACHSA-N -1 0 288.259 1.756 50 5 CDBARM O=[N+]([O-])c1cc(CN2CCC[C@H](O)C2)ccc1[O-] ZINC000016662693 356444793 /nfs/dbraw/zinc/44/47/93/356444793.db2.gz PGWIVESVDPNWPU-JTQLQIEISA-N -1 0 252.270 1.257 50 5 CDBARM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000015443266 304184093 /nfs/dbraw/zinc/18/40/93/304184093.db2.gz VEAIWASLIKZFDF-VIFPVBQESA-N -1 0 250.254 1.896 50 5 CDBARM CN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004101075 375870853 /nfs/dbraw/zinc/87/08/53/375870853.db2.gz SDUKWLYCRWBFJD-UHFFFAOYSA-N -1 0 255.186 1.024 50 5 CDBARM O=C([O-])/C=C/C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015422973 170665213 /nfs/dbraw/zinc/66/52/13/170665213.db2.gz FBZOUXLEZLYVKG-ONEGZZNKSA-N -1 0 270.628 1.828 50 5 CDBARM O=C([O-])C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000015443310 304042631 /nfs/dbraw/zinc/04/26/31/304042631.db2.gz QGAAHRDLCVCDAG-UHFFFAOYSA-N -1 0 251.242 1.291 50 5 CDBARM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccon1 ZINC000097050541 375141141 /nfs/dbraw/zinc/14/11/41/375141141.db2.gz JWBGLVADHTYJCI-UHFFFAOYSA-N -1 0 287.228 1.523 50 5 CDBARM O=C([O-])[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000112587 359098657 /nfs/dbraw/zinc/09/86/57/359098657.db2.gz HKWNCNVBEVINPC-SSDOTTSWSA-N -1 0 250.210 1.032 50 5 CDBARM CCC(=O)N[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000000311955 359481876 /nfs/dbraw/zinc/48/18/76/359481876.db2.gz ZQJITFNZEBENHG-SECBINFHSA-N -1 0 296.279 1.125 50 5 CDBARM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncccc1O ZINC000024983952 359675227 /nfs/dbraw/zinc/67/52/27/359675227.db2.gz ZYCGOYDGVJMQPL-UHFFFAOYSA-N -1 0 273.248 1.877 50 5 CDBARM O=C([O-])[C@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000314379 304190234 /nfs/dbraw/zinc/19/02/34/304190234.db2.gz DAFGBJNYNSYTIU-WDEREUQCSA-N -1 0 299.304 1.622 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2F)[nH]1 ZINC000030840531 375679342 /nfs/dbraw/zinc/67/93/42/375679342.db2.gz WTMMNABBVHOZLT-WAYWQWQTSA-N -1 0 277.211 1.281 50 5 CDBARM Cc1cc(OCCCCS(=O)(=O)[O-])ccc1[N+](=O)[O-] ZINC000002165047 169778195 /nfs/dbraw/zinc/77/81/95/169778195.db2.gz FTOVQCQLQAJMGJ-UHFFFAOYSA-N -1 0 289.309 1.950 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C(=O)[O-] ZINC000004582646 356431418 /nfs/dbraw/zinc/43/14/18/356431418.db2.gz XNBQISQCUQYJKW-PLNGDYQASA-N -1 0 250.210 1.483 50 5 CDBARM CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000003887583 364992341 /nfs/dbraw/zinc/99/23/41/364992341.db2.gz QXXOOFQUSPEKGT-JTQLQIEISA-N -1 0 298.320 1.531 50 5 CDBARM COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)[O-] ZINC000000093127 390909049 /nfs/dbraw/zinc/90/90/49/390909049.db2.gz DQYMZXRGXUJHLS-UHFFFAOYSA-N -1 0 261.617 1.964 50 5 CDBARM O=C([O-])/C=C/c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000044154656 134908427 /nfs/dbraw/zinc/90/84/27/134908427.db2.gz IMCFIUROWKZUNG-DAFODLJHSA-N -1 0 278.264 1.529 50 5 CDBARM Cn1cc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000097101062 323207497 /nfs/dbraw/zinc/20/74/97/323207497.db2.gz NSESHQYENXFZKN-UHFFFAOYSA-N -1 0 276.252 1.215 50 5 CDBARM Cc1cccc2c3nn4c(n[n-]c4=S)nc3[nH]c21 ZINC000004302674 326810932 /nfs/dbraw/zinc/81/09/32/326810932.db2.gz NXZIAVPOLYCEIM-UHFFFAOYSA-N -1 0 256.294 1.751 50 5 CDBARM O=c1ccnc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[nH]1 ZINC000089769894 712373774 /nfs/dbraw/zinc/37/37/74/712373774.db2.gz HSDCQHZOSBIZRD-DAFODLJHSA-N -1 0 259.221 1.554 50 5 CDBARM O=C([O-])C1=NC(=O)N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000005517564 304035933 /nfs/dbraw/zinc/03/59/33/304035933.db2.gz ITZYTCUEDSFOBR-MRVPVSSYSA-N -1 0 297.654 1.571 50 5 CDBARM O=C([O-])CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000004207292 304051723 /nfs/dbraw/zinc/05/17/23/304051723.db2.gz HSELHMHPLWKBID-UHFFFAOYSA-N -1 0 266.209 1.368 50 5 CDBARM O=[N+]([O-])c1ccc(I)c([O-])c1 ZINC000060007417 356389804 /nfs/dbraw/zinc/38/98/04/356389804.db2.gz KUACYTMKOLNBNK-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM O=C([O-])c1cc(I)ccc1[N+](=O)[O-] ZINC000034143793 304225497 /nfs/dbraw/zinc/22/54/97/304225497.db2.gz RYOSQAPCAPOLCV-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM C[C@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000123524532 424388518 /nfs/dbraw/zinc/38/85/18/424388518.db2.gz SOQOKPJREONSQL-AWEZNQCLSA-N -1 0 294.307 1.535 50 5 CDBARM O=[N+]([O-])c1ccccc1SCCCS(=O)(=O)[O-] ZINC000002165044 367684547 /nfs/dbraw/zinc/68/45/47/367684547.db2.gz MCMKUBXXWYNIMI-UHFFFAOYSA-N -1 0 277.323 1.965 50 5 CDBARM O=[N+]([O-])c1cccc(-c2ccc3n[n-]c(=S)n3n2)c1 ZINC000041631114 379424252 /nfs/dbraw/zinc/42/42/52/379424252.db2.gz KFRLTTKJGVNSRS-UHFFFAOYSA-N -1 0 273.277 1.988 50 5 CDBARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000185042 278074980 /nfs/dbraw/zinc/07/49/80/278074980.db2.gz DPFVSVGVJVQKSP-MNOVXSKESA-N -1 0 296.304 1.642 50 5 CDBARM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000015443280 297078417 /nfs/dbraw/zinc/07/84/17/297078417.db2.gz MTYJFJLVTITZPT-DTORHVGOSA-N -1 0 280.280 1.907 50 5 CDBARM CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000252495684 295539012 /nfs/dbraw/zinc/53/90/12/295539012.db2.gz OWFMTTDOFPVFBH-UHFFFAOYSA-N -1 0 284.215 1.985 50 5 CDBARM O=C(NCCc1cscn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097373277 323207790 /nfs/dbraw/zinc/20/77/90/323207790.db2.gz BLCFWSCYPFRHCA-UHFFFAOYSA-N -1 0 293.304 1.729 50 5 CDBARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000000112630 359099278 /nfs/dbraw/zinc/09/92/78/359099278.db2.gz IGXJPNSMMOYCOC-JTQLQIEISA-N -1 0 252.226 1.247 50 5 CDBARM Nc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000095424176 374925538 /nfs/dbraw/zinc/92/55/38/374925538.db2.gz QMLLDOTZHMTYMD-QMMMGPOBSA-N -1 0 293.279 1.114 50 5 CDBARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001238412 375077187 /nfs/dbraw/zinc/07/71/87/375077187.db2.gz HVGXTCMOMGFTPO-MRVPVSSYSA-N -1 0 295.276 1.275 50 5 CDBARM CCn1c(=O)c([O-])nc2c(=O)oc3ccccc3c21 ZINC000009605788 170382741 /nfs/dbraw/zinc/38/27/41/170382741.db2.gz JCBVPTSZIDEVKA-UHFFFAOYSA-N -1 0 258.233 1.228 50 5 CDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C)C[N+](=O)[O-] ZINC000000297236 359429667 /nfs/dbraw/zinc/42/96/67/359429667.db2.gz MLRDEESSCJSTAE-SKDRFNHKSA-N -1 0 261.281 1.938 50 5 CDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncccn1 ZINC000000368781 359589809 /nfs/dbraw/zinc/58/98/09/359589809.db2.gz WGADSIIOWABKSF-UHFFFAOYSA-N -1 0 280.265 1.186 50 5 CDBARM O=C([O-])c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000003888952 304225840 /nfs/dbraw/zinc/22/58/40/304225840.db2.gz YLZSNFZNVCUXMM-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000004779404 170016077 /nfs/dbraw/zinc/01/60/77/170016077.db2.gz BHXLLSVOHJUCBH-GQCTYLIASA-N -1 0 295.247 1.635 50 5 CDBARM O=C([O-])c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000035655289 172331503 /nfs/dbraw/zinc/33/15/03/172331503.db2.gz VDPGIWQEDKGCRZ-UHFFFAOYSA-N -1 0 290.279 1.992 50 5 CDBARM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(F)c1[N+](=O)[O-] ZINC000585129665 931015430 /nfs/dbraw/zinc/01/54/30/931015430.db2.gz QXUQWAXNNSHIRP-SSDOTTSWSA-N -1 0 292.288 1.511 50 5 CDBARM O=C(NCC[C@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119785266 186851727 /nfs/dbraw/zinc/85/17/27/186851727.db2.gz IKTYGSHSLUAECH-LLVKDONJSA-N -1 0 294.307 1.989 50 5 CDBARM O=C(Nc1ccc([N+](=O)[O-])cc1)c1n[nH]nc1Cl ZINC000004476229 356360693 /nfs/dbraw/zinc/36/06/93/356360693.db2.gz MZYLHSUENGDQMV-UHFFFAOYSA-N -1 0 267.632 1.619 50 5 CDBARM O=c1cc([O-])c2sc3[nH]c(=O)c([N+](=O)[O-])cc3c2[nH]1 ZINC000004593261 357084145 /nfs/dbraw/zinc/08/41/45/357084145.db2.gz UHBHCYFYVSRWIK-UHFFFAOYSA-N -1 0 279.233 1.045 50 5 CDBARM CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000002546070 357458675 /nfs/dbraw/zinc/45/86/75/357458675.db2.gz ZCZIHDVSTSPBPF-SSDOTTSWSA-N -1 0 283.236 1.658 50 5 CDBARM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000004674053 357691789 /nfs/dbraw/zinc/69/17/89/357691789.db2.gz PMWZRSPEYFJPMK-UHFFFAOYSA-N -1 0 283.265 1.692 50 5 CDBARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040546069 304112036 /nfs/dbraw/zinc/11/20/36/304112036.db2.gz SGIVVTVUZFXDFU-JTQLQIEISA-N -1 0 279.252 1.676 50 5 CDBARM O=c1[nH]c([O-])c(Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000001314364 375688017 /nfs/dbraw/zinc/68/80/17/375688017.db2.gz FBYORWIZWPXKOM-UHFFFAOYSA-N -1 0 263.209 1.092 50 5 CDBARM CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004146917 375893223 /nfs/dbraw/zinc/89/32/23/375893223.db2.gz SKLKGBJXJPCGMJ-MRVPVSSYSA-N -1 0 284.228 1.419 50 5 CDBARM COC(=O)c1c([N+](=O)[O-])cc(OC)c([O-])c1[N+](=O)[O-] ZINC000063110808 391119982 /nfs/dbraw/zinc/11/99/82/391119982.db2.gz WVGAHQOINHARSS-UHFFFAOYSA-N -1 0 272.169 1.004 50 5 CDBARM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000130265611 391758223 /nfs/dbraw/zinc/75/82/23/391758223.db2.gz PJUCNVRALWAPGW-DTORHVGOSA-N -1 0 280.280 1.550 50 5 CDBARM CSc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000003407188 169885824 /nfs/dbraw/zinc/88/58/24/169885824.db2.gz WPXNZLGDXBPJBT-UHFFFAOYSA-N -1 0 270.266 1.131 50 5 CDBARM COc1ccc(C(=O)[O-])cc1Cn1cc([N+](=O)[O-])cn1 ZINC000004237611 169946662 /nfs/dbraw/zinc/94/66/62/169946662.db2.gz SMTTWBNEGXXXDN-UHFFFAOYSA-N -1 0 277.236 1.546 50 5 CDBARM C[C@H]1CN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000015443281 300297250 /nfs/dbraw/zinc/29/72/50/300297250.db2.gz MTYJFJLVTITZPT-IUCAKERBSA-N -1 0 280.280 1.907 50 5 CDBARM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(F)c1[N+](=O)[O-] ZINC000585129666 931016128 /nfs/dbraw/zinc/01/61/28/931016128.db2.gz QXUQWAXNNSHIRP-ZETCQYMHSA-N -1 0 292.288 1.511 50 5 CDBARM CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000095970156 185048987 /nfs/dbraw/zinc/04/89/87/185048987.db2.gz IMBUAWRUGSEIQE-HQJQHLMTSA-N -1 0 295.295 1.406 50 5 CDBARM O=C([O-])Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000005567691 304088145 /nfs/dbraw/zinc/08/81/45/304088145.db2.gz ZKKCLKYKTRUIKW-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM C[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000002537835 375197361 /nfs/dbraw/zinc/19/73/61/375197361.db2.gz NSLLFDRUMYVGIQ-GSVOUGTGSA-N -1 0 253.136 1.456 50 5 CDBARM Cc1n[nH]c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052549 390664679 /nfs/dbraw/zinc/66/46/79/390664679.db2.gz DGRVGELACGJTKS-UHFFFAOYSA-N -1 0 290.279 1.570 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1 ZINC000003311657 169877768 /nfs/dbraw/zinc/87/77/68/169877768.db2.gz NQQGRAOZVFMPRY-UHFFFAOYSA-N -1 0 265.200 1.677 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2cnccc21 ZINC000118942625 424197181 /nfs/dbraw/zinc/19/71/81/424197181.db2.gz BJNCROXEOIVTHN-UHFFFAOYSA-N -1 0 285.259 1.898 50 5 CDBARM O=C([O-])/C=C\C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000033318362 356799291 /nfs/dbraw/zinc/79/92/91/356799291.db2.gz TUPOUSSKZNAZQW-ARJAWSKDSA-N -1 0 254.173 1.313 50 5 CDBARM O=C([O-])[C@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000000077892 358251266 /nfs/dbraw/zinc/25/12/66/358251266.db2.gz WHEHQPOUIXMETN-BDAKNGLRSA-N -1 0 254.267 1.383 50 5 CDBARM COc1ccc([N+](=O)[O-])cc1C=C1SC(=O)NC1=O ZINC000002891571 375365028 /nfs/dbraw/zinc/36/50/28/375365028.db2.gz DZRRZWNEPYPEHH-WEVVVXLNSA-N -1 0 280.261 1.927 50 5 CDBARM O=C([O-])[C@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004673203 304209445 /nfs/dbraw/zinc/20/94/45/304209445.db2.gz KTPRNUKJCZVUHM-SNVBAGLBSA-N -1 0 282.277 1.195 50 5 CDBARM O=C([O-])c1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] ZINC000042684299 304220001 /nfs/dbraw/zinc/22/00/01/304220001.db2.gz XYFAPGQLTCVZOK-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM COc1ccc([N+](=O)[O-])c(S[C@@H](C)C(=O)[O-])n1 ZINC000000080914 169529459 /nfs/dbraw/zinc/52/94/59/169529459.db2.gz LFZCKGHKKKCAMI-YFKPBYRVSA-N -1 0 258.255 1.564 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCC(O)CC1 ZINC000015443385 304227964 /nfs/dbraw/zinc/22/79/64/304227964.db2.gz SQHMGRZMJCGGHA-UHFFFAOYSA-N -1 0 266.253 1.254 50 5 CDBARM Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC(=O)[O-] ZINC000002565207 169809960 /nfs/dbraw/zinc/80/99/60/169809960.db2.gz YUTXBJXNUVCBNP-UHFFFAOYSA-N -1 0 253.136 1.203 50 5 CDBARM Cc1n[nH]c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000097079703 302477338 /nfs/dbraw/zinc/47/73/38/302477338.db2.gz GFUMKKLXBUIYQB-UHFFFAOYSA-N -1 0 276.252 1.893 50 5 CDBARM NC(=O)N[C@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000004686953 303280924 /nfs/dbraw/zinc/28/09/24/303280924.db2.gz DVQDCCVDTUJHTP-MRVPVSSYSA-N -1 0 287.659 1.432 50 5 CDBARM CCOc1cc([N+](=O)[O-])cc(C=O)c1O[C@@H](C)C(=O)[O-] ZINC000004803512 341996493 /nfs/dbraw/zinc/99/64/93/341996493.db2.gz RJBBXGKMBBIBSC-ZETCQYMHSA-N -1 0 283.236 1.658 50 5 CDBARM O=C([O-])/C=C/c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000129755709 187452363 /nfs/dbraw/zinc/45/23/63/187452363.db2.gz CHDQNHDDYMTOIK-AATRIKPKSA-N -1 0 261.193 1.743 50 5 CDBARM COc1cc([C@H](C)O)c([N+](=O)[O-])cc1OCCCC(=O)[O-] ZINC000004521581 356383915 /nfs/dbraw/zinc/38/39/15/356383915.db2.gz DUIJUTBRRZCWRD-QMMMGPOBSA-N -1 0 299.279 1.900 50 5 in-vitro CDBARM O=C([O-])COc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040545036 304070478 /nfs/dbraw/zinc/07/04/78/304070478.db2.gz GXMKLIBNRYGBAQ-UHFFFAOYSA-N -1 0 276.588 1.620 50 5 CDBARM O=C([O-])[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000012505758 359126745 /nfs/dbraw/zinc/12/67/45/359126745.db2.gz OYTOPXTXZVALGC-LURJTMIESA-N -1 0 268.200 1.171 50 5 CDBARM O=C([O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000075629387 304087850 /nfs/dbraw/zinc/08/78/50/304087850.db2.gz LOWAAWMXRXSOPA-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020368987 374890057 /nfs/dbraw/zinc/89/00/57/374890057.db2.gz OEJGXBPLQVDBTF-DAFODLJHSA-N -1 0 278.264 1.529 50 5 CDBARM O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@]1([O-])C(F)(F)F ZINC000002492377 375172026 /nfs/dbraw/zinc/17/20/26/375172026.db2.gz CATUPQKMCLYNGQ-MRVPVSSYSA-N -1 0 278.142 1.177 50 5 CDBARM CC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000002567271 375226502 /nfs/dbraw/zinc/22/65/02/375226502.db2.gz LOBKSYPZBSVLLE-JTQLQIEISA-N -1 0 284.293 1.276 50 5 in-vitro CDBARM O=C([O-])[C@H]1CCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O1 ZINC000071778213 304196533 /nfs/dbraw/zinc/19/65/33/304196533.db2.gz YYULGVYLSQGCRW-MRVPVSSYSA-N -1 0 268.181 1.281 50 5 CDBARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000011919895 304208172 /nfs/dbraw/zinc/20/81/72/304208172.db2.gz MGZNHWUKOICZHV-MNOVXSKESA-N -1 0 288.263 1.006 50 5 CDBARM O=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000012395476 304272555 /nfs/dbraw/zinc/27/25/55/304272555.db2.gz CEDHDTFPMDRBTM-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM O=C([O-])c1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000012395474 304279790 /nfs/dbraw/zinc/27/97/90/304279790.db2.gz BFORZHNHXBZZMG-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)[O-] ZINC000001597736 169722363 /nfs/dbraw/zinc/72/23/63/169722363.db2.gz VCXFZNLPLWKKFI-UHFFFAOYSA-N -1 0 256.170 1.275 50 5 CDBARM O=C([O-])C1(Nc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000004108464 169933588 /nfs/dbraw/zinc/93/35/88/169933588.db2.gz HZXVKDMYVOMDFF-UHFFFAOYSA-N -1 0 251.242 1.799 50 5 CDBARM Cc1c(SCC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004343591 169959988 /nfs/dbraw/zinc/95/99/88/169959988.db2.gz JBWGOXOYDSMVJV-UHFFFAOYSA-N -1 0 272.238 1.988 50 5 CDBARM O=C([O-])c1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000055202068 175573858 /nfs/dbraw/zinc/57/38/58/175573858.db2.gz TUWHXVSCCFCZRB-UHFFFAOYSA-N -1 0 276.208 1.268 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000004357723 301867577 /nfs/dbraw/zinc/86/75/77/301867577.db2.gz HFAXIVVNHIWLLO-VHSXEESVSA-N -1 0 268.294 1.691 50 5 CDBARM Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])no1 ZINC000097373308 323207925 /nfs/dbraw/zinc/20/79/25/323207925.db2.gz RACROIDKHBDXGW-UHFFFAOYSA-N -1 0 291.263 1.869 50 5 CDBARM Cc1ccc2c(c1)n(C)c(=O)c1c([O-])cc(=O)oc21 ZINC000006666740 342000274 /nfs/dbraw/zinc/00/02/74/342000274.db2.gz RAWNZJSIULMUPT-UHFFFAOYSA-N -1 0 257.245 1.659 50 5 CDBARM O=[N+]([O-])c1cccc(I)c1[O-] ZINC000034099924 356810109 /nfs/dbraw/zinc/81/01/09/356810109.db2.gz UGDVZTHIEZAYRU-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cnn(C)c1 ZINC000195567468 358566353 /nfs/dbraw/zinc/56/63/53/358566353.db2.gz BSFAGYMPGFURMX-MRVPVSSYSA-N -1 0 290.279 1.525 50 5 CDBARM O=C(N=C([O-])Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000001470907 361270505 /nfs/dbraw/zinc/27/05/05/361270505.db2.gz NBWFHDXHFBWFPN-UHFFFAOYSA-N -1 0 277.158 1.805 50 5 CDBARM CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000003887584 364992895 /nfs/dbraw/zinc/99/28/95/364992895.db2.gz QXXOOFQUSPEKGT-SNVBAGLBSA-N -1 0 298.320 1.531 50 5 CDBARM Nc1ncnc([N-]c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000003912581 365410964 /nfs/dbraw/zinc/41/09/64/365410964.db2.gz MXBSZEMPZJIZHM-UHFFFAOYSA-N -1 0 267.195 1.989 50 5 CDBARM O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1Br ZINC000001680879 370582654 /nfs/dbraw/zinc/58/26/54/370582654.db2.gz LKQYUJYPYBCDOA-UHFFFAOYSA-N -1 0 282.071 1.604 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCOCC1 ZINC000004321177 304227717 /nfs/dbraw/zinc/22/77/17/304227717.db2.gz PWLNTHFOHSXATC-UHFFFAOYSA-N -1 0 297.223 1.038 50 5 CDBARM CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000019093951 170752182 /nfs/dbraw/zinc/75/21/82/170752182.db2.gz ZCZIHDVSTSPBPF-ZETCQYMHSA-N -1 0 283.236 1.658 50 5 CDBARM O=[N+]([O-])c1c([O-])cccc1I ZINC000091252305 304798445 /nfs/dbraw/zinc/79/84/45/304798445.db2.gz DVEGEGXFFSZLBG-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000128490582 323210244 /nfs/dbraw/zinc/21/02/44/323210244.db2.gz JIUWUCSKWQIXBZ-UHFFFAOYSA-N -1 0 290.279 1.306 50 5 CDBARM N=C1NC(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S1 ZINC000018191526 303232198 /nfs/dbraw/zinc/23/21/98/303232198.db2.gz DKWXGSWXVDOMJH-YWEYNIOJSA-N -1 0 265.250 1.439 50 5 CDBARM O=C([O-])C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000053995143 304087641 /nfs/dbraw/zinc/08/76/41/304087641.db2.gz YRJUVGJXBGUUER-LJQANCHMSA-N -1 0 297.210 1.806 50 5 CDBARM Cc1cc(C)n(C(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])n1 ZINC000000063253 169523101 /nfs/dbraw/zinc/52/31/01/169523101.db2.gz MDXMVQLISGFXMR-UHFFFAOYSA-N -1 0 289.247 1.795 50 5 CDBARM O=C([O-])c1cccc([N+](=O)[O-])c1I ZINC000000163345 304265489 /nfs/dbraw/zinc/26/54/89/304265489.db2.gz XWOGTRRVKVPJSP-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM COC(=O)c1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000008729918 291995741 /nfs/dbraw/zinc/99/57/41/291995741.db2.gz QVNQBMGIVJNPJH-UHFFFAOYSA-N -1 0 276.042 1.850 50 5 CDBARM O=C([O-])C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000012021472 393049397 /nfs/dbraw/zinc/04/93/97/393049397.db2.gz CZNJNZYRDDIEEM-UHFFFAOYSA-N -1 0 278.264 1.532 50 5 CDBARM C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000040545253 174324548 /nfs/dbraw/zinc/32/45/48/174324548.db2.gz XSCVYCGATHCQFJ-LURJTMIESA-N -1 0 253.214 1.189 50 5 biogenic,in-vitro CDBARM CC(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000191424 279799656 /nfs/dbraw/zinc/79/96/56/279799656.db2.gz WYZPKTOYRYTTRJ-JTQLQIEISA-N -1 0 292.247 1.300 50 5 CDBARM COC(=O)CCc1ccc([S@](=O)[O-])c([N+](=O)[O-])c1 ZINC000675062597 570366172 /nfs/dbraw/zinc/36/61/72/570366172.db2.gz IWPNQWLUKAQMOQ-UHFFFAOYSA-N -1 0 273.266 1.281 50 5 CDBARM O=C([O-])c1cccc(I)c1[N+](=O)[O-] ZINC000113542449 1174866088 /nfs/dbraw/zinc/86/60/88/1174866088.db2.gz WNAROBUTYHYZPW-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM CN(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000097114580 357983575 /nfs/dbraw/zinc/98/35/75/357983575.db2.gz GEMFNXCDMMDTBN-UHFFFAOYSA-N -1 0 299.714 1.987 50 5 CDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C)C[N+](=O)[O-] ZINC000000297234 359429844 /nfs/dbraw/zinc/42/98/44/359429844.db2.gz MLRDEESSCJSTAE-CABZTGNLSA-N -1 0 261.281 1.938 50 5 CDBARM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)[O-])c1 ZINC000000368975 169620144 /nfs/dbraw/zinc/62/01/44/169620144.db2.gz IDBOQHVHOATSKD-UHFFFAOYSA-N -1 0 261.237 1.846 50 5 CDBARM O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2F)c1 ZINC000012395478 304279826 /nfs/dbraw/zinc/27/98/26/304279826.db2.gz OLDDITRQSNTZSO-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM C/C(=C\S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000035181301 391720541 /nfs/dbraw/zinc/72/05/41/391720541.db2.gz HCBZZRVBIVEINA-VOTSOKGWSA-N -1 0 271.250 1.357 50 5 CDBARM CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000005045619 170060542 /nfs/dbraw/zinc/06/05/42/170060542.db2.gz PABMJKZMUOMZOR-POHAHGRESA-N -1 0 250.210 1.156 50 5 CDBARM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000037183540 173015481 /nfs/dbraw/zinc/01/54/81/173015481.db2.gz XSQOHEZHSHGMRJ-SSDOTTSWSA-N -1 0 250.254 1.829 50 5 CDBARM O=C([O-])Cn1nc(-c2ccc([N+](=O)[O-])cc2Cl)oc1=O ZINC000040448110 174265504 /nfs/dbraw/zinc/26/55/04/174265504.db2.gz WVYRFHWQKYSXTH-UHFFFAOYSA-N -1 0 299.626 1.150 50 5 CDBARM C[C@H](O)CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000042783887 174879263 /nfs/dbraw/zinc/87/92/63/174879263.db2.gz HTTOYWKIDXAZTD-ZETCQYMHSA-N -1 0 254.242 1.476 50 5 CDBARM CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000003156562 278368565 /nfs/dbraw/zinc/36/85/65/278368565.db2.gz GXGCEJJMLXOQAC-UHFFFAOYSA-N -1 0 283.240 1.737 50 5 CDBARM CO[N-]C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012790712 293372227 /nfs/dbraw/zinc/37/22/27/293372227.db2.gz CREYERDSJZYWPJ-UHFFFAOYSA-N -1 0 282.299 1.832 50 5 CDBARM N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2[O-])S1 ZINC000004991718 303232472 /nfs/dbraw/zinc/23/24/72/303232472.db2.gz FVSCNLHHHWANGE-XBXARRHUSA-N -1 0 265.250 1.439 50 5 CDBARM CSc1nn(CCOc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000194577806 323553105 /nfs/dbraw/zinc/55/31/05/323553105.db2.gz IASOXMRRXJSMSD-UHFFFAOYSA-N -1 0 296.308 1.281 50 5 CDBARM O=[N+]([O-])c1ncc(N2CCC[C@H](CCO)C2)cc1[O-] ZINC000952994605 734843209 /nfs/dbraw/zinc/84/32/09/734843209.db2.gz RELXTGREMOVTEM-SECBINFHSA-N -1 0 267.285 1.294 50 5 CDBARM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119371615 186823229 /nfs/dbraw/zinc/82/32/29/186823229.db2.gz HYCGMXIDGBSXIK-GWCFXTLKSA-N -1 0 294.307 1.988 50 5 CDBARM O=C([O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000003888637 304042277 /nfs/dbraw/zinc/04/22/77/304042277.db2.gz KFUXTZKDCWHNGQ-UHFFFAOYSA-N -1 0 250.254 1.896 50 5 CDBARM O=C([O-])CSCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004517835 356034208 /nfs/dbraw/zinc/03/42/08/356034208.db2.gz WTYGLOKOYDUETF-UHFFFAOYSA-N -1 0 270.266 1.351 50 5 CDBARM C[C@@H](C(=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000000809802 359065968 /nfs/dbraw/zinc/06/59/68/359065968.db2.gz NYTKWHBITYKXRB-LURJTMIESA-N -1 0 250.210 1.024 50 5 CDBARM COc1ccccc1Nc1c(C(=O)[O-])nn(C)c1[N+](=O)[O-] ZINC000006397115 170198122 /nfs/dbraw/zinc/19/81/22/170198122.db2.gz BTSUCOSQJQGKNM-UHFFFAOYSA-N -1 0 292.251 1.779 50 5 CDBARM COc1ccc(CSCc2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000006673690 170224909 /nfs/dbraw/zinc/22/49/09/170224909.db2.gz YEIKVRVZNQXQIW-UHFFFAOYSA-N -1 0 296.308 1.448 50 5 CDBARM O=C([O-])c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000037291187 173097014 /nfs/dbraw/zinc/09/70/14/173097014.db2.gz GACIUHLMHIZKTO-UHFFFAOYSA-N -1 0 283.627 1.838 50 5 CDBARM CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000013511363 289855931 /nfs/dbraw/zinc/85/59/31/289855931.db2.gz CIQJANBBLHBHSL-WEVVVXLNSA-N -1 0 280.261 1.967 50 5 CDBARM O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)S(=O)(=O)[O-] ZINC000001869013 376360417 /nfs/dbraw/zinc/36/04/17/376360417.db2.gz GNDZQZFYCOCREF-SNVBAGLBSA-N -1 0 270.266 1.374 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12 ZINC000012480597 304206134 /nfs/dbraw/zinc/20/61/34/304206134.db2.gz ZCYAUKIMNJXVPW-JQWIXIFHSA-N -1 0 278.264 1.057 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@H]12 ZINC000036351034 134820401 /nfs/dbraw/zinc/82/04/01/134820401.db2.gz FLBRQVBTNGJUMJ-ZYHUDNBSSA-N -1 0 294.332 1.774 50 5 CDBARM C[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000123524742 424389676 /nfs/dbraw/zinc/38/96/76/424389676.db2.gz SOQOKPJREONSQL-CQSZACIVSA-N -1 0 294.307 1.535 50 5 CDBARM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000130265821 300198191 /nfs/dbraw/zinc/19/81/91/300198191.db2.gz PJUCNVRALWAPGW-IUCAKERBSA-N -1 0 280.280 1.550 50 5 CDBARM O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[O-])c1 ZINC000004181925 304801205 /nfs/dbraw/zinc/80/12/05/304801205.db2.gz ODEUZCDONYETMV-UHFFFAOYSA-N -1 0 282.617 1.403 50 5 CDBARM COc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000019093947 358257186 /nfs/dbraw/zinc/25/71/86/358257186.db2.gz JANBLAADNZANNL-LURJTMIESA-N -1 0 269.209 1.268 50 5 CDBARM O=C(Cc1cccnc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546836 374698131 /nfs/dbraw/zinc/69/81/31/374698131.db2.gz OUOAXSJRMSZKJU-UHFFFAOYSA-N -1 0 273.248 1.877 50 5 CDBARM O=c1[n-]c(SCc2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000194633596 392827593 /nfs/dbraw/zinc/82/75/93/392827593.db2.gz ACVVOQNNHJBIOK-UHFFFAOYSA-N -1 0 270.245 1.850 50 5 CDBARM CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000095970158 185048772 /nfs/dbraw/zinc/04/87/72/185048772.db2.gz IMBUAWRUGSEIQE-RDDDGLTNSA-N -1 0 295.295 1.406 50 5 CDBARM O=C([O-])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000991056 362483801 /nfs/dbraw/zinc/48/38/01/362483801.db2.gz OLNXQUYMKRMJIU-UHFFFAOYSA-N -1 0 278.264 1.532 50 5 CDBARM COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000033396053 358955086 /nfs/dbraw/zinc/95/50/86/358955086.db2.gz HZHRPAGNRIOZKF-WAYWQWQTSA-N -1 0 289.247 1.563 50 5 CDBARM O=C([O-])[C@@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004673204 304155149 /nfs/dbraw/zinc/15/51/49/304155149.db2.gz KTPRNUKJCZVUHM-JTQLQIEISA-N -1 0 282.277 1.195 50 5 CDBARM O=[N+]([O-])c1cc(CSc2nc[nH]n2)ccc1[O-] ZINC000018130294 374035708 /nfs/dbraw/zinc/03/57/08/374035708.db2.gz CXXAUUSUQKWGLH-UHFFFAOYSA-N -1 0 252.255 1.711 50 5 CDBARM CC(=O)N[C@H](C(=O)[O-])[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000005721753 170133271 /nfs/dbraw/zinc/13/32/71/170133271.db2.gz PXNODMWVXRPCGD-CPCISQLKSA-N -1 0 266.253 1.288 50 5 CDBARM O=c1[n-]c(CSCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000006058579 170172628 /nfs/dbraw/zinc/17/26/28/170172628.db2.gz UBTURTVEQACBKX-UHFFFAOYSA-N -1 0 266.282 1.440 50 5 CDBARM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccon1 ZINC000095995616 185060416 /nfs/dbraw/zinc/06/04/16/185060416.db2.gz MCZRVORSUKRIME-UHFFFAOYSA-N -1 0 297.292 1.567 50 5 CDBARM O=C([O-])CCN1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000000618596 169676510 /nfs/dbraw/zinc/67/65/10/169676510.db2.gz IOYOGBORAPALCW-UHFFFAOYSA-N -1 0 250.210 1.025 50 5 CDBARM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])no1 ZINC000120279720 301361815 /nfs/dbraw/zinc/36/18/15/301361815.db2.gz MBKHEQNDRCDXJK-UHFFFAOYSA-N -1 0 263.209 1.849 50 5 CDBARM O=C([O-])/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004892957 534480161 /nfs/dbraw/zinc/48/01/61/534480161.db2.gz JKDKGEBQSCKPJN-ONEGZZNKSA-N -1 0 270.628 1.828 50 5 CDBARM O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@]1([O-])C(F)(F)F ZINC000004693866 357760221 /nfs/dbraw/zinc/76/02/21/357760221.db2.gz YZRUAOYVUOZCDK-MRVPVSSYSA-N -1 0 278.142 1.177 50 5 CDBARM O=C([O-])[C@@H]1CS[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000000099235 358656046 /nfs/dbraw/zinc/65/60/46/358656046.db2.gz WNEKIYRMXWCTGY-FFWSUHOLSA-N -1 0 260.296 1.445 50 5 CDBARM O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1[O-] ZINC000023280482 358657035 /nfs/dbraw/zinc/65/70/35/358657035.db2.gz YWVCIBCGNOKLKZ-NSHDSACASA-N -1 0 266.297 1.505 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)cc2)[nH]1 ZINC000033448895 359698513 /nfs/dbraw/zinc/69/85/13/359698513.db2.gz IXRBZNCTCYNHKP-UTCJRWHESA-N -1 0 275.220 1.260 50 5 CDBARM O=C([O-])Cc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000094992652 184912176 /nfs/dbraw/zinc/91/21/76/184912176.db2.gz IELDSAAOXSAHPQ-UHFFFAOYSA-N -1 0 292.169 1.723 50 5 CDBARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000369594 278075647 /nfs/dbraw/zinc/07/56/47/278075647.db2.gz DPFVSVGVJVQKSP-QWRGUYRKSA-N -1 0 296.304 1.642 50 5 CDBARM O=C(c1ncccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000097141354 545521052 /nfs/dbraw/zinc/52/10/52/545521052.db2.gz YVCICCFFJYXQTI-UHFFFAOYSA-N -1 0 285.259 1.898 50 5 CDBARM Cn1c2ccccc2c2nn3c(n[n-]c3=S)nc21 ZINC000018190798 282603320 /nfs/dbraw/zinc/60/33/20/282603320.db2.gz MILIAARETAWECT-UHFFFAOYSA-N -1 0 256.294 1.453 50 5 CDBARM CN(CC1CCOCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119654964 186842715 /nfs/dbraw/zinc/84/27/15/186842715.db2.gz CABNWDSLEVHAQJ-UHFFFAOYSA-N -1 0 294.307 1.799 50 5 CDBARM O=C(NC1(CCO)CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000253427046 373734134 /nfs/dbraw/zinc/73/41/34/373734134.db2.gz KQZJAELDZZJURZ-UHFFFAOYSA-N -1 0 294.307 1.725 50 5 CDBARM CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000003877613 169919215 /nfs/dbraw/zinc/91/92/15/169919215.db2.gz MPWLEWUMPDWNFL-ZETCQYMHSA-N -1 0 269.213 1.778 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@H]12 ZINC000036351033 361782334 /nfs/dbraw/zinc/78/23/34/361782334.db2.gz FLBRQVBTNGJUMJ-CMPLNLGQSA-N -1 0 294.332 1.774 50 5 CDBARM Cc1nc(N2CCC(C)CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC000004951378 342089038 /nfs/dbraw/zinc/08/90/38/342089038.db2.gz PDPGVDPYOXVZPA-UHFFFAOYSA-N -1 0 252.274 1.223 50 5 CDBARM COc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004612828 357232565 /nfs/dbraw/zinc/23/25/65/357232565.db2.gz OGOZMUXGFMWISN-VOTSOKGWSA-N -1 0 289.247 1.563 50 5 CDBARM Cc1ncsc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097109059 357983657 /nfs/dbraw/zinc/98/36/57/357983657.db2.gz WIKGAFZNOKLWMH-UHFFFAOYSA-N -1 0 293.304 1.995 50 5 CDBARM O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000035864430 360127319 /nfs/dbraw/zinc/12/73/19/360127319.db2.gz AQKPAGBYVUJUNN-UHFFFAOYSA-N -1 0 281.293 1.523 50 5 CDBARM O=C([O-])C=C1CC(=O)N(c2cccc([N+](=O)[O-])c2)N1 ZINC000019228624 374704793 /nfs/dbraw/zinc/70/47/93/374704793.db2.gz WIHOQKASMGMBJC-UHFFFAOYSA-N -1 0 263.209 1.162 50 5 CDBARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004963915 170046238 /nfs/dbraw/zinc/04/62/38/170046238.db2.gz OZZUVTAMUUOPOJ-ARJAWSKDSA-N -1 0 270.628 1.828 50 5 CDBARM O=C([O-])c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004978109 170048166 /nfs/dbraw/zinc/04/81/66/170048166.db2.gz XZOJOADZBOXPHS-VIFPVBQESA-N -1 0 266.253 1.884 50 5 CDBARM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000267049 359413228 /nfs/dbraw/zinc/41/32/28/359413228.db2.gz GPWKTNXKKSBWRP-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM O=C([O-])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001513114 361538190 /nfs/dbraw/zinc/53/81/90/361538190.db2.gz CHUZVRRDYRHNAO-UHFFFAOYSA-N -1 0 258.617 1.063 50 5 CDBARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001238411 375076822 /nfs/dbraw/zinc/07/68/22/375076822.db2.gz HVGXTCMOMGFTPO-QMMMGPOBSA-N -1 0 295.276 1.275 50 5 CDBARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000011919893 393045862 /nfs/dbraw/zinc/04/58/62/393045862.db2.gz MGZNHWUKOICZHV-GHMZBOCLSA-N -1 0 288.263 1.006 50 5 CDBARM CCOc1ccc(NC(=O)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004628459 169991775 /nfs/dbraw/zinc/99/17/75/169991775.db2.gz LVNUJOFBQCYFTI-UHFFFAOYSA-N -1 0 282.252 1.797 50 5 CDBARM O=C([O-])CCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005174363 170073518 /nfs/dbraw/zinc/07/35/18/170073518.db2.gz YGHOUDNETXRKNH-UHFFFAOYSA-N -1 0 252.226 1.788 50 5 CDBARM Cc1ccnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005331142 170086269 /nfs/dbraw/zinc/08/62/69/170086269.db2.gz LYNOUFMNFAQQOH-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000191902011 227208722 /nfs/dbraw/zinc/20/87/22/227208722.db2.gz WFEQYVAIEOOCAE-UHFFFAOYSA-N -1 0 297.296 1.131 50 5 CDBARM CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000095970157 185048577 /nfs/dbraw/zinc/04/85/77/185048577.db2.gz IMBUAWRUGSEIQE-CPCISQLKSA-N -1 0 295.295 1.406 50 5 CDBARM O=C([O-])CN1C(=O)c2cccc3c2c1ccc3[N+](=O)[O-] ZINC000041124571 304067141 /nfs/dbraw/zinc/06/71/41/304067141.db2.gz UYWDEECGLDKVSN-UHFFFAOYSA-N -1 0 272.216 1.793 50 5 CDBARM Cc1nn(CCc2n[nH]c(=S)n2C)c(C)c1[N+](=O)[O-] ZINC000002573499 375246690 /nfs/dbraw/zinc/24/66/90/375246690.db2.gz OPVWLDHFIXNUPV-UHFFFAOYSA-N -1 0 282.329 1.442 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccon2)c(F)c1 ZINC000097081303 358149776 /nfs/dbraw/zinc/14/97/76/358149776.db2.gz SOOJQPXAWJGAAM-UHFFFAOYSA-N -1 0 287.228 1.523 50 5 CDBARM O=C([O-])[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000022176815 304181133 /nfs/dbraw/zinc/18/11/33/304181133.db2.gz LEFPKMYHXKKXMH-SECBINFHSA-N -1 0 251.242 1.433 50 5 CDBARM O=C([O-])CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000012404746 374500773 /nfs/dbraw/zinc/50/07/73/374500773.db2.gz VLNBCFNZFJFZFM-UHFFFAOYSA-N -1 0 252.226 1.076 50 5 CDBARM O=C([O-])c1nccnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004017231 375844021 /nfs/dbraw/zinc/84/40/21/375844021.db2.gz QEWJHXVLLSXAGW-UHFFFAOYSA-N -1 0 288.219 1.335 50 5 CDBARM COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)[O-] ZINC000004256483 375940685 /nfs/dbraw/zinc/94/06/85/375940685.db2.gz LDUVYHPZZBHLDB-UHFFFAOYSA-N -1 0 268.225 1.407 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])cc2n[nH]c(Br)c21 ZINC000014983683 304227854 /nfs/dbraw/zinc/22/78/54/304227854.db2.gz XICVTHNEBURAOZ-UHFFFAOYSA-N -1 0 286.041 1.932 50 5 CDBARM COc1ccc2c(c1)n(C)c(=O)c1c([O-])cc(=O)oc21 ZINC000006557199 295276820 /nfs/dbraw/zinc/27/68/20/295276820.db2.gz OGUDTVHIYRYVBO-UHFFFAOYSA-N -1 0 273.244 1.359 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000040546110 301863295 /nfs/dbraw/zinc/86/32/95/301863295.db2.gz CHGNZZMBMWEDSP-NSHDSACASA-N -1 0 293.279 1.984 50 5 CDBARM Cn1c2ccccc2c2oc(=O)c([N+](=O)[O-])c([O-])c2c1=O ZINC000003958247 302892661 /nfs/dbraw/zinc/89/26/61/302892661.db2.gz ZSTOMXULYGTVTQ-UHFFFAOYSA-N -1 0 288.215 1.259 50 5 CDBARM O=c1oc2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2s1 ZINC000003147712 304819844 /nfs/dbraw/zinc/81/98/44/304819844.db2.gz HEDWENCXCAWXDA-UHFFFAOYSA-N -1 0 258.167 1.377 50 5 CDBARM O=C([O-])/C=C/c1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000006222159 304023843 /nfs/dbraw/zinc/02/38/43/304023843.db2.gz QFELLHJNFUMHGA-DAFODLJHSA-N -1 0 261.189 1.799 50 5 CDBARM CCCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000012824775 361587346 /nfs/dbraw/zinc/58/73/46/361587346.db2.gz RFPSWTUWKRSUJX-UHFFFAOYSA-N -1 0 253.258 1.155 50 5 CDBARM O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1ccncc1 ZINC000073658975 372783444 /nfs/dbraw/zinc/78/34/44/372783444.db2.gz HGUMWYZHNWQHIP-UHFFFAOYSA-N -1 0 259.221 1.948 50 5 CDBARM CCn1cc(C(=O)[O-])c(=O)c2ccc([N+](=O)[O-])cc21 ZINC000006425916 374035404 /nfs/dbraw/zinc/03/54/04/374035404.db2.gz LPNLQEZNMAWJTJ-UHFFFAOYSA-N -1 0 262.221 1.628 50 5 CDBARM CC(=O)Nc1ccc(CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000096316055 375082246 /nfs/dbraw/zinc/08/22/46/375082246.db2.gz XHHCCHPSJVQUGT-UHFFFAOYSA-N -1 0 252.226 1.570 50 5 CDBARM CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n(C)n1 ZINC000097097461 397959108 /nfs/dbraw/zinc/95/91/08/397959108.db2.gz YRNPQBUUFMDRGS-UHFFFAOYSA-N -1 0 290.279 1.849 50 5 CDBARM Cn1c2ccccc2c2ccccc2/c(=N/[O-])c1=O ZINC000065743306 294188727 /nfs/dbraw/zinc/18/87/27/294188727.db2.gz QVRCJTODZXUHRW-PEZBUJJGSA-N -1 0 252.273 1.982 50 5 in-vitro CDBARM O=C([O-])CCNc1ncc([N+](=O)[O-])cc1Br ZINC000086481861 527593099 /nfs/dbraw/zinc/59/30/99/527593099.db2.gz RQVCOHXRWUDDSK-UHFFFAOYSA-N -1 0 290.073 1.639 50 5 CDBARM Cn1ccsc1=NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000781085421 936740917 /nfs/dbraw/zinc/74/09/17/936740917.db2.gz WPPJTEBLWLAYRR-UHFFFAOYSA-N -1 0 279.277 1.442 50 5 CDBARM O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097235706 342205609 /nfs/dbraw/zinc/20/56/09/342205609.db2.gz SYFFVSFGDKSCAZ-UHFFFAOYSA-N -1 0 279.277 1.687 50 5 CDBARM Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)[O-])cc1 ZINC000000368981 355906909 /nfs/dbraw/zinc/90/69/09/355906909.db2.gz TWWPZZUZTIDIAY-UHFFFAOYSA-N -1 0 261.237 1.846 50 5 CDBARM O=C([O-])C[C@@H]1CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n21 ZINC000032918535 304077436 /nfs/dbraw/zinc/07/74/36/304077436.db2.gz KGKMFNAHCZCXNR-SECBINFHSA-N -1 0 289.247 1.309 50 5 CDBARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1 ZINC000040451224 371426719 /nfs/dbraw/zinc/42/67/19/371426719.db2.gz GIYVNRRHVAOLEB-MRVPVSSYSA-N -1 0 264.237 1.341 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12 ZINC000005347340 304206024 /nfs/dbraw/zinc/20/60/24/304206024.db2.gz ANESJQQRIFXIQS-JQWIXIFHSA-N -1 0 262.265 1.821 50 5 CDBARM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021508383 171308981 /nfs/dbraw/zinc/30/89/81/171308981.db2.gz XNMYLMZWZVVLTE-SNVBAGLBSA-N -1 0 279.252 1.676 50 5 CDBARM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nn1C ZINC000097097757 301361482 /nfs/dbraw/zinc/36/14/82/301361482.db2.gz DGXJVDKMMVZMNE-UHFFFAOYSA-N -1 0 276.252 1.595 50 5 CDBARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)NC1=NCCS1 ZINC000002913188 814021828 /nfs/dbraw/zinc/02/18/28/814021828.db2.gz MJYJCZJSQALRSI-UHFFFAOYSA-N -1 0 295.276 1.126 50 5 CDBARM O=C([O-])CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000035328441 304051710 /nfs/dbraw/zinc/05/17/10/304051710.db2.gz LHJKGRRAJWHMLI-UHFFFAOYSA-N -1 0 277.236 1.170 50 5 CDBARM COc1cc(/C=C2/SC(=N)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000019286719 358949482 /nfs/dbraw/zinc/94/94/82/358949482.db2.gz ATLBYVIPVJMCPD-XBXARRHUSA-N -1 0 295.276 1.448 50 5 CDBARM O=C([O-])[C@@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000314376 304119982 /nfs/dbraw/zinc/11/99/82/304119982.db2.gz DAFGBJNYNSYTIU-GHMZBOCLSA-N -1 0 299.304 1.622 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12 ZINC000005347341 304151627 /nfs/dbraw/zinc/15/16/27/304151627.db2.gz ANESJQQRIFXIQS-PWSUYJOCSA-N -1 0 262.265 1.821 50 5 CDBARM COc1cc(CN2CCC[C@H](O)C2)cc([N+](=O)[O-])c1[O-] ZINC000016310454 370106578 /nfs/dbraw/zinc/10/65/78/370106578.db2.gz ZZCQBVDHHFPMKV-JTQLQIEISA-N -1 0 282.296 1.266 50 5 CDBARM COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000012371511 374494721 /nfs/dbraw/zinc/49/47/21/374494721.db2.gz HZHRPAGNRIOZKF-AATRIKPKSA-N -1 0 289.247 1.975 50 5 CDBARM O=c1cc([O-])c2c(=O)n3c4c(cccc4c2o1)CCC3 ZINC000095351654 304817928 /nfs/dbraw/zinc/81/79/28/304817928.db2.gz NAKALTGIZGZIAU-UHFFFAOYSA-N -1 0 269.256 1.760 50 5 CDBARM COC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000119776472 359014891 /nfs/dbraw/zinc/01/48/91/359014891.db2.gz KMHNAYXRECRJIT-UHFFFAOYSA-N -1 0 280.280 1.599 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000000221738 275037381 /nfs/dbraw/zinc/03/73/81/275037381.db2.gz VMGWRBFEMCOCIV-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM O=c1oc2c(s1)c([N+](=O)[O-])cc([N+](=O)[O-])c2[O-] ZINC000003657173 304819550 /nfs/dbraw/zinc/81/95/50/304819550.db2.gz OVTBAVCZGGVEHG-UHFFFAOYSA-N -1 0 258.167 1.377 50 5 CDBARM O=C([O-])CSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005717498 326816837 /nfs/dbraw/zinc/81/68/37/326816837.db2.gz TZHVMQYWALBPJJ-UHFFFAOYSA-N -1 0 270.266 1.351 50 5 CDBARM O=[N+]([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccccc2)o1 ZINC000004543055 356394205 /nfs/dbraw/zinc/39/42/05/356394205.db2.gz FULRUFPWLALPFG-UHFFFAOYSA-N -1 0 295.272 1.844 50 5 CDBARM CC(C)[C@@H](C(=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000015412145 374257467 /nfs/dbraw/zinc/25/74/67/374257467.db2.gz VJWJQECMBKDTEQ-NSHDSACASA-N -1 0 278.264 1.660 50 5 CDBARM O=C(NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052720 390664787 /nfs/dbraw/zinc/66/47/87/390664787.db2.gz WXEYZNFXTNMQBE-UHFFFAOYSA-N -1 0 291.238 1.765 50 5 CDBARM COc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000165374703 390970399 /nfs/dbraw/zinc/97/03/99/390970399.db2.gz KQOVFOIFORXHNM-QMMMGPOBSA-N -1 0 296.279 1.587 50 5 CDBARM COCCCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000585655901 539104395 /nfs/dbraw/zinc/10/43/95/539104395.db2.gz MDDNZXOVVPQAJN-UHFFFAOYSA-N -1 0 299.239 1.650 50 5 CDBARM C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000336652517 356226786 /nfs/dbraw/zinc/22/67/86/356226786.db2.gz IMKAISKXGMJCSY-UHFFFAOYSA-N -1 0 285.108 1.810 50 5 CDBARM O=C([O-])c1ccc(Cn2ccc([N+](=O)[O-])n2)s1 ZINC000012357620 359045809 /nfs/dbraw/zinc/04/58/09/359045809.db2.gz YMBYQKLENUMWGB-UHFFFAOYSA-N -1 0 253.239 1.599 50 5 CDBARM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC(F)F ZINC000184611096 189390791 /nfs/dbraw/zinc/39/07/91/189390791.db2.gz MEUQSUOMMMTHNG-UHFFFAOYSA-N -1 0 280.252 1.279 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[nH]n2)c1 ZINC000129863186 369910431 /nfs/dbraw/zinc/91/04/31/369910431.db2.gz VVCLRWHBQKPHRB-SECBINFHSA-N -1 0 276.300 1.656 50 5 CDBARM Cc1cccc(Cn2nc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000000368958 169620436 /nfs/dbraw/zinc/62/04/36/169620436.db2.gz FURRFXKSOBFGBH-UHFFFAOYSA-N -1 0 261.237 1.846 50 5 CDBARM COc1ccc2sc(C(=O)[O-])nc2c1[N+](=O)[O-] ZINC000038540842 295280622 /nfs/dbraw/zinc/28/06/22/295280622.db2.gz KFABCBLZDFFRFD-UHFFFAOYSA-N -1 0 254.223 1.911 50 5 CDBARM COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000124474518 187139239 /nfs/dbraw/zinc/13/92/39/187139239.db2.gz UDCLLDJBPDFGPB-SNVBAGLBSA-N -1 0 280.280 1.455 50 5 CDBARM O=C([O-])[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000022176812 304107171 /nfs/dbraw/zinc/10/71/71/304107171.db2.gz LEFPKMYHXKKXMH-VIFPVBQESA-N -1 0 251.242 1.433 50 5 CDBARM CC[NH+]1CCN(Cc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000019608683 374763199 /nfs/dbraw/zinc/76/31/99/374763199.db2.gz SXMPDLXIWDMVBH-UHFFFAOYSA-N -1 0 265.313 1.438 50 5 CDBARM O=C([O-])CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020200014 184535418 /nfs/dbraw/zinc/53/54/18/184535418.db2.gz PIUYRRBJDYMNDK-UHFFFAOYSA-N -1 0 272.644 1.453 50 5 CDBARM CN(CC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021812498 171330158 /nfs/dbraw/zinc/33/01/58/171330158.db2.gz YEUCYFFHFOXFMJ-UHFFFAOYSA-N -1 0 253.214 1.143 50 5 CDBARM Cc1ccsc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000015009235 366030492 /nfs/dbraw/zinc/03/04/92/366030492.db2.gz PIVANJNCMHZARN-NSCUHMNNSA-N -1 0 279.277 1.924 50 5 CDBARM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000003884754 304041951 /nfs/dbraw/zinc/04/19/51/304041951.db2.gz DRYNZADLEOKUOZ-UHFFFAOYSA-N -1 0 295.251 1.804 50 5 CDBARM O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003016640 295983019 /nfs/dbraw/zinc/98/30/19/295983019.db2.gz BFXFLDBDGZXSDO-UHFFFAOYSA-N -1 0 295.236 1.607 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000000255529 359400461 /nfs/dbraw/zinc/40/04/61/359400461.db2.gz CZRISBMGZLRLED-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccncc1 ZINC000000333752 359520026 /nfs/dbraw/zinc/52/00/26/359520026.db2.gz BYBWNRWKFSHCJU-UHFFFAOYSA-N -1 0 293.304 1.468 50 5 CDBARM Cn1c2ccccc2c(Cl)c2c(=O)[n-]c(=O)nc1-2 ZINC000066339769 374315041 /nfs/dbraw/zinc/31/50/41/374315041.db2.gz WHSUEMUITSWYPN-UHFFFAOYSA-N -1 0 261.668 1.380 50 5 CDBARM Cc1cc(C(=O)N[C@H](C)C(=O)[O-])cc(C)c1[N+](=O)[O-] ZINC000020073921 374842285 /nfs/dbraw/zinc/84/22/85/374842285.db2.gz BWVNLLKSGWQMLH-MRVPVSSYSA-N -1 0 266.253 1.415 50 5 CDBARM O=C([O-])CSc1ccc([N+](=O)[O-])c2nonc21 ZINC000002944612 375377010 /nfs/dbraw/zinc/37/70/10/375377010.db2.gz PRBSYBDYLHMABV-UHFFFAOYSA-N -1 0 255.211 1.308 50 5 CDBARM COC(=O)c1c([O-])c([N+](=O)[O-])cc(Br)c1F ZINC000169800514 392380551 /nfs/dbraw/zinc/38/05/51/392380551.db2.gz SVVHWSJBDAXMOR-UHFFFAOYSA-N -1 0 294.032 1.989 50 5 CDBARM CCCCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000097052971 185517426 /nfs/dbraw/zinc/51/74/26/185517426.db2.gz RWCSGRJGMORDQF-CQSZACIVSA-N -1 0 293.323 1.921 50 5 CDBARM O=C([O-])[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000033448325 359721473 /nfs/dbraw/zinc/72/14/73/359721473.db2.gz IHLBVFOIRJLQLE-LLVKDONJSA-N -1 0 294.263 1.049 50 5 CDBARM COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000113435624 374254926 /nfs/dbraw/zinc/25/49/26/374254926.db2.gz DETKWRJPNPQDRP-SNVBAGLBSA-N -1 0 294.307 1.799 50 5 CDBARM Cc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1[N+](=O)[O-] ZINC000003832978 375801293 /nfs/dbraw/zinc/80/12/93/375801293.db2.gz WJZMWXPOPYYVGC-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000096408024 256769034 /nfs/dbraw/zinc/76/90/34/256769034.db2.gz RJHCNBWIRRKPHI-UHFFFAOYSA-N -1 0 299.333 1.582 50 5 CDBARM O=C(NCCc1ccc[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052745 390664671 /nfs/dbraw/zinc/66/46/71/390664671.db2.gz BMXZDZUUCRTUTK-UHFFFAOYSA-N -1 0 275.264 1.601 50 5 CDBARM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[O-] ZINC000002160315 301284053 /nfs/dbraw/zinc/28/40/53/301284053.db2.gz YDUCLWWEAHQIAE-UHFFFAOYSA-N -1 0 251.647 1.803 50 5 CDBARM Cc1c(Cl)cc([N+](=O)[O-])c(OCC(=O)[O-])c1[N+](=O)[O-] ZINC001772491503 1187279504 /nfs/dbraw/zinc/27/95/04/1187279504.db2.gz VJOLFULSDGMYHV-UHFFFAOYSA-N -1 0 290.615 1.928 50 5 CDBARM O=C([O-])[C@@H]1CS[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000000099238 169535750 /nfs/dbraw/zinc/53/57/50/169535750.db2.gz WNEKIYRMXWCTGY-MHTLYPKNSA-N -1 0 260.296 1.445 50 5 CDBARM O=C([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000003884577 304246912 /nfs/dbraw/zinc/24/69/12/304246912.db2.gz SREBONXEMNOUKV-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM O=C(NCCc1cscn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097112790 390796140 /nfs/dbraw/zinc/79/61/40/390796140.db2.gz BKRGEHBRLHZPOG-UHFFFAOYSA-N -1 0 293.304 1.729 50 5 CDBARM COC(=O)c1ccc(/C=C/C(=O)[O-])c([N+](=O)[O-])c1 ZINC000044201272 175153715 /nfs/dbraw/zinc/15/37/15/175153715.db2.gz OBXIHACULRGOCJ-SNAWJCMRSA-N -1 0 251.194 1.479 50 5 CDBARM Cn1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000032796797 260145853 /nfs/dbraw/zinc/14/58/53/260145853.db2.gz NAAVFVUNRYHPFT-UHFFFAOYSA-N -1 0 286.251 1.457 50 5 CDBARM COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C(=O)[O-])c1 ZINC000063110850 362937702 /nfs/dbraw/zinc/93/77/02/362937702.db2.gz BFJUWLJOOCIGLJ-LURJTMIESA-N -1 0 268.225 1.266 50 5 CDBARM O=Cc1cc([N+](=O)[O-])cc(I)c1[O-] ZINC000000224776 359332133 /nfs/dbraw/zinc/33/21/33/359332133.db2.gz CNHWDOFIWJSFFV-UHFFFAOYSA-N -1 0 293.016 1.718 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2O)[nH]1 ZINC000003898357 169922298 /nfs/dbraw/zinc/92/22/98/169922298.db2.gz ZRWFODUHPFTRCH-AATRIKPKSA-N -1 0 275.220 1.260 50 5 CDBARM COc1cc([N+](=O)[O-])cc(C=O)c1O[C@H](C)C(=O)[O-] ZINC000006007863 170167849 /nfs/dbraw/zinc/16/78/49/170167849.db2.gz MIQCEOGOTBKVCB-ZCFIWIBFSA-N -1 0 269.209 1.268 50 5 CDBARM O=C(Nc1nnn[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006505498 170208092 /nfs/dbraw/zinc/20/80/92/170208092.db2.gz LXWPRNUNOUWFAO-UHFFFAOYSA-N -1 0 268.620 1.014 50 5 CDBARM CC[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000008783276 170356112 /nfs/dbraw/zinc/35/61/12/170356112.db2.gz JIHPLKCSWVVOEC-BYPYZUCNSA-N -1 0 267.163 1.846 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@@H]12 ZINC000013690217 170579323 /nfs/dbraw/zinc/57/93/23/170579323.db2.gz FLBRQVBTNGJUMJ-PWSUYJOCSA-N -1 0 294.332 1.774 50 5 CDBARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000998110 278075675 /nfs/dbraw/zinc/07/56/75/278075675.db2.gz REBNNJYJJRIBGJ-QWRGUYRKSA-N -1 0 296.304 1.642 50 5 CDBARM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1 ZINC000097235732 290030010 /nfs/dbraw/zinc/03/00/10/290030010.db2.gz DIUUDTUGQXODFQ-UHFFFAOYSA-N -1 0 293.323 1.467 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)O1 ZINC000015443252 297079949 /nfs/dbraw/zinc/07/99/49/297079949.db2.gz UIPNFRABNZPIBW-RKDXNWHRSA-N -1 0 280.280 1.907 50 5 CDBARM Cc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000013170418 300921688 /nfs/dbraw/zinc/92/16/88/300921688.db2.gz YXPJDHLGMOJNAX-JTQLQIEISA-N -1 0 292.291 1.840 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(F)cc2)[nH]1 ZINC000004501607 356371221 /nfs/dbraw/zinc/37/12/21/356371221.db2.gz VRYZGNADRIKCIK-ZZXKWVIFSA-N -1 0 277.211 1.693 50 5 CDBARM COC(=O)CCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000095426825 374927535 /nfs/dbraw/zinc/92/75/35/374927535.db2.gz GISMMNPGLJZONQ-UHFFFAOYSA-N -1 0 296.279 1.374 50 5 CDBARM COc1ccc(NC(=O)/C=C/C(=O)[O-])c([N+](=O)[O-])c1 ZINC000004006396 375836263 /nfs/dbraw/zinc/83/62/63/375836263.db2.gz ZKDLZLOZDAKBIO-SNAWJCMRSA-N -1 0 266.209 1.183 50 5 CDBARM C[N+](C)(C)CCO[P@@](=O)([O-])OCCCCCC(=O)[O-] ZINC000022065877 171351947 /nfs/dbraw/zinc/35/19/47/171351947.db2.gz QOEUIJHOOHSYPA-UHFFFAOYSA-O -1 0 298.296 1.471 50 5 in-vitro CDBARM CCOC(=O)c1ccc(NCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000071196128 176076268 /nfs/dbraw/zinc/07/62/68/176076268.db2.gz IOJCFTJBMNJGLJ-UHFFFAOYSA-N -1 0 268.225 1.268 50 5 CDBARM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000003188207 359237370 /nfs/dbraw/zinc/23/73/70/359237370.db2.gz QGLVMZIDDUDYQZ-SNVBAGLBSA-N -1 0 266.253 1.434 50 5 CDBARM CCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000000311953 359481870 /nfs/dbraw/zinc/48/18/70/359481870.db2.gz ZQJITFNZEBENHG-VIFPVBQESA-N -1 0 296.279 1.125 50 5 CDBARM Nc1ccc([N+](=O)[O-])cc1-c1n[nH]c(=S)[n-]c1=O ZINC000004018158 371836104 /nfs/dbraw/zinc/83/61/04/371836104.db2.gz ZKLLGDRMXXVNDF-UHFFFAOYSA-N -1 0 265.254 1.397 50 5 CDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1 ZINC000002742776 375308956 /nfs/dbraw/zinc/30/89/56/375308956.db2.gz SXYPIRRJAYPWJM-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1[O-] ZINC000004838236 170026907 /nfs/dbraw/zinc/02/69/07/170026907.db2.gz BPBMXUKMXJKJNY-NXEZZACHSA-N -1 0 296.323 1.918 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2F)[nH]1 ZINC000013593336 357189550 /nfs/dbraw/zinc/18/95/50/357189550.db2.gz WTMMNABBVHOZLT-AATRIKPKSA-N -1 0 277.211 1.281 50 5 CDBARM CC1(C(=O)[O-])COC(c2ccc([N+](=O)[O-])cc2)OC1 ZINC000000087581 358394920 /nfs/dbraw/zinc/39/49/20/358394920.db2.gz RHBFUMRYUOSFNM-UHFFFAOYSA-N -1 0 267.237 1.731 50 5 CDBARM O=C([O-])[C@@H]1CCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O1 ZINC000071778214 304129209 /nfs/dbraw/zinc/12/92/09/304129209.db2.gz YYULGVYLSQGCRW-QMMMGPOBSA-N -1 0 268.181 1.281 50 5 CDBARM COCCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000670417735 482934786 /nfs/dbraw/zinc/93/47/86/482934786.db2.gz YFNBNBYRJBRPMO-UHFFFAOYSA-N -1 0 285.212 1.260 50 5 CDBARM O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000004710363 304188552 /nfs/dbraw/zinc/18/85/52/304188552.db2.gz SDIANLQYYYDMEV-SNVBAGLBSA-N -1 0 254.217 1.787 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000040546108 378310014 /nfs/dbraw/zinc/31/00/14/378310014.db2.gz CHGNZZMBMWEDSP-LLVKDONJSA-N -1 0 293.279 1.984 50 5 CDBARM O=C([O-])c1nc2ccc(C(F)(F)F)cn2c1[N+](=O)[O-] ZINC000040566634 304283546 /nfs/dbraw/zinc/28/35/46/304283546.db2.gz FVFFBUVCAVHRQG-UHFFFAOYSA-N -1 0 275.142 1.960 50 5 CDBARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000011919892 393046341 /nfs/dbraw/zinc/04/63/41/393046341.db2.gz MGZNHWUKOICZHV-WDEREUQCSA-N -1 0 288.263 1.006 50 5 CDBARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000019276425 301095533 /nfs/dbraw/zinc/09/55/33/301095533.db2.gz GQHRWPKZHAUFMN-LLVKDONJSA-N -1 0 278.264 1.592 50 5 CDBARM Cc1cc([N+](=O)[O-])c(N2CC(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000004054558 301424556 /nfs/dbraw/zinc/42/45/56/301424556.db2.gz VDTWPDYIEBUZAL-UHFFFAOYSA-N -1 0 281.224 1.332 50 5 CDBARM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cnn(C)c1 ZINC000195567469 323572434 /nfs/dbraw/zinc/57/24/34/323572434.db2.gz BSFAGYMPGFURMX-QMMMGPOBSA-N -1 0 290.279 1.525 50 5 CDBARM O=C([O-])CSc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000001314162 326794347 /nfs/dbraw/zinc/79/43/47/326794347.db2.gz LEIJUUNMDKBYLE-UHFFFAOYSA-N -1 0 289.656 1.961 50 5 CDBARM COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C(=O)[O-] ZINC000000038717 482456624 /nfs/dbraw/zinc/45/66/24/482456624.db2.gz MRKPTXZBUGDKNJ-SNAWJCMRSA-N -1 0 266.209 1.183 50 5 CDBARM Nc1nc([N-]c2ccn(CC(F)F)n2)ncc1[N+](=O)[O-] ZINC000096452695 534748679 /nfs/dbraw/zinc/74/86/79/534748679.db2.gz LTBKDDDDQZJJPI-UHFFFAOYSA-N -1 0 285.214 1.172 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2)[nH]1 ZINC000004071054 230368379 /nfs/dbraw/zinc/36/83/79/230368379.db2.gz ITFUSTYTUCGMEV-VOTSOKGWSA-N -1 0 259.221 1.554 50 5 CDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C)C[N+](=O)[O-] ZINC000100373888 185713764 /nfs/dbraw/zinc/71/37/64/185713764.db2.gz MLRDEESSCJSTAE-BXKDBHETSA-N -1 0 261.281 1.938 50 5 CDBARM O=C(NC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123111090 187071723 /nfs/dbraw/zinc/07/17/23/187071723.db2.gz JEUCZPWXLROXMS-MRVPVSSYSA-N -1 0 266.253 1.067 50 5 CDBARM O=C([O-])c1ccn(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000002535574 356175584 /nfs/dbraw/zinc/17/55/84/356175584.db2.gz LCPFWRACPMSKTR-UHFFFAOYSA-N -1 0 263.209 1.526 50 5 CDBARM CN(CCC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000037931283 364530105 /nfs/dbraw/zinc/53/01/05/364530105.db2.gz GRECWGSGMCVYQR-UHFFFAOYSA-N -1 0 252.226 1.142 50 5 CDBARM O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004517272 304188639 /nfs/dbraw/zinc/18/86/39/304188639.db2.gz MVZXUWLTGGBNHL-SECBINFHSA-N -1 0 281.224 1.556 50 5 in-vitro CDBARM O=C([O-])c1ccc(I)cc1[N+](=O)[O-] ZINC000016698051 304245904 /nfs/dbraw/zinc/24/59/04/304245904.db2.gz IZBFYNYRKIUGSG-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 in-vitro CDBARM COc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000164801980 139923163 /nfs/dbraw/zinc/92/31/63/139923163.db2.gz PVEHFFINWSOWAG-JGVFFNPUSA-N -1 0 296.279 1.442 50 5 CDBARM CNc1ccc([N+](=O)[O-])cc1NC(=O)CCCC(=O)[O-] ZINC000022060011 171351555 /nfs/dbraw/zinc/35/15/55/171351555.db2.gz IEBOWQSCVIKQHZ-UHFFFAOYSA-N -1 0 281.268 1.830 50 5 in-vitro CDBARM CC(C)[C@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000191425 280187026 /nfs/dbraw/zinc/18/70/26/280187026.db2.gz WYZPKTOYRYTTRJ-SNVBAGLBSA-N -1 0 292.247 1.300 50 5 CDBARM COc1cc(C(=O)N[C@H](C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000165374820 294942561 /nfs/dbraw/zinc/94/25/61/294942561.db2.gz KQOVFOIFORXHNM-MRVPVSSYSA-N -1 0 296.279 1.587 50 5 CDBARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000019276427 301097688 /nfs/dbraw/zinc/09/76/88/301097688.db2.gz GQHRWPKZHAUFMN-NSHDSACASA-N -1 0 278.264 1.592 50 5 CDBARM O=c1ccnc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[nH]1 ZINC000098053054 688182062 /nfs/dbraw/zinc/18/20/62/688182062.db2.gz HSDCQHZOSBIZRD-RJRFIUFISA-N -1 0 259.221 1.554 50 5 CDBARM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000097032316 185156024 /nfs/dbraw/zinc/15/60/24/185156024.db2.gz WPPYAELOOYAGNF-UHFFFAOYSA-N -1 0 296.670 1.940 50 5 CDBARM O=C([O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000166519914 304088940 /nfs/dbraw/zinc/08/89/40/304088940.db2.gz MLZLMIGRMVOYLK-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM COc1cc([N+](=O)[O-])cc(CCC(=O)[O-])c1OC ZINC000030952745 375702646 /nfs/dbraw/zinc/70/26/46/375702646.db2.gz XMEKYUKXPIMEOJ-UHFFFAOYSA-N -1 0 255.226 1.629 50 5 CDBARM O=C([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](O)C1 ZINC000014988049 304265439 /nfs/dbraw/zinc/26/54/39/304265439.db2.gz BWCOOSUVLBNQHD-MRVPVSSYSA-N -1 0 266.253 1.254 50 5 CDBARM C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCOC1 ZINC000127829043 390799610 /nfs/dbraw/zinc/79/96/10/390799610.db2.gz ZOCMDCPIMYHBPW-GFCCVEGCSA-N -1 0 266.253 1.209 50 5 CDBARM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020557907 171250867 /nfs/dbraw/zinc/25/08/67/171250867.db2.gz DZPYKYTXQZEIAJ-LURJTMIESA-N -1 0 253.214 1.189 50 5 CDBARM O=C([O-])C1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000006662626 304041925 /nfs/dbraw/zinc/04/19/25/304041925.db2.gz KMEBYHWMIVETBF-UHFFFAOYSA-N -1 0 292.251 1.432 50 5 CDBARM COc1cc(C(=O)CCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000002168001 367686146 /nfs/dbraw/zinc/68/61/46/367686146.db2.gz AOWBIDDDHVSFPH-UHFFFAOYSA-N -1 0 283.236 1.660 50 5 CDBARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000002750021 304137897 /nfs/dbraw/zinc/13/78/97/304137897.db2.gz ZVOYQTDOMWNUHN-IONNQARKSA-N -1 0 254.267 1.383 50 5 CDBARM O=C([O-])c1cc(Br)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002147511 304220843 /nfs/dbraw/zinc/22/08/43/304220843.db2.gz XQXYHTAMADVPIY-UHFFFAOYSA-N -1 0 291.013 1.964 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000003886315 304228171 /nfs/dbraw/zinc/22/81/71/304228171.db2.gz MRCONLVSTRNJQT-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM Cc1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1C(=O)[O-] ZINC000001104366 169690432 /nfs/dbraw/zinc/69/04/32/169690432.db2.gz DLGXTORHUOBXGK-UHFFFAOYSA-N -1 0 288.223 1.034 50 5 CDBARM CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000005721755 170133126 /nfs/dbraw/zinc/13/31/26/170133126.db2.gz PXNODMWVXRPCGD-WRWORJQWSA-N -1 0 266.253 1.288 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCSC[C@@H]12 ZINC000013690218 170579194 /nfs/dbraw/zinc/57/91/94/170579194.db2.gz FLBRQVBTNGJUMJ-JQWIXIFHSA-N -1 0 294.332 1.774 50 5 CDBARM Cc1cc(=O)c(C(=O)[O-])cn1Nc1cccc([N+](=O)[O-])c1 ZINC000020366145 171164701 /nfs/dbraw/zinc/16/47/01/171164701.db2.gz CAVKMZCYKVFBDF-UHFFFAOYSA-N -1 0 289.247 1.638 50 5 CDBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000004218461 304023678 /nfs/dbraw/zinc/02/36/78/304023678.db2.gz MCPJKEKUWWGPCL-OWOJBTEDSA-N -1 0 251.194 1.559 50 5 CDBARM CCC[N@H+](CCO)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000023281310 358657467 /nfs/dbraw/zinc/65/74/67/358657467.db2.gz ZOAVJKSVTUEEKF-UHFFFAOYSA-N -1 0 284.312 1.513 50 5 CDBARM O=C([O-])[C@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000002750019 304202344 /nfs/dbraw/zinc/20/23/44/304202344.db2.gz ZVOYQTDOMWNUHN-VXNVDRBHSA-N -1 0 254.267 1.383 50 5 CDBARM CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c(=O)[n-]1 ZINC000006016451 170168436 /nfs/dbraw/zinc/16/84/36/170168436.db2.gz ZAJTVVHEPICRJN-UHFFFAOYSA-N -1 0 263.209 1.420 50 5 CDBARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000998108 278075084 /nfs/dbraw/zinc/07/50/84/278075084.db2.gz REBNNJYJJRIBGJ-MNOVXSKESA-N -1 0 296.304 1.642 50 5 CDBARM Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000001225894 365530499 /nfs/dbraw/zinc/53/04/99/365530499.db2.gz HRCVVJMGAMTNTE-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM O=C([O-])[C@@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000000077921 358254336 /nfs/dbraw/zinc/25/43/36/358254336.db2.gz SALHXESGFYVCIK-IUCAKERBSA-N -1 0 254.267 1.383 50 5 CDBARM COCCOC(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000002164959 367684651 /nfs/dbraw/zinc/68/46/51/367684651.db2.gz JXIQXWIUZSSGAS-UHFFFAOYSA-N -1 0 267.237 1.357 50 5 CDBARM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000018227586 374672355 /nfs/dbraw/zinc/67/23/55/374672355.db2.gz LGUKSUMQFBALJX-UWVGGRQHSA-N -1 0 288.259 1.756 50 5 CDBARM CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000095287808 374877618 /nfs/dbraw/zinc/87/76/18/374877618.db2.gz LCBICZIJFVXJMP-SNVBAGLBSA-N -1 0 290.283 1.379 50 5 CDBARM CCOc1ccc(NC(=O)/C=C\C(=O)[O-])c([N+](=O)[O-])c1 ZINC000030784291 375666157 /nfs/dbraw/zinc/66/61/57/375666157.db2.gz FLESIQSNLIUBLG-WAYWQWQTSA-N -1 0 280.236 1.573 50 5 CDBARM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000003379267 375667773 /nfs/dbraw/zinc/66/77/73/375667773.db2.gz IJKNALURSDMKGW-RXMQYKEDSA-N -1 0 272.644 1.451 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(F)c2)[nH]1 ZINC000030840446 375679411 /nfs/dbraw/zinc/67/94/11/375679411.db2.gz AEWZUNRDZSLGDO-PLNGDYQASA-N -1 0 277.211 1.281 50 5 CDBARM O=C([O-])CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003864409 375805350 /nfs/dbraw/zinc/80/53/50/375805350.db2.gz VZQBXLQRVMDXRH-UHFFFAOYSA-N -1 0 269.213 1.780 50 5 CDBARM O=C([O-])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020200012 392245008 /nfs/dbraw/zinc/24/50/08/392245008.db2.gz NBLDWIRTQDAYEV-UHFFFAOYSA-N -1 0 258.617 1.063 50 5 CDBARM O=C([O-])c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000002537652 169805458 /nfs/dbraw/zinc/80/54/58/169805458.db2.gz OUWIJNSUNBJBBH-UHFFFAOYSA-N -1 0 263.209 1.526 50 5 CDBARM O=c1c([N+](=O)[O-])c(/C=C/c2ccccc2)nc2nc[n-]n21 ZINC000110433889 342089495 /nfs/dbraw/zinc/08/94/95/342089495.db2.gz RRYZRSFGPGRNEA-VOTSOKGWSA-N -1 0 283.247 1.496 50 5 CDBARM CCCCCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000097052967 357935994 /nfs/dbraw/zinc/93/59/94/357935994.db2.gz RWCSGRJGMORDQF-AWEZNQCLSA-N -1 0 293.323 1.921 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000095445272 374946545 /nfs/dbraw/zinc/94/65/45/374946545.db2.gz GKTORIHUOYTAPN-UHFFFAOYSA-N -1 0 296.308 1.736 50 5 CDBARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000003566088 375749800 /nfs/dbraw/zinc/74/98/00/375749800.db2.gz MDYWMXIKJJCTJF-UHFFFAOYSA-N -1 0 296.308 1.736 50 5 CDBARM CC(=O)Nc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC(C)=O)c1C ZINC000005536679 278185424 /nfs/dbraw/zinc/18/54/24/278185424.db2.gz YPXUEOWILCFEGO-UHFFFAOYSA-N -1 0 295.251 1.518 50 5 CDBARM C[C@@H]1Cc2cccc3c2n1c(=O)c1c([O-])cc(=O)oc31 ZINC000006556199 297500141 /nfs/dbraw/zinc/50/01/41/297500141.db2.gz FHMBSXJPLDOCKT-SSDOTTSWSA-N -1 0 269.256 1.931 50 5 CDBARM Cn1cc([N+](=O)[O-])c(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000095098562 302943442 /nfs/dbraw/zinc/94/34/42/302943442.db2.gz OJQONFWSGXETFI-UHFFFAOYSA-N -1 0 263.209 1.819 50 5 CDBARM Cc1c(NC(=O)/C=C/C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038715 482456646 /nfs/dbraw/zinc/45/66/46/482456646.db2.gz VGTIHPBDEOOTNO-AATRIKPKSA-N -1 0 250.210 1.483 50 5 CDBARM CN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000095982346 185054241 /nfs/dbraw/zinc/05/42/41/185054241.db2.gz KJXNZGQCAUWBAK-UHFFFAOYSA-N -1 0 295.339 1.647 50 5 CDBARM O=[N+]([O-])c1cc(C(=S)N2CCOCC2)ccc1[O-] ZINC000004637319 357440165 /nfs/dbraw/zinc/44/01/65/357440165.db2.gz JMOTZNZFPYISJB-UHFFFAOYSA-N -1 0 268.294 1.308 50 5 CDBARM O=Cc1cc(I)c([O-])c([N+](=O)[O-])c1 ZINC000006057270 361196804 /nfs/dbraw/zinc/19/68/04/361196804.db2.gz NVMYBVZAFRMSDV-UHFFFAOYSA-N -1 0 293.016 1.718 50 5 CDBARM CC(C)(CO)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000042783970 379636044 /nfs/dbraw/zinc/63/60/44/379636044.db2.gz OUWNOYCMJMLCPU-UHFFFAOYSA-N -1 0 254.242 1.476 50 5 CDBARM COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C(=O)[O-] ZINC000006090882 170175206 /nfs/dbraw/zinc/17/52/06/170175206.db2.gz MRKPTXZBUGDKNJ-PLNGDYQASA-N -1 0 266.209 1.183 50 5 CDBARM COc1cc(C=C2SC(=O)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000039780179 174173378 /nfs/dbraw/zinc/17/33/78/174173378.db2.gz NUKUFIYNEFXNIP-YWEYNIOJSA-N -1 0 296.260 1.633 50 5 CDBARM O=Cc1cc(S(=O)(=O)C(F)(F)F)cc([N+](=O)[O-])c1[O-] ZINC000001168519 304724388 /nfs/dbraw/zinc/72/43/88/304724388.db2.gz WIQAZGGRKNRNPN-UHFFFAOYSA-N -1 0 299.182 1.406 50 5 CDBARM O=C([O-])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000038721 482456604 /nfs/dbraw/zinc/45/66/04/482456604.db2.gz MBXPMPSJKIGXDY-UHFFFAOYSA-N -1 0 256.189 1.537 50 5 CDBARM O=C([O-])COc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC001772491472 1187280308 /nfs/dbraw/zinc/28/03/08/1187280308.db2.gz FSRUSMLKVBFOBJ-UHFFFAOYSA-N -1 0 276.588 1.620 50 5 CDBARM O=C([O-])c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000004342581 304265272 /nfs/dbraw/zinc/26/52/72/304265272.db2.gz HMDGHIWDEAZTDZ-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000011919897 390917702 /nfs/dbraw/zinc/91/77/02/390917702.db2.gz FZZIZIKYNJDVFZ-GHMZBOCLSA-N -1 0 288.263 1.006 50 5 biogenic CDBARM Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])on1 ZINC000097097107 397959126 /nfs/dbraw/zinc/95/91/26/397959126.db2.gz FECIOMJTULOXJK-UHFFFAOYSA-N -1 0 277.236 1.527 50 5 CDBARM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000000183993 301433669 /nfs/dbraw/zinc/43/36/69/301433669.db2.gz GSASPEJNWFVWQK-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br ZINC000003163567 304227862 /nfs/dbraw/zinc/22/78/62/304227862.db2.gz BBKJKUFARRJPRP-UHFFFAOYSA-N -1 0 291.013 1.964 50 5 CDBARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000011919899 390917670 /nfs/dbraw/zinc/91/76/70/390917670.db2.gz FZZIZIKYNJDVFZ-MNOVXSKESA-N -1 0 288.263 1.006 50 5 biogenic CDBARM CC(=O)N1[C@@H](c2ccc([N+](=O)[O-])cc2)SC[C@@H]1C(=O)[O-] ZINC000000185047 278075088 /nfs/dbraw/zinc/07/50/88/278075088.db2.gz DPFVSVGVJVQKSP-GHMZBOCLSA-N -1 0 296.304 1.642 50 5 CDBARM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000036386323 361922496 /nfs/dbraw/zinc/92/24/96/361922496.db2.gz XSQOHEZHSHGMRJ-ZETCQYMHSA-N -1 0 250.254 1.829 50 5 CDBARM Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])[nH]1 ZINC000023718493 359362273 /nfs/dbraw/zinc/36/22/73/359362273.db2.gz OVUKYCLEDOZVGU-UHFFFAOYSA-N -1 0 299.264 1.041 50 5 CDBARM C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517567 169976963 /nfs/dbraw/zinc/97/69/63/169976963.db2.gz KKHLKORVTUUSBC-RXMQYKEDSA-N -1 0 255.186 1.388 50 5 CDBARM CC(=O)Nc1c(C)c(N)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000005336565 170087080 /nfs/dbraw/zinc/08/70/80/170087080.db2.gz BTBNIDUYZBWBIO-UHFFFAOYSA-N -1 0 253.214 1.142 50 5 CDBARM CCN(CCC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000038022933 174004586 /nfs/dbraw/zinc/00/45/86/174004586.db2.gz ZIWRZILAOROAGA-UHFFFAOYSA-N -1 0 266.253 1.532 50 5 CDBARM O=C(NN1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119381903 186824673 /nfs/dbraw/zinc/82/46/73/186824673.db2.gz XEGATSPMTJBLTP-UHFFFAOYSA-N -1 0 265.269 1.431 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535577 356064962 /nfs/dbraw/zinc/06/49/62/356064962.db2.gz GYDKEMBMWHHRNN-UHFFFAOYSA-N -1 0 277.236 1.834 50 5 CDBARM Cc1n[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1=O ZINC000096316548 357331000 /nfs/dbraw/zinc/33/10/00/357331000.db2.gz PJNFTDAPKXTSQV-UHFFFAOYSA-N -1 0 278.293 1.674 50 5 CDBARM Cn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002775040 375322994 /nfs/dbraw/zinc/32/29/94/375322994.db2.gz JQLCEJHPQNHQTF-UHFFFAOYSA-N -1 0 282.281 1.129 50 5 CDBARM O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12 ZINC000005347337 304206061 /nfs/dbraw/zinc/20/60/61/304206061.db2.gz ANESJQQRIFXIQS-CMPLNLGQSA-N -1 0 262.265 1.821 50 5 CDBARM Cc1nc([N+](=O)[O-])c(Br)n1CCC(=O)[O-] ZINC000040162868 302644759 /nfs/dbraw/zinc/64/47/59/302644759.db2.gz CAVNLDPSIVBZKT-UHFFFAOYSA-N -1 0 278.062 1.337 50 5 CDBARM Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000097235733 323207875 /nfs/dbraw/zinc/20/78/75/323207875.db2.gz CEFIQEXCQVXMPZ-UHFFFAOYSA-N -1 0 290.279 1.272 50 5 CDBARM O=c1[n-]c(=O)c(SCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000000069504 358095813 /nfs/dbraw/zinc/09/58/13/358095813.db2.gz IATOGVGBVDKIIY-UHFFFAOYSA-N -1 0 280.265 1.071 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)[O-] ZINC000000125588 359120326 /nfs/dbraw/zinc/12/03/26/359120326.db2.gz PHSZXRAMYNBQCH-UHFFFAOYSA-N -1 0 252.226 1.707 50 5 CDBARM O=C([O-])[C@@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-] ZINC000004105164 304115507 /nfs/dbraw/zinc/11/55/07/304115507.db2.gz PGTVZKIDMGTHTK-ZETCQYMHSA-N -1 0 271.660 1.697 50 5 CDBARM O=C([O-])CCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002547888 375203177 /nfs/dbraw/zinc/20/31/77/375203177.db2.gz SWEYUZMSQYUAIL-UHFFFAOYSA-N -1 0 254.198 1.910 50 5 CDBARM O=C([O-])CNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003905406 375811744 /nfs/dbraw/zinc/81/17/44/375811744.db2.gz GBUPCUONHLYFIU-UHFFFAOYSA-N -1 0 264.193 1.198 50 5 CDBARM O=C([O-])C1=NC(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000005517540 170107061 /nfs/dbraw/zinc/10/70/61/170107061.db2.gz ZFRQKLZGJTVTNN-ZETCQYMHSA-N -1 0 297.654 1.571 50 5 CDBARM Cc1ccc(S(=O)(=O)[N-]c2ccon2)c([N+](=O)[O-])c1 ZINC000096005666 185063291 /nfs/dbraw/zinc/06/32/91/185063291.db2.gz OYJYKUGYLCVUOB-UHFFFAOYSA-N -1 0 283.265 1.692 50 5 CDBARM O=C([O-])c1cc(-c2cc([N+](=O)[O-])ccc2F)[nH]n1 ZINC000725264742 538455783 /nfs/dbraw/zinc/45/57/83/538455783.db2.gz SMMCRNAQLDPPCI-UHFFFAOYSA-N -1 0 251.173 1.822 50 5 CDBARM Cc1nn(Cc2ccc(C(=O)[O-])o2)c(C)c1[N+](=O)[O-] ZINC000000812248 359089566 /nfs/dbraw/zinc/08/95/66/359089566.db2.gz WWNBPKPNFYJWDG-UHFFFAOYSA-N -1 0 265.225 1.748 50 5 CDBARM COC(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000000258664 359404902 /nfs/dbraw/zinc/40/49/02/359404902.db2.gz SAEIIYOZDVRWDM-UHFFFAOYSA-N -1 0 271.250 1.558 50 5 CDBARM O=C([O-])[C@H]1CCCN1c1nc(Cl)ccc1[N+](=O)[O-] ZINC000004105163 304188835 /nfs/dbraw/zinc/18/88/35/304188835.db2.gz PGTVZKIDMGTHTK-SSDOTTSWSA-N -1 0 271.660 1.697 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000003160586 304227492 /nfs/dbraw/zinc/22/74/92/304227492.db2.gz CEKRKRORVUEWMI-UHFFFAOYSA-N -1 0 291.013 1.964 50 5 CDBARM O=C([O-])c1cccn2c(=O)c3ccc(F)cc3nc12 ZINC000035462743 304272116 /nfs/dbraw/zinc/27/21/16/304272116.db2.gz QCJKZCNLDXRIPR-UHFFFAOYSA-N -1 0 258.208 1.685 50 5 CDBARM CCOC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005125349 170068357 /nfs/dbraw/zinc/06/83/57/170068357.db2.gz SLZGNLCNDUCQFA-UHFFFAOYSA-N -1 0 274.254 1.030 50 5 CDBARM CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000007348127 170278251 /nfs/dbraw/zinc/27/82/51/170278251.db2.gz FWGJCFHBEVCPTF-UHFFFAOYSA-N -1 0 268.254 1.854 50 5 CDBARM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc1Cl ZINC000001669670 301427406 /nfs/dbraw/zinc/42/74/06/301427406.db2.gz JTZLIGVBEAGAFZ-UHFFFAOYSA-N -1 0 251.647 1.803 50 5 CDBARM O=C([N-]c1nnc([C@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1 ZINC000010970587 356664353 /nfs/dbraw/zinc/66/43/53/356664353.db2.gz BGWCCKUMEPVFPM-SSDOTTSWSA-N -1 0 294.223 1.675 50 5 CDBARM O=C([O-])CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000238856138 304067076 /nfs/dbraw/zinc/06/70/76/304067076.db2.gz UXXGCAUSTWKSJP-UHFFFAOYSA-N -1 0 272.163 1.118 50 5 CDBARM COc1c(C(=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-] ZINC000616568058 358408889 /nfs/dbraw/zinc/40/88/89/358408889.db2.gz CDUXIFUXXYHOFW-UHFFFAOYSA-N -1 0 276.588 1.863 50 5 CDBARM Cc1ccsc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000030840502 375679756 /nfs/dbraw/zinc/67/97/56/375679756.db2.gz PIVANJNCMHZARN-IHWYPQMZSA-N -1 0 279.277 1.512 50 5 CDBARM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOCC2)c1 ZINC000034925736 304251065 /nfs/dbraw/zinc/25/10/65/304251065.db2.gz QCUUEEDAOFTYRA-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000004718878 170005064 /nfs/dbraw/zinc/00/50/64/170005064.db2.gz AWMOERZTSKVOHN-VOTSOKGWSA-N -1 0 273.248 1.863 50 5 CDBARM CC(=O)N[C@@H](C(=O)[O-])[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000005723109 170133288 /nfs/dbraw/zinc/13/32/88/170133288.db2.gz PXNODMWVXRPCGD-RDDDGLTNSA-N -1 0 266.253 1.288 50 5 CDBARM CC[C@H](COC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119025314 423851163 /nfs/dbraw/zinc/85/11/63/423851163.db2.gz VTZMZZVGJNTEPR-SECBINFHSA-N -1 0 268.269 1.455 50 5 CDBARM CC(C)[C@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)[O-] ZINC000006719639 280336129 /nfs/dbraw/zinc/33/61/29/280336129.db2.gz TVVSDBQXDYCWSO-QMMMGPOBSA-N -1 0 280.240 1.652 50 5 CDBARM COc1cc2c(C)nc3c(=O)[n-][nH]c(=O)c3c2cc1OC ZINC000018155457 295029241 /nfs/dbraw/zinc/02/92/41/295029241.db2.gz FGNKGKYAOSQOJF-UHFFFAOYSA-N -1 0 287.275 1.503 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000091054652 482530577 /nfs/dbraw/zinc/53/05/77/482530577.db2.gz KREJHBVWVBPYMB-UHFFFAOYSA-N -1 0 296.308 1.736 50 5 CDBARM Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000195567265 358566278 /nfs/dbraw/zinc/56/62/78/358566278.db2.gz WQQLVHPYLUXUTK-UHFFFAOYSA-N -1 0 293.304 1.995 50 5 CDBARM CS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000039199226 377338374 /nfs/dbraw/zinc/33/83/74/377338374.db2.gz MFZMFGOOVBJJKY-UHFFFAOYSA-N -1 0 279.657 1.350 50 5 CDBARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000011919894 393046532 /nfs/dbraw/zinc/04/65/32/393046532.db2.gz MGZNHWUKOICZHV-QWRGUYRKSA-N -1 0 288.263 1.006 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccsc2)[nH]1 ZINC000004727566 170007154 /nfs/dbraw/zinc/00/71/54/170007154.db2.gz DMNNYALXRUIKLT-OWOJBTEDSA-N -1 0 265.250 1.616 50 5 CDBARM C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517565 356374523 /nfs/dbraw/zinc/37/45/23/356374523.db2.gz KKHLKORVTUUSBC-YFKPBYRVSA-N -1 0 255.186 1.388 50 5 CDBARM O=C([O-])CSc1ccc2nonc2c1[N+](=O)[O-] ZINC000004570528 356417918 /nfs/dbraw/zinc/41/79/18/356417918.db2.gz NTCLGEKUBRYEQZ-UHFFFAOYSA-N -1 0 255.211 1.308 50 5 CDBARM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000000068337 358096265 /nfs/dbraw/zinc/09/62/65/358096265.db2.gz QFEDDNGWUIKTEP-UHFFFAOYSA-N -1 0 283.265 1.692 50 5 CDBARM COc1cc(N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000014007588 358835974 /nfs/dbraw/zinc/83/59/74/358835974.db2.gz VBGWZNJXSVMSCH-UHFFFAOYSA-N -1 0 280.280 1.904 50 5 CDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nccs1 ZINC000000372363 359630434 /nfs/dbraw/zinc/63/04/34/359630434.db2.gz NPGICNOVMMVHGL-UHFFFAOYSA-N -1 0 285.306 1.274 50 5 CDBARM CS(=O)(=O)[N-]c1ccc(Br)cc1[N+](=O)[O-] ZINC000081570681 374521244 /nfs/dbraw/zinc/52/12/44/374521244.db2.gz QIWORFNZDQMCIA-UHFFFAOYSA-N -1 0 295.114 1.729 50 5 CDBARM O=C([O-])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000015443212 304184375 /nfs/dbraw/zinc/18/43/75/304184375.db2.gz ZJSIMOSUXMPINC-VIFPVBQESA-N -1 0 250.254 1.896 50 5 CDBARM Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1[N+](=O)[O-] ZINC000020073923 374842245 /nfs/dbraw/zinc/84/22/45/374842245.db2.gz BWVNLLKSGWQMLH-QMMMGPOBSA-N -1 0 266.253 1.415 50 5 CDBARM O=C([O-])/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002740627 375309600 /nfs/dbraw/zinc/30/96/00/375309600.db2.gz TUPOUSSKZNAZQW-ONEGZZNKSA-N -1 0 254.173 1.313 50 5 CDBARM Cn1cnnc1Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003223819 375592120 /nfs/dbraw/zinc/59/21/20/375592120.db2.gz TVPOZQAJUXDKOU-UHFFFAOYSA-N -1 0 280.265 1.573 50 5 CDBARM O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)S(=O)(=O)[O-] ZINC000001869014 376361285 /nfs/dbraw/zinc/36/12/85/376361285.db2.gz GNDZQZFYCOCREF-JTQLQIEISA-N -1 0 270.266 1.374 50 5 CDBARM O=C([O-])COc1ccc(Br)cc1[N+](=O)[O-] ZINC000026509955 171489867 /nfs/dbraw/zinc/48/98/67/171489867.db2.gz PNFGYDNFHHYLCK-UHFFFAOYSA-N -1 0 276.042 1.821 50 5 CDBARM O=C([O-])C(=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000001705011 304024281 /nfs/dbraw/zinc/02/42/81/304024281.db2.gz GMHILUUZMBKBJE-UHFFFAOYSA-N -1 0 288.053 1.554 50 5 CDBARM O=C([O-])C1CN(c2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004105127 304042964 /nfs/dbraw/zinc/04/29/64/304042964.db2.gz KEPVGINXQPHWQC-UHFFFAOYSA-N -1 0 257.633 1.164 50 5 CDBARM Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000028630499 356723455 /nfs/dbraw/zinc/72/34/55/356723455.db2.gz PODAGFGZRFSTMR-PLNGDYQASA-N -1 0 279.277 1.924 50 5 CDBARM CCOC(=O)C(O)=CC(=O)c1cc(C)cc([N+](=O)[O-])c1[O-] ZINC000100008589 359197566 /nfs/dbraw/zinc/19/75/66/359197566.db2.gz CTRVSQSUFVRCOP-UHFFFAOYSA-N -1 0 295.247 1.314 50 5 CDBARM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n(C)n1 ZINC000089541111 360377069 /nfs/dbraw/zinc/37/70/69/360377069.db2.gz BDIKTRWZDAPNKX-UHFFFAOYSA-N -1 0 276.252 1.595 50 5 CDBARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000012505759 304098065 /nfs/dbraw/zinc/09/80/65/304098065.db2.gz OYTOPXTXZVALGC-ZCFIWIBFSA-N -1 0 268.200 1.171 50 5 CDBARM O=C([O-])[C@@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1 ZINC000012505682 304136485 /nfs/dbraw/zinc/13/64/85/304136485.db2.gz RYTMVTXXMSRLGT-LURJTMIESA-N -1 0 257.629 1.884 50 5 CDBARM O=C(NC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279731319 374953272 /nfs/dbraw/zinc/95/32/72/374953272.db2.gz JIBHPVYRZOPRNO-QMMMGPOBSA-N -1 0 282.321 1.783 50 5 CDBARM Cc1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000095408848 374911403 /nfs/dbraw/zinc/91/14/03/374911403.db2.gz AOBLBKLTBDIUIO-UHFFFAOYSA-N -1 0 277.284 1.359 50 5 CDBARM O=C([O-])c1cccn2c(=O)c3cc(F)ccc3nc12 ZINC000035462740 304272199 /nfs/dbraw/zinc/27/21/99/304272199.db2.gz BULKJGITZGHSFQ-UHFFFAOYSA-N -1 0 258.208 1.685 50 5 CDBARM O=C([O-])[C@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000000077917 358247669 /nfs/dbraw/zinc/24/76/69/358247669.db2.gz SALHXESGFYVCIK-BDAKNGLRSA-N -1 0 254.267 1.383 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000116946 359098786 /nfs/dbraw/zinc/09/87/86/359098786.db2.gz CHSAAUUVOROZET-UHFFFAOYSA-N -1 0 280.265 1.186 50 5 CDBARM CC(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000000243164 359391791 /nfs/dbraw/zinc/39/17/91/359391791.db2.gz PABMJKZMUOMZOR-UXBLZVDNSA-N -1 0 250.210 1.156 50 5 biogenic CDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000013948145 390635583 /nfs/dbraw/zinc/63/55/83/390635583.db2.gz RMTMZLSPRPUKOS-UHFFFAOYSA-N -1 0 280.265 1.186 50 5 CDBARM CCN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC1=S ZINC000004845929 170029857 /nfs/dbraw/zinc/02/98/57/170029857.db2.gz BDWCOXVKNJGBQY-YVMONPNESA-N -1 0 293.304 1.378 50 5 CDBARM Cc1[nH]ncc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120083788 412175597 /nfs/dbraw/zinc/17/55/97/412175597.db2.gz WKAVGRZFFNXQFV-UHFFFAOYSA-N -1 0 288.310 1.489 50 5 CDBARM CN(Cc1cccn1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097237104 323207904 /nfs/dbraw/zinc/20/79/04/323207904.db2.gz YCCAUHBTEUHTQS-UHFFFAOYSA-N -1 0 289.291 1.911 50 5 CDBARM CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1[N+](=O)[O-] ZINC000101174389 358841715 /nfs/dbraw/zinc/84/17/15/358841715.db2.gz ISECNKUEXSBEIK-NSHDSACASA-N -1 0 279.248 1.546 50 5 CDBARM O=C([O-])CN(c1c(F)c(F)ccc1[N+](=O)[O-])C1CC1 ZINC000053162391 360874789 /nfs/dbraw/zinc/87/47/89/360874789.db2.gz BFOOBNLCIFXIPY-UHFFFAOYSA-N -1 0 272.207 1.926 50 5 CDBARM CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000057294251 375412066 /nfs/dbraw/zinc/41/20/66/375412066.db2.gz NCWBWASSYHQIKR-UHFFFAOYSA-N -1 0 275.058 1.423 50 5 CDBARM O=C([O-])[C@H]1CS[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000000099234 169535502 /nfs/dbraw/zinc/53/55/02/169535502.db2.gz WNEKIYRMXWCTGY-CLZZGJSISA-N -1 0 260.296 1.445 50 5 CDBARM COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1[O-] ZINC000004838234 170027105 /nfs/dbraw/zinc/02/71/05/170027105.db2.gz BPBMXUKMXJKJNY-AOOOYVTPSA-N -1 0 296.323 1.918 50 5 CDBARM COCCOc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC ZINC000008390415 170334401 /nfs/dbraw/zinc/33/44/01/170334401.db2.gz IVXTUVDBRCQWGF-UHFFFAOYSA-N -1 0 271.225 1.327 50 5 CDBARM COc1ccc(NC(=O)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000011947379 170460744 /nfs/dbraw/zinc/46/07/44/170460744.db2.gz URSZQYOPWBASIQ-UHFFFAOYSA-N -1 0 268.225 1.407 50 5 CDBARM C[C@@H](O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000031362116 171636497 /nfs/dbraw/zinc/63/64/97/171636497.db2.gz QJMPRIHAPGGFMA-MUWHJKNJSA-N -1 0 272.282 1.026 50 5 CDBARM CCOCCC1=Nc2cccc([N+](=O)[O-])c2S(=O)(=O)[N-]1 ZINC000585138788 931031745 /nfs/dbraw/zinc/03/17/45/931031745.db2.gz YEANYDUIIGMHIH-UHFFFAOYSA-N -1 0 299.308 1.343 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c1[N+](=O)[O-] ZINC000002525026 362057537 /nfs/dbraw/zinc/05/75/37/362057537.db2.gz IDXQNVNKGCTBKD-UHFFFAOYSA-N -1 0 262.199 1.058 50 5 CDBARM CCOc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071404325 176155115 /nfs/dbraw/zinc/15/51/15/176155115.db2.gz SFSGNFIOEBYBPK-UHFFFAOYSA-N -1 0 256.170 1.600 50 5 CDBARM O=C1NC(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)S1 ZINC000034911197 304656272 /nfs/dbraw/zinc/65/62/72/304656272.db2.gz CNQAUUWTCOSDSC-XBXARRHUSA-N -1 0 266.234 1.624 50 5 CDBARM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCOCC1 ZINC000119225029 357341946 /nfs/dbraw/zinc/34/19/46/357341946.db2.gz UJBQCBNNZYBYRB-VIFPVBQESA-N -1 0 294.307 1.845 50 5 CDBARM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000261493918 190039764 /nfs/dbraw/zinc/03/97/64/190039764.db2.gz LYEZXKQVTKSLOM-UHFFFAOYSA-N -1 0 250.254 1.927 50 5 CDBARM O=C([O-])Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514277334 342146178 /nfs/dbraw/zinc/14/61/78/342146178.db2.gz KLDHMMOSIHSAIM-UHFFFAOYSA-N -1 0 250.132 1.636 50 5 CDBARM COC(=O)C(=C(C)[O-])C(=O)c1ccccc1[N+](=O)[O-] ZINC000100399710 358828639 /nfs/dbraw/zinc/82/86/39/358828639.db2.gz RWVBRHFWPGNIHG-SNVBAGLBSA-N -1 0 265.221 1.156 50 5 CDBARM O=C([O-])c1ccc([N+](=O)[O-])cc1I ZINC000005427620 304251174 /nfs/dbraw/zinc/25/11/74/304251174.db2.gz SQICTGFCQITYDT-UHFFFAOYSA-N -1 0 293.016 1.898 50 5 CDBARM Cc1ccn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000006925287 170255797 /nfs/dbraw/zinc/25/57/97/170255797.db2.gz HJOWUCMJJJRELK-UHFFFAOYSA-N -1 0 290.279 1.834 50 5 CDBARM COc1cc([N+](=O)[O-])c(/C=C/C(=O)[O-])c(OC)c1OC ZINC000085392059 179048432 /nfs/dbraw/zinc/04/84/32/179048432.db2.gz UPPPPZSVVMSHPJ-SNAWJCMRSA-N -1 0 283.236 1.718 50 5 CDBARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000012021481 304179364 /nfs/dbraw/zinc/17/93/64/304179364.db2.gz IVIIFDNIJAIELF-LLVKDONJSA-N -1 0 278.264 1.674 50 5 CDBARM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOC3)no2)cc1[O-] ZINC000097102711 397965880 /nfs/dbraw/zinc/96/58/80/397965880.db2.gz YGZJPNKKXRCOQK-QMMMGPOBSA-N -1 0 277.236 1.854 50 5 CDBARM COc1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000164802340 363513571 /nfs/dbraw/zinc/51/35/71/363513571.db2.gz PVEHFFINWSOWAG-SFYZADRCSA-N -1 0 296.279 1.442 50 5 CDBARM CC(=O)N1[C@@H](c2ccccc2[N+](=O)[O-])SC[C@@H]1C(=O)[O-] ZINC000000998109 278075375 /nfs/dbraw/zinc/07/53/75/278075375.db2.gz REBNNJYJJRIBGJ-GHMZBOCLSA-N -1 0 296.304 1.642 50 5 CDBARM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCOCC1 ZINC000119225117 186811825 /nfs/dbraw/zinc/81/18/25/186811825.db2.gz UJBQCBNNZYBYRB-SECBINFHSA-N -1 0 294.307 1.845 50 5 CDBARM CC(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000003186839 359234587 /nfs/dbraw/zinc/23/45/87/359234587.db2.gz PNFZRSLSTKUNAW-UHFFFAOYSA-N -1 0 255.251 1.974 50 5 CDBARM O=C([O-])[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000015443063 304111049 /nfs/dbraw/zinc/11/10/49/304111049.db2.gz GEEPPMTYMYSFIS-MRVPVSSYSA-N -1 0 251.242 1.291 50 5 CDBARM COc1cc(CO)c([N+](=O)[O-])cc1OCCCC(=O)[O-] ZINC000002387357 374239112 /nfs/dbraw/zinc/23/91/12/374239112.db2.gz MYBBGZZXDFIZGU-UHFFFAOYSA-N -1 0 285.252 1.339 50 5 CDBARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000011919896 390917680 /nfs/dbraw/zinc/91/76/80/390917680.db2.gz FZZIZIKYNJDVFZ-WDEREUQCSA-N -1 0 288.263 1.006 50 5 biogenic CDBARM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)c1 ZINC000004980971 170048732 /nfs/dbraw/zinc/04/87/32/170048732.db2.gz IMMBVUJHFXAKEP-UHFFFAOYSA-N -1 0 292.207 1.446 50 5 CDBARM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000015443276 297078493 /nfs/dbraw/zinc/07/84/93/297078493.db2.gz MTYJFJLVTITZPT-RKDXNWHRSA-N -1 0 280.280 1.907 50 5 CDBARM O=c1cc([O-])c2c(=O)n3c4c(cccc4c2o1)CC3 ZINC000000344357 304817788 /nfs/dbraw/zinc/81/77/88/304817788.db2.gz FVXHRAYAKDGQNB-UHFFFAOYSA-N -1 0 255.229 1.370 50 5 CDBARM O=C1Nc2cc([N+](=O)[O-])ccc2O[C@]1([O-])C(F)(F)F ZINC000002492376 518202546 /nfs/dbraw/zinc/20/25/46/518202546.db2.gz CATUPQKMCLYNGQ-QMMMGPOBSA-N -1 0 278.142 1.177 50 5 CDBARM COc1cc(C=C2SC(=O)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000015011974 361918887 /nfs/dbraw/zinc/91/88/87/361918887.db2.gz NUKUFIYNEFXNIP-XBXARRHUSA-N -1 0 296.260 1.633 50 5 CDBARM COCOc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC ZINC000087888276 362155265 /nfs/dbraw/zinc/15/52/65/362155265.db2.gz CDQYOTWCSKZVGI-UHFFFAOYSA-N -1 0 257.198 1.284 50 5 CDBARM CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000000475278 363322376 /nfs/dbraw/zinc/32/23/76/363322376.db2.gz LUYKSVCFVADRSP-UHFFFAOYSA-N -1 0 260.271 1.365 50 5 CDBARM CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc([N+](=O)[O-])cnc21 ZINC000000339416 359519889 /nfs/dbraw/zinc/51/98/89/359519889.db2.gz AFEWFYULTUBETR-UHFFFAOYSA-N -1 0 278.268 1.039 50 5 CDBARM O=C([O-])CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002166927 367686456 /nfs/dbraw/zinc/68/64/56/367686456.db2.gz QJUKPUCOWZIKDA-UHFFFAOYSA-N -1 0 280.280 1.970 50 5 CDBARM O=C([O-])COc1ccc([N+](=O)[O-])cc1-c1ccno1 ZINC000025758146 375677283 /nfs/dbraw/zinc/67/72/83/375677283.db2.gz SLDQASAMTFSQEE-UHFFFAOYSA-N -1 0 264.193 1.713 50 5 CDBARM CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000004218999 375926463 /nfs/dbraw/zinc/92/64/63/375926463.db2.gz YSOQJVVFOIIKBC-LURJTMIESA-N -1 0 288.281 1.124 50 5 CDBARM O=C([O-])CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000005179911 170074172 /nfs/dbraw/zinc/07/41/72/170074172.db2.gz NNDJJGLAXWVCTP-UHFFFAOYSA-N -1 0 270.216 1.927 50 5 CDBARM CCOC(=O)CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000035287369 172105244 /nfs/dbraw/zinc/10/52/44/172105244.db2.gz HSWVJLUGKAOGSC-UHFFFAOYSA-N -1 0 282.252 1.658 50 5 CDBARM COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)[O-])c1 ZINC000063110851 362937181 /nfs/dbraw/zinc/93/71/81/362937181.db2.gz BFJUWLJOOCIGLJ-ZCFIWIBFSA-N -1 0 268.225 1.266 50 5 CDBARM CS(=O)(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000001475602 355938263 /nfs/dbraw/zinc/93/82/63/355938263.db2.gz MILCDFHAJJDOKY-UHFFFAOYSA-N -1 0 291.306 1.175 50 5 CDBARM C[C@H](O)CCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119121506 357287827 /nfs/dbraw/zinc/28/78/27/357287827.db2.gz BBSMEOMKDASPEK-QMMMGPOBSA-N -1 0 268.269 1.143 50 5 CDBARM O=C([O-])[C@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000000077920 358251457 /nfs/dbraw/zinc/25/14/57/358251457.db2.gz SALHXESGFYVCIK-RKDXNWHRSA-N -1 0 254.267 1.383 50 5 CDBARM O=C([O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000001705018 304088782 /nfs/dbraw/zinc/08/87/82/304088782.db2.gz LBZPHZBNFDOCCR-UHFFFAOYSA-N -1 0 260.043 1.984 50 5 CDBARM Cc1cc(C)c(NC(=O)/C=C/C(=O)[O-])c([N+](=O)[O-])c1 ZINC000017467431 364067244 /nfs/dbraw/zinc/06/72/44/364067244.db2.gz AIGOSUULOHPKMF-ONEGZZNKSA-N -1 0 264.237 1.791 50 5 CDBARM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)[O-] ZINC000019891401 374822430 /nfs/dbraw/zinc/82/24/30/374822430.db2.gz GBMSFEIGMSQXPZ-UHFFFAOYSA-N -1 0 252.226 1.707 50 5 CDBARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004012150 304284055 /nfs/dbraw/zinc/28/40/55/304284055.db2.gz BAHZKFYRFQTWIV-UHFFFAOYSA-N -1 0 288.219 1.335 50 5 CDBARM CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2c(=O)[n-]1 ZINC000169105498 392596257 /nfs/dbraw/zinc/59/62/57/392596257.db2.gz LKNRHKFKTSMVPE-UHFFFAOYSA-N -1 0 263.209 1.008 50 5 CDBARM C[C@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)[O-] ZINC000006669516 170224486 /nfs/dbraw/zinc/22/44/86/170224486.db2.gz XBRNQZUAKJMNAW-BYPYZUCNSA-N -1 0 252.186 1.016 50 5 CDBARM Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cn2)cc1 ZINC000004558441 356407984 /nfs/dbraw/zinc/40/79/84/356407984.db2.gz HUUWGFYTPQCOGD-UHFFFAOYSA-N -1 0 294.292 1.373 50 5 CDBARM O=C([O-])C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001140322 304087659 /nfs/dbraw/zinc/08/76/59/304087659.db2.gz YRJUVGJXBGUUER-IBGZPJMESA-N -1 0 297.210 1.806 50 5 CDBARM Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c(O)c1 ZINC000241383268 369071083 /nfs/dbraw/zinc/07/10/83/369071083.db2.gz MTUSCKKAHFEZLS-UHFFFAOYSA-N -1 0 288.263 1.838 50 5 CDBARM COc1cc(CN2CCC[C@@H](O)C2)cc([N+](=O)[O-])c1[O-] ZINC000016310450 370098102 /nfs/dbraw/zinc/09/81/02/370098102.db2.gz ZZCQBVDHHFPMKV-SNVBAGLBSA-N -1 0 282.296 1.266 50 5 CDBARM Cc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000013170417 374659739 /nfs/dbraw/zinc/65/97/39/374659739.db2.gz YXPJDHLGMOJNAX-SNVBAGLBSA-N -1 0 292.291 1.840 50 5 CDBARM CC[NH+]1CCN(Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)CC1 ZINC000019536977 374747877 /nfs/dbraw/zinc/74/78/77/374747877.db2.gz DNQGUMCBKFDZHK-UHFFFAOYSA-N -1 0 295.339 1.447 50 5 CDBARM COc1nc([N-]c2ccccc2[N+](=O)[O-])nc(OC)n1 ZINC000008132966 170320359 /nfs/dbraw/zinc/32/03/59/170320359.db2.gz XTICTMRRDFLWTA-UHFFFAOYSA-N -1 0 277.240 1.541 50 5 CDBARM COCCCNc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000037328750 173129203 /nfs/dbraw/zinc/12/92/03/173129203.db2.gz OIUGRLCSJRHJOZ-UHFFFAOYSA-N -1 0 254.242 1.741 50 5 CDBARM O=c1nc2[nH]ccc(-c3ccc([N+](=O)[O-])cc3)c-2c(=O)[n-]1 ZINC000009419849 304813785 /nfs/dbraw/zinc/81/37/85/304813785.db2.gz QHHQVPAPEVWSDD-UHFFFAOYSA-N -1 0 284.231 1.187 50 5 CDBARM Cc1onc(C(=O)[O-])c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000012357828 518194542 /nfs/dbraw/zinc/19/45/42/518194542.db2.gz VIYVMRNVXGPMJV-UHFFFAOYSA-N -1 0 286.631 1.488 50 5 CDBARM O=[N+]([O-])c1ccc([O-])c(I)c1 ZINC000001726237 355949540 /nfs/dbraw/zinc/94/95/40/355949540.db2.gz BKQFOYCEUMVWOW-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM O=C(NCCc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097109274 357984951 /nfs/dbraw/zinc/98/49/51/357984951.db2.gz PZANDBAEDMYJFA-UHFFFAOYSA-N -1 0 275.264 1.601 50 5 CDBARM O=C([O-])Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033354022 304087987 /nfs/dbraw/zinc/08/79/87/304087987.db2.gz NECAHMOLCOTMNH-UHFFFAOYSA-N -1 0 271.141 1.038 50 5 CDBARM O=C(Cn1cc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035939883 360314355 /nfs/dbraw/zinc/31/43/55/360314355.db2.gz CFKJVGRBROAHPG-UHFFFAOYSA-N -1 0 296.670 1.789 50 5 CDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOC[C@@H]1C1CC1 ZINC000089975016 366991915 /nfs/dbraw/zinc/99/19/15/366991915.db2.gz DHOCIPSINACROL-GFCCVEGCSA-N -1 0 292.291 1.551 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000198656 375281673 /nfs/dbraw/zinc/28/16/73/375281673.db2.gz CIASIHHEOGXVOM-UHFFFAOYSA-N -1 0 285.306 1.852 50 5 in-man CDBARM O=C([O-])CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003153952 375562813 /nfs/dbraw/zinc/56/28/13/375562813.db2.gz QIMSXEQJVQJYSC-UHFFFAOYSA-N -1 0 297.223 1.098 50 5 CDBARM CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000096055647 285977568 /nfs/dbraw/zinc/97/75/68/285977568.db2.gz YCORTVKYQADVAR-UHFFFAOYSA-N -1 0 277.236 1.663 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)O1 ZINC000035571841 278803549 /nfs/dbraw/zinc/80/35/49/278803549.db2.gz VGOLNVZXOIJBKT-RKDXNWHRSA-N -1 0 252.270 1.914 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000015443604 297079720 /nfs/dbraw/zinc/07/97/20/297079720.db2.gz VWTUGTCIUKZKLA-DTORHVGOSA-N -1 0 280.280 1.907 50 5 CDBARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004151754 303653465 /nfs/dbraw/zinc/65/34/65/303653465.db2.gz SYLMFFPTCCRYRW-MRVPVSSYSA-N -1 0 295.276 1.275 50 5 CDBARM O=C([O-])c1c(Cl)c([N+](=O)[O-])ccc1N1CCOCC1 ZINC000536953921 342146192 /nfs/dbraw/zinc/14/61/92/342146192.db2.gz LTZBINQKEDJHNT-UHFFFAOYSA-N -1 0 286.671 1.783 50 5 CDBARM CCOC(=O)c1c[n-]c2c(cccc2[N+](=O)[O-])c1=O ZINC000100469455 358830730 /nfs/dbraw/zinc/83/07/30/358830730.db2.gz BBZKFRDLBJHFMD-MRVPVSSYSA-N -1 0 262.221 1.673 50 5 CDBARM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000188521 359262887 /nfs/dbraw/zinc/26/28/87/359262887.db2.gz WULKBRCOTMQQIY-UHFFFAOYSA-N -1 0 290.235 1.279 50 5 CDBARM O=C([O-])[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000026897184 304115010 /nfs/dbraw/zinc/11/50/10/304115010.db2.gz NORVPJAWZNMMMZ-VIFPVBQESA-N -1 0 254.217 1.787 50 5 CDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOC[C@H]1C1CC1 ZINC000089975017 366991842 /nfs/dbraw/zinc/99/18/42/366991842.db2.gz DHOCIPSINACROL-LBPRGKRZSA-N -1 0 292.291 1.551 50 5 CDBARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031800777 375831559 /nfs/dbraw/zinc/83/15/59/375831559.db2.gz FBZOUXLEZLYVKG-ARJAWSKDSA-N -1 0 270.628 1.828 50 5 CDBARM CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1[N+](=O)[O-] ZINC000101174385 390455198 /nfs/dbraw/zinc/45/51/98/390455198.db2.gz ISECNKUEXSBEIK-LLVKDONJSA-N -1 0 279.248 1.546 50 5 CDBARM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000004662698 326811993 /nfs/dbraw/zinc/81/19/93/326811993.db2.gz VYRJFOJDWGZTEW-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM O=C([O-])CSc1nc2sccn2c1[N+](=O)[O-] ZINC000002508406 304073321 /nfs/dbraw/zinc/07/33/21/304073321.db2.gz QSZAKNCBDCGECQ-UHFFFAOYSA-N -1 0 259.268 1.481 50 5 CDBARM O=C([O-])[C@@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000000077923 358246919 /nfs/dbraw/zinc/24/69/19/358246919.db2.gz SALHXESGFYVCIK-DTWKUNHWSA-N -1 0 254.267 1.383 50 5 CDBARM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000096538 358706422 /nfs/dbraw/zinc/70/64/22/358706422.db2.gz VGCFUWXBUDSUAA-UHFFFAOYSA-N -1 0 290.235 1.279 50 5 CDBARM Cc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000030840519 375679774 /nfs/dbraw/zinc/67/97/74/375679774.db2.gz QQAIMOQCZAPEJO-SREVYHEPSA-N -1 0 273.248 1.450 50 5 CDBARM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000004147885 375894865 /nfs/dbraw/zinc/89/48/65/375894865.db2.gz SLFJERQTZZHWGR-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])C(=O)[O-] ZINC000006669680 170224483 /nfs/dbraw/zinc/22/44/83/170224483.db2.gz XXIHRXYVCWDWGJ-BYPYZUCNSA-N -1 0 268.254 1.485 50 5 CDBARM COc1cc(/C=C/C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000000153558 326789840 /nfs/dbraw/zinc/78/98/40/326789840.db2.gz BZIRMMAJZSOLEW-ONEGZZNKSA-N -1 0 253.210 1.710 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12 ZINC000012480594 304151523 /nfs/dbraw/zinc/15/15/23/304151523.db2.gz ZCYAUKIMNJXVPW-PWSUYJOCSA-N -1 0 278.264 1.057 50 5 CDBARM CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000095287807 374878004 /nfs/dbraw/zinc/87/80/04/374878004.db2.gz LCBICZIJFVXJMP-JTQLQIEISA-N -1 0 290.283 1.379 50 5 CDBARM Cn1ccsc1=NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000754629545 576906012 /nfs/dbraw/zinc/90/60/12/576906012.db2.gz JTAJLVUWYHGLNH-UHFFFAOYSA-N -1 0 279.277 1.442 50 5 CDBARM NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])c2ccccc21 ZINC000004007307 682572605 /nfs/dbraw/zinc/57/26/05/682572605.db2.gz YYXAEXKRRLMXDV-UHFFFAOYSA-N -1 0 268.250 1.101 50 5 CDBARM Nc1nc(=O)c2cnc3ccc(C(=O)[O-])cc3c2s1 ZINC000026507634 356694672 /nfs/dbraw/zinc/69/46/72/356694672.db2.gz LRVVUJABEIUURD-UHFFFAOYSA-N -1 0 273.273 1.485 50 5 CDBARM O=C([O-])[C@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000000077895 358253665 /nfs/dbraw/zinc/25/36/65/358253665.db2.gz WHEHQPOUIXMETN-RKDXNWHRSA-N -1 0 254.267 1.383 50 5 CDBARM O=C([O-])CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000267562 359413147 /nfs/dbraw/zinc/41/31/47/359413147.db2.gz DVNZSMVITJTPOD-UHFFFAOYSA-N -1 0 278.220 1.056 50 5 CDBARM O=C([O-])C1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000238080574 360722720 /nfs/dbraw/zinc/72/27/20/360722720.db2.gz QYPZWRFDONCGEP-UHFFFAOYSA-N -1 0 278.264 1.261 50 5 CDBARM COCCCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276960 374662385 /nfs/dbraw/zinc/66/23/85/374662385.db2.gz SWVHFPNUWMJOIX-UHFFFAOYSA-N -1 0 254.242 1.741 50 5 CDBARM O=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059142932 304217771 /nfs/dbraw/zinc/21/77/71/304217771.db2.gz KAQBNBSMMVTKRN-UHFFFAOYSA-N -1 0 257.114 1.109 50 5 CDBARM COC(=O)c1[n-]nc2c1c([N+](=O)[O-])ccc2OC ZINC000096023985 292035827 /nfs/dbraw/zinc/03/58/27/292035827.db2.gz QYTSWBUMZLQDHF-UHFFFAOYSA-N -1 0 251.198 1.266 50 5 CDBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC000004732890 170007875 /nfs/dbraw/zinc/00/78/75/170007875.db2.gz FWBORXZAOFCPDE-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000009579608 170381567 /nfs/dbraw/zinc/38/15/67/170381567.db2.gz WSAFMMNHUKTIFQ-UHFFFAOYSA-N -1 0 263.152 1.903 50 5 CDBARM O=C([O-])c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000037430540 173201420 /nfs/dbraw/zinc/20/14/20/173201420.db2.gz NBUYZAVUGQPNKS-UHFFFAOYSA-N -1 0 290.235 1.128 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC000015443255 297080073 /nfs/dbraw/zinc/08/00/73/297080073.db2.gz UIPNFRABNZPIBW-DTORHVGOSA-N -1 0 280.280 1.907 50 5 CDBARM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003883359 304042005 /nfs/dbraw/zinc/04/20/05/304042005.db2.gz ZIRBMAVPCZUDTF-UHFFFAOYSA-N -1 0 250.254 1.896 50 5 CDBARM Cc1c[nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000095429554 357440548 /nfs/dbraw/zinc/44/05/48/357440548.db2.gz XSONIJJWDYEIPP-UHFFFAOYSA-N -1 0 262.225 1.006 50 5 CDBARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000037410300 304186702 /nfs/dbraw/zinc/18/67/02/304186702.db2.gz RRVREONUNCADCG-ZCFIWIBFSA-N -1 0 270.266 1.346 50 5 CDBARM O=Cc1cc(OCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000002585707 375260382 /nfs/dbraw/zinc/26/03/82/375260382.db2.gz OQKITJICGXCHGS-UHFFFAOYSA-N -1 0 253.210 1.651 50 5 CDBARM C[C@@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)O1 ZINC000092558787 296288165 /nfs/dbraw/zinc/28/81/65/296288165.db2.gz MLTFWOQTGGOMJW-RKDXNWHRSA-N -1 0 294.307 1.986 50 5 CDBARM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000003883707 134644889 /nfs/dbraw/zinc/64/48/89/134644889.db2.gz RKRUADFRDLUFHR-UHFFFAOYSA-N -1 0 251.242 1.291 50 5 CDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000004706281 170002372 /nfs/dbraw/zinc/00/23/72/170002372.db2.gz WBSZDHRDZPKWND-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM COc1cc(C=O)c(Br)c([N+](=O)[O-])c1[O-] ZINC000002771050 294975400 /nfs/dbraw/zinc/97/54/00/294975400.db2.gz WVOJRXBSBJWHPH-UHFFFAOYSA-N -1 0 276.042 1.884 50 5 CDBARM COC(=O)C(=C(C)[O-])C(=O)c1ccccc1[N+](=O)[O-] ZINC000100399709 358828600 /nfs/dbraw/zinc/82/86/00/358828600.db2.gz RWVBRHFWPGNIHG-JTQLQIEISA-N -1 0 265.221 1.156 50 5 CDBARM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000003884755 304184068 /nfs/dbraw/zinc/18/40/68/304184068.db2.gz WGMPZJMJSBSASH-QMMMGPOBSA-N -1 0 295.251 1.804 50 5 CDBARM O=C([O-])CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002765636 375316196 /nfs/dbraw/zinc/31/61/96/375316196.db2.gz VTORFDDFPJDQBJ-UHFFFAOYSA-N -1 0 252.226 1.189 50 5 CDBARM O=C([O-])c1nn(COc2ccccc2)cc1[N+](=O)[O-] ZINC000002535987 304285036 /nfs/dbraw/zinc/28/50/36/304285036.db2.gz QVDOFIKOCKSAOS-UHFFFAOYSA-N -1 0 263.209 1.526 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccccc1F ZINC000004343020 169960058 /nfs/dbraw/zinc/96/00/58/169960058.db2.gz JQTHDUMZAXFZRD-UHFFFAOYSA-N -1 0 265.200 1.677 50 5 CDBARM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)s1 ZINC000020312325 171144566 /nfs/dbraw/zinc/14/45/66/171144566.db2.gz XKMAISRBBHCPRY-UHFFFAOYSA-N -1 0 253.239 1.599 50 5 CDBARM COC(=O)c1ccc(Br)c([O-])c1[N+](=O)[O-] ZINC000115947552 482915446 /nfs/dbraw/zinc/91/54/46/482915446.db2.gz MBVPHHISIZCBPU-UHFFFAOYSA-N -1 0 276.042 1.850 50 5 CDBARM CCOC(=O)CSc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000000258319 359405098 /nfs/dbraw/zinc/40/50/98/359405098.db2.gz JFFSVJCOFFOCKB-UHFFFAOYSA-N -1 0 285.277 1.948 50 5 CDBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12 ZINC000034781432 304151590 /nfs/dbraw/zinc/15/15/90/304151590.db2.gz ZCYAUKIMNJXVPW-ZYHUDNBSSA-N -1 0 278.264 1.057 50 5 CDBARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000001739574 373088670 /nfs/dbraw/zinc/08/86/70/373088670.db2.gz DCGVUJHKAFCGLU-UHFFFAOYSA-N -1 0 252.226 1.707 50 5 CDBARM O=C([O-])CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000241013 169584171 /nfs/dbraw/zinc/58/41/71/169584171.db2.gz IXBWSNDGYRTQSF-UHFFFAOYSA-N -1 0 278.220 1.056 50 5 CDBARM O=c1cnnc(SCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000018096086 170742117 /nfs/dbraw/zinc/74/21/17/170742117.db2.gz GXXZWRCPHLTVCX-UHFFFAOYSA-N -1 0 264.266 1.778 50 5 CDBARM Cc1cc([N+](=O)[O-])c(N[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000003884563 301425075 /nfs/dbraw/zinc/42/50/75/301425075.db2.gz DVLHHRWRGJGLKJ-ZCFIWIBFSA-N -1 0 269.213 1.696 50 5 CDBARM C[C@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000092558784 365764187 /nfs/dbraw/zinc/76/41/87/365764187.db2.gz MLTFWOQTGGOMJW-IUCAKERBSA-N -1 0 294.307 1.986 50 5 CDBARM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000015443264 304110516 /nfs/dbraw/zinc/11/05/16/304110516.db2.gz VEAIWASLIKZFDF-SECBINFHSA-N -1 0 250.254 1.896 50 5 CDBARM O=C([O-])c1cc(-n2ccnc2)c(F)cc1[N+](=O)[O-] ZINC000042684297 304220096 /nfs/dbraw/zinc/22/00/96/304220096.db2.gz MRXQKKIAHFIDNX-UHFFFAOYSA-N -1 0 251.173 1.618 50 5 CDBARM O=C([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](O)C1 ZINC000014988052 304265374 /nfs/dbraw/zinc/26/53/74/304265374.db2.gz BWCOOSUVLBNQHD-QMMMGPOBSA-N -1 0 266.253 1.254 50 5 CDBARM CC(C)(C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000095218054 278278452 /nfs/dbraw/zinc/27/84/52/278278452.db2.gz NAEVYVZCUKBQKR-UHFFFAOYSA-N -1 0 273.266 1.232 50 5 CDBARM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000000116175 301364653 /nfs/dbraw/zinc/36/46/53/301364653.db2.gz XHJLDAHBWWMCRZ-UHFFFAOYSA-N -1 0 283.265 1.692 50 5 in-vitro CDBARM COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000124474270 187138949 /nfs/dbraw/zinc/13/89/49/187138949.db2.gz UDCLLDJBPDFGPB-JTQLQIEISA-N -1 0 280.280 1.455 50 5 CDBARM O=C([O-])CSCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000464079 304072581 /nfs/dbraw/zinc/07/25/81/304072581.db2.gz FIDVCAVYOKVBQL-UHFFFAOYSA-N -1 0 270.266 1.351 50 5 CDBARM Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)[O-] ZINC000002536939 375195489 /nfs/dbraw/zinc/19/54/89/375195489.db2.gz BIOOMQZEIOGAFN-UHFFFAOYSA-N -1 0 261.237 1.846 50 5 CDBARM COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1[O-] ZINC000004838235 170027079 /nfs/dbraw/zinc/02/70/79/170027079.db2.gz BPBMXUKMXJKJNY-UWVGGRQHSA-N -1 0 296.323 1.918 50 5 CDBARM O=c1[nH]c(C=Cc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-] ZINC000008743271 170353556 /nfs/dbraw/zinc/35/35/56/170353556.db2.gz TUNGEXRREXLTDF-ZZXKWVIFSA-N -1 0 277.211 1.693 50 5 CDBARM CCN(CC)c1ccc2nc3c(=O)[n-]c(=O)nc-3[nH]c2c1 ZINC000009668615 170383919 /nfs/dbraw/zinc/38/39/19/170383919.db2.gz WKJWYNUYVIYXPZ-UHFFFAOYSA-N -1 0 285.307 1.418 50 5 CDBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(CO)CC1 ZINC000128319882 187363364 /nfs/dbraw/zinc/36/33/64/187363364.db2.gz PWNIIEGHYGLEFX-UHFFFAOYSA-N -1 0 280.280 1.145 50 5 CDBARM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119371900 357838185 /nfs/dbraw/zinc/83/81/85/357838185.db2.gz HYCGMXIDGBSXIK-GXFFZTMASA-N -1 0 294.307 1.988 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOC2(CCC2)C1 ZINC000119437019 358820895 /nfs/dbraw/zinc/82/08/95/358820895.db2.gz XKTPSDDMPHUDHR-UHFFFAOYSA-N -1 0 292.291 1.696 50 5 CDBARM O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000100396900 358828290 /nfs/dbraw/zinc/82/82/90/358828290.db2.gz LGUKSUMQFBALJX-AOOOYVTPSA-N -1 0 288.259 1.756 50 5 CDBARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000037410301 304113408 /nfs/dbraw/zinc/11/34/08/304113408.db2.gz RRVREONUNCADCG-LURJTMIESA-N -1 0 270.266 1.346 50 5 CDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])c(OC)c1OC ZINC000000090714 169532664 /nfs/dbraw/zinc/53/26/64/169532664.db2.gz VPVAFLFJAAPHKI-UHFFFAOYSA-N -1 0 257.198 1.319 50 5 in-vitro CDBARM CCOC(=O)CCc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000002166670 169778428 /nfs/dbraw/zinc/77/84/28/169778428.db2.gz YLIMSIWQDHNBCZ-UHFFFAOYSA-N -1 0 284.224 1.704 50 5 CDBARM COc1cc([C@@H](C)O)c([N+](=O)[O-])cc1OCCCC(=O)[O-] ZINC000002244334 169783178 /nfs/dbraw/zinc/78/31/78/169783178.db2.gz DUIJUTBRRZCWRD-MRVPVSSYSA-N -1 0 299.279 1.900 50 5 in-vitro CDBARM COc1ccc(NC(=O)c2nc[n-]c2[N+](=O)[O-])cc1 ZINC000005800075 170141685 /nfs/dbraw/zinc/14/16/85/170141685.db2.gz SRCBBOQPMILIQU-UHFFFAOYSA-N -1 0 262.225 1.579 50 5 CDBARM COc1ccc(NC(=O)/C=C\C(=O)[O-])c([N+](=O)[O-])c1 ZINC000030831098 295156821 /nfs/dbraw/zinc/15/68/21/295156821.db2.gz ZKDLZLOZDAKBIO-PLNGDYQASA-N -1 0 266.209 1.183 50 5 CDBARM Cc1cc(C)c2c(c1)n(C)c(=O)c1c([O-])cc(=O)oc21 ZINC000000344043 301213632 /nfs/dbraw/zinc/21/36/32/301213632.db2.gz VOKPCXPRAPEHHD-UHFFFAOYSA-N -1 0 271.272 1.967 50 5 CDBARM CC(=O)c1cc(C(=O)C(F)(F)F)[n-]c1[N+](=O)[O-] ZINC000642882248 936300713 /nfs/dbraw/zinc/30/07/13/936300713.db2.gz JIDNGPOWHVAMGQ-UHFFFAOYSA-N -1 0 250.132 1.871 50 5 CDBARM Cc1ocnc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097109081 357985029 /nfs/dbraw/zinc/98/50/29/357985029.db2.gz ZEICNJFXOJDPOI-UHFFFAOYSA-N -1 0 277.236 1.527 50 5 CDBARM COc1ccc(C(=O)[O-])cc1Cn1ncc([N+](=O)[O-])c1C ZINC000034925011 364144194 /nfs/dbraw/zinc/14/41/94/364144194.db2.gz ITXMWRHQYRSOEO-UHFFFAOYSA-N -1 0 291.263 1.855 50 5 CDBARM O=C(NN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000089903322 366961636 /nfs/dbraw/zinc/96/16/36/366961636.db2.gz DOEIDIDRUWIXDY-UHFFFAOYSA-N -1 0 299.286 1.961 50 5 CDBARM CCOC(=O)c1nn(-c2ccc(F)cc2[N+](=O)[O-])cc1[O-] ZINC000006758121 170241176 /nfs/dbraw/zinc/24/11/76/170241176.db2.gz PCTJFPIBQJEUQB-UHFFFAOYSA-N -1 0 295.226 1.042 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOC[C@@H]1C1CC1 ZINC000119402687 304525747 /nfs/dbraw/zinc/52/57/47/304525747.db2.gz WIMDLFXWPVBBEI-GFCCVEGCSA-N -1 0 292.291 1.551 50 5 CDBARM O=C1Nc2ccc([N+](=O)[O-])cc2O[C@]1([O-])C(F)(F)F ZINC000004693864 304689519 /nfs/dbraw/zinc/68/95/19/304689519.db2.gz YZRUAOYVUOZCDK-QMMMGPOBSA-N -1 0 278.142 1.177 50 5 CDBARM O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1[O-] ZINC000023280479 358656967 /nfs/dbraw/zinc/65/69/67/358656967.db2.gz YWVCIBCGNOKLKZ-LLVKDONJSA-N -1 0 266.297 1.505 50 5 CDBARM COC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000004014523 391696924 /nfs/dbraw/zinc/69/69/24/391696924.db2.gz YGVJGAVKLPOPMS-UHFFFAOYSA-N -1 0 276.042 1.850 50 5 CDBARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-] ZINC000000032988 397959974 /nfs/dbraw/zinc/95/99/74/397959974.db2.gz XCCZFOBFTQIDBX-SCZZXKLOSA-N -1 0 268.294 1.691 50 5 CDBARM Cc1cc([N+](=O)[O-])c(NCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004054647 301425213 /nfs/dbraw/zinc/42/52/13/301425213.db2.gz YTKCWLFDORXSBY-UHFFFAOYSA-N -1 0 269.213 1.698 50 5 CDBARM O=C([O-])c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000014982245 304217775 /nfs/dbraw/zinc/21/77/75/304217775.db2.gz AGYWRQRLPWSJLO-UHFFFAOYSA-N -1 0 291.013 1.964 50 5 CDBARM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000241371257 297282366 /nfs/dbraw/zinc/28/23/66/297282366.db2.gz MLTFWOQTGGOMJW-DOFRTFSJSA-N -1 0 294.307 1.986 50 5 CDBARM CC(C)CCn1ccc([N-]c2ncc([N+](=O)[O-])c(N)n2)n1 ZINC000096001993 185062434 /nfs/dbraw/zinc/06/24/34/185062434.db2.gz BBLRHPHUODXSAU-UHFFFAOYSA-N -1 0 291.315 1.953 50 5 CDBARM CCOC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1[N+](=O)[O-] ZINC000072267075 346684378 /nfs/dbraw/zinc/68/43/78/346684378.db2.gz PISBFMTVMRUODY-UHFFFAOYSA-N -1 0 270.197 1.314 50 5 CDBARM O=C(NC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123110875 187071654 /nfs/dbraw/zinc/07/16/54/187071654.db2.gz JEUCZPWXLROXMS-QMMMGPOBSA-N -1 0 266.253 1.067 50 5 CDBARM O=C([O-])CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001732202 373085759 /nfs/dbraw/zinc/08/57/59/373085759.db2.gz RDEPTRFZTKVALC-UHFFFAOYSA-N -1 0 258.211 1.680 50 5 in-vitro CDBARM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000015443060 374921421 /nfs/dbraw/zinc/92/14/21/374921421.db2.gz JKTHVFRONFGBAF-MRVPVSSYSA-N -1 0 251.242 1.291 50 5 CDBARM CCN(CC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000003886113 260013451 /nfs/dbraw/zinc/01/34/51/260013451.db2.gz PUXUOVTULZWEHQ-UHFFFAOYSA-N -1 0 274.298 1.331 50 5 CDBARM C[C@H]1CN(c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000035571838 290895191 /nfs/dbraw/zinc/89/51/91/290895191.db2.gz VGOLNVZXOIJBKT-IUCAKERBSA-N -1 0 252.270 1.914 50 5 CDBARM O=C([O-])[C@H]1CS[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000000099232 358656565 /nfs/dbraw/zinc/65/65/65/358656565.db2.gz WNEKIYRMXWCTGY-FBCQKBJTSA-N -1 0 260.296 1.445 50 5 CDBARM CCOC(=O)c1c[n-]c2c(cccc2[N+](=O)[O-])c1=O ZINC000100469458 358831167 /nfs/dbraw/zinc/83/11/67/358831167.db2.gz BBZKFRDLBJHFMD-QMMMGPOBSA-N -1 0 262.221 1.673 50 5 CDBARM CCCOc1ccc([N+](=O)[O-])cc1NCC(=O)[O-] ZINC000002187205 368070384 /nfs/dbraw/zinc/07/03/84/368070384.db2.gz KDLLGYRPHNEDQY-UHFFFAOYSA-N -1 0 254.242 1.880 50 5 CDBARM O=C([O-])[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000015443065 304184697 /nfs/dbraw/zinc/18/46/97/304184697.db2.gz GEEPPMTYMYSFIS-QMMMGPOBSA-N -1 0 251.242 1.291 50 5 CDBARM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOCC1 ZINC000003159159 375562358 /nfs/dbraw/zinc/56/23/58/375562358.db2.gz ATOGHCSTWGIIHG-UHFFFAOYSA-N -1 0 286.671 1.426 50 5 CDBARM O=C([O-])c1cc2c(=O)c3ccccc3[nH]c2oc1=O ZINC000009397375 304228021 /nfs/dbraw/zinc/22/80/21/304228021.db2.gz DTFBDHDLNFRHSQ-UHFFFAOYSA-N -1 0 257.201 1.333 50 5 biogenic CDBARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021508381 171308687 /nfs/dbraw/zinc/30/86/87/171308687.db2.gz XNMYLMZWZVVLTE-JTQLQIEISA-N -1 0 279.252 1.676 50 5 CDBARM O=C([O-])/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000116525 359098933 /nfs/dbraw/zinc/09/89/33/359098933.db2.gz KAXIYRLTZKRFFW-ONEGZZNKSA-N -1 0 254.173 1.313 50 5 CDBARM O=C1CCCC(=O)C1=C([O-])Cc1ccccc1[N+](=O)[O-] ZINC000100844736 374160090 /nfs/dbraw/zinc/16/00/90/374160090.db2.gz XDADBXLSGAEUOM-UHFFFAOYSA-N -1 0 275.260 1.645 50 5 CDBARM O=C([O-])c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003866530 375804621 /nfs/dbraw/zinc/80/46/21/375804621.db2.gz YJUBHURCCLOHSI-UHFFFAOYSA-N -1 0 276.208 1.268 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004660155 304227601 /nfs/dbraw/zinc/22/76/01/304227601.db2.gz DJLPDYUHXZZEHS-UHFFFAOYSA-N -1 0 281.224 1.801 50 5 CDBARM Cc1ccc2nc3c(C(=O)[O-])cccn3c(=O)c2c1 ZINC000035196775 390407506 /nfs/dbraw/zinc/40/75/06/390407506.db2.gz PULTVJUNVUPMSG-UHFFFAOYSA-N -1 0 254.245 1.854 50 5 CDBARM O=C([O-])CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000005687395 170129393 /nfs/dbraw/zinc/12/93/93/170129393.db2.gz SMTHPGGRKWIUEJ-UHFFFAOYSA-N -1 0 253.239 1.648 50 5 CDBARM Cc1ccc(C(=O)NCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000019265882 170764157 /nfs/dbraw/zinc/76/41/57/170764157.db2.gz LUEHKUCPTDICET-UHFFFAOYSA-N -1 0 266.253 1.498 50 5 CDBARM Nc1cc(SCCC(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004607852 357207676 /nfs/dbraw/zinc/20/76/76/357207676.db2.gz AYEZSELBDQMHQT-UHFFFAOYSA-N -1 0 287.253 1.652 50 5 CDBARM CCOc1cc([N+](=O)[O-])cc(C=O)c1O[C@H](C)C(=O)[O-] ZINC000004803514 341996541 /nfs/dbraw/zinc/99/65/41/341996541.db2.gz RJBBXGKMBBIBSC-SSDOTTSWSA-N -1 0 283.236 1.658 50 5 CDBARM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C)O1 ZINC000130266072 187482043 /nfs/dbraw/zinc/48/20/43/187482043.db2.gz PJUCNVRALWAPGW-RKDXNWHRSA-N -1 0 280.280 1.550 50 5 CDBARM O=[N+]([O-])c1cccc2c1cccc2S(=O)(=O)[O-] ZINC000001685530 370578043 /nfs/dbraw/zinc/57/80/43/370578043.db2.gz FTNWWQOFRQZWSC-UHFFFAOYSA-N -1 0 253.235 1.995 50 5 CDBARM CCOC(=O)c1nn(-c2cccc([N+](=O)[O-])c2C)cc1[O-] ZINC000002519713 374735479 /nfs/dbraw/zinc/73/54/79/374735479.db2.gz HJTIHHPBBIOTMR-UHFFFAOYSA-N -1 0 291.263 1.211 50 5 CDBARM O=C(Cc1ccccc1[N+](=O)[O-])N=c1[n-]nc2ccccn21 ZINC000031805007 375832521 /nfs/dbraw/zinc/83/25/21/375832521.db2.gz XSQCRWGNQAGWPB-UHFFFAOYSA-N -1 0 297.274 1.241 50 5 CDBARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])c([N+](=O)[O-])c1 ZINC000003995636 169927859 /nfs/dbraw/zinc/92/78/59/169927859.db2.gz KPULDRWQUXVEGP-SNAWJCMRSA-N -1 0 250.210 1.483 50 5 CDBARM CN1CCN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000003883227 290057420 /nfs/dbraw/zinc/05/74/20/290057420.db2.gz OELXEJIGVMEIJK-UHFFFAOYSA-N -1 0 265.269 1.045 50 5 CDBARM O=C(NN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000089902784 303817003 /nfs/dbraw/zinc/81/70/03/303817003.db2.gz SRYZABNVRCBADI-UHFFFAOYSA-N -1 0 299.286 1.961 50 5 CDBARM O=[N+]([O-])c1ccc([O-])cc1I ZINC000071791108 304804320 /nfs/dbraw/zinc/80/43/20/304804320.db2.gz FIWCMSJAIDKMNX-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM COc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000164802100 363512219 /nfs/dbraw/zinc/51/22/19/363512219.db2.gz PVEHFFINWSOWAG-HTQZYQBOSA-N -1 0 296.279 1.442 50 5 CDBARM CCOc1cc2ncc(C(=O)[O-])c(=O)n2c2ccccc12 ZINC000039344071 356972650 /nfs/dbraw/zinc/97/26/50/356972650.db2.gz ALMYTMSGXZFQPU-UHFFFAOYSA-N -1 0 284.271 1.945 50 5 CDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C)C[N+](=O)[O-] ZINC000100373883 358828767 /nfs/dbraw/zinc/82/87/67/358828767.db2.gz MLRDEESSCJSTAE-JOYOIKCWSA-N -1 0 261.281 1.938 50 5 CDBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccn1 ZINC000003122182 358991007 /nfs/dbraw/zinc/99/10/07/358991007.db2.gz GDVIEMRVYPXDDU-UHFFFAOYSA-N -1 0 279.277 1.213 50 5 CDBARM Cc1cccnc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004289705 169953320 /nfs/dbraw/zinc/95/33/20/169953320.db2.gz LCPGMVLPXNCEQP-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM O=[N+]([O-])c1cc(I)ccc1[O-] ZINC000094568720 304800979 /nfs/dbraw/zinc/80/09/79/304800979.db2.gz RHWDEIXKHGCDOG-UHFFFAOYSA-N -1 0 265.006 1.905 50 5 CDBARM O=[N+]([O-])c1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC000002163987 304804820 /nfs/dbraw/zinc/80/48/20/304804820.db2.gz ZTRNMLNZZWIBPF-UHFFFAOYSA-N -1 0 253.235 1.995 50 5 CDBARM COC(=O)c1cc([N+](=O)[O-])ccc1-n1cccc1C(=O)[O-] ZINC000067172772 374396363 /nfs/dbraw/zinc/39/63/63/374396363.db2.gz PELANXYGRWFXIL-UHFFFAOYSA-N -1 0 290.231 1.870 50 5 CDBARM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000019979726 374833067 /nfs/dbraw/zinc/83/30/67/374833067.db2.gz POEMRFUPSCRXHF-SECBINFHSA-N -1 0 293.279 1.923 50 5 CDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000003877672 375807478 /nfs/dbraw/zinc/80/74/78/375807478.db2.gz UUOHQDRTUQYINZ-UHFFFAOYSA-N -1 0 285.306 1.274 50 5 CDBARM O=C([O-])[C@@H]1C[C@@H](O)CN1Sc1ccccc1[N+](=O)[O-] ZINC000043505243 175059434 /nfs/dbraw/zinc/05/94/34/175059434.db2.gz DVIHNYNLBLNACY-APPZFPTMSA-N -1 0 284.293 1.122 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOC[C@H]1C1CC1 ZINC000119402817 304525740 /nfs/dbraw/zinc/52/57/40/304525740.db2.gz WIMDLFXWPVBBEI-LBPRGKRZSA-N -1 0 292.291 1.551 50 5 CDBARM Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)[O-] ZINC000001669672 301013227 /nfs/dbraw/zinc/01/32/27/301013227.db2.gz KFHPDUJFQBXXQY-UHFFFAOYSA-N -1 0 262.199 1.058 50 5 CDBARM O=C([N-]c1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1 ZINC000010970584 356663719 /nfs/dbraw/zinc/66/37/19/356663719.db2.gz BGWCCKUMEPVFPM-ZETCQYMHSA-N -1 0 294.223 1.675 50 5 CDBARM O=C([O-])CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000319239 359481780 /nfs/dbraw/zinc/48/17/80/359481780.db2.gz MJVMTUTYGGOSJK-UHFFFAOYSA-N -1 0 281.249 1.822 50 5 CDBARM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000003898356 365148971 /nfs/dbraw/zinc/14/89/71/365148971.db2.gz HLACZWQBYVTMFZ-QPJJXVBHSA-N -1 0 289.247 1.563 50 5 CDBARM CN(C)c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003877745 375807514 /nfs/dbraw/zinc/80/75/14/375807514.db2.gz HPESPZDCCQMDOO-UHFFFAOYSA-N -1 0 255.186 1.267 50 5 CDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC1 ZINC000003878128 304227959 /nfs/dbraw/zinc/22/79/59/304227959.db2.gz GWHHZJIMCOFPBI-UHFFFAOYSA-N -1 0 281.224 1.801 50 5 CDBARM Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000097097017 397959085 /nfs/dbraw/zinc/95/90/85/397959085.db2.gz QDVVODPNJCDNKH-UHFFFAOYSA-N -1 0 293.304 1.995 50 5 CDBARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccn1 ZINC000004713569 170003499 /nfs/dbraw/zinc/00/34/99/170003499.db2.gz DQQOMEKCVFTQMA-UHFFFAOYSA-N -1 0 293.304 1.521 50 5 CDBARM C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020557905 171250859 /nfs/dbraw/zinc/25/08/59/171250859.db2.gz DZPYKYTXQZEIAJ-ZCFIWIBFSA-N -1 0 253.214 1.189 50 5 CDBARM O=C([O-])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000021952282 171339964 /nfs/dbraw/zinc/33/99/64/171339964.db2.gz SAWBVPNJYFXPIA-UHFFFAOYSA-N -1 0 293.279 1.923 50 5 CDBARM CC(=O)Nc1nc([N+](=O)[O-])c(SCC(=O)[O-])s1 ZINC000004257005 336186344 /nfs/dbraw/zinc/18/63/44/336186344.db2.gz CDYLFJCNVMAVML-UHFFFAOYSA-N -1 0 277.283 1.186 50 5 CDBARM O=C([O-])CN(CC1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036884182 363287204 /nfs/dbraw/zinc/28/72/04/363287204.db2.gz QTAMOLKDDKUJPX-UHFFFAOYSA-N -1 0 292.291 1.461 50 5 CDBARM Cc1ccc(Nc2nc(N)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000005728589 357447924 /nfs/dbraw/zinc/44/79/24/357447924.db2.gz NGFIXSOYWFLHMQ-UHFFFAOYSA-N -1 0 261.241 1.312 50 5 CDBARM COc1cc(CN2CCSCC2)cc([N+](=O)[O-])c1[O-] ZINC000000201940 359293522 /nfs/dbraw/zinc/29/35/22/359293522.db2.gz HMXIWAHFOQDKOA-UHFFFAOYSA-N -1 0 284.337 1.858 50 5 CDBARM O=[N+]([O-])c1cc(CN2CCC[C@@H](O)C2)ccc1[O-] ZINC000016662691 360277223 /nfs/dbraw/zinc/27/72/23/360277223.db2.gz PGWIVESVDPNWPU-SNVBAGLBSA-N -1 0 252.270 1.257 50 5 CDBARM O=c1[nH]c(C=Cc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-] ZINC000016400310 373420150 /nfs/dbraw/zinc/42/01/50/373420150.db2.gz TUNGEXRREXLTDF-UTCJRWHESA-N -1 0 277.211 1.693 50 5 CDBARM CCOc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000039289385 377421207 /nfs/dbraw/zinc/42/12/07/377421207.db2.gz OMHGUPCRBWWHHN-UHFFFAOYSA-N -1 0 256.170 1.600 50 5 CDBARM O=[N+]([O-])N=c1ncc(-c2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000002865151 285075192 /nfs/dbraw/zinc/07/51/92/285075192.db2.gz BNIDVSLDOKTSHR-UHFFFAOYSA-N -1 0 261.197 1.655 50 5 CDBARM O=C([O-])CSc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008362645 170333418 /nfs/dbraw/zinc/33/34/18/170333418.db2.gz XJJSHYWUQFKZGG-UHFFFAOYSA-N -1 0 281.249 1.822 50 5 CDBARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[N+](=O)[O-] ZINC000004344453 302726121 /nfs/dbraw/zinc/72/61/21/302726121.db2.gz SRTKLDVWSCXBDM-UHFFFAOYSA-N -1 0 264.197 1.703 50 5 CDBARM O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000096449897 534516098 /nfs/dbraw/zinc/51/60/98/534516098.db2.gz CTMQLYVKFUCZTG-UHFFFAOYSA-N -1 0 275.264 1.532 50 5 CDBARM CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)COC1 ZINC000112728454 374229440 /nfs/dbraw/zinc/22/94/40/374229440.db2.gz NPCVXZMIMCKJHA-UHFFFAOYSA-N -1 0 266.253 1.067 50 5 CDBARM O=C([O-])[C@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000314378 304189390 /nfs/dbraw/zinc/18/93/90/304189390.db2.gz DAFGBJNYNSYTIU-QWRGUYRKSA-N -1 0 299.304 1.622 50 5 CDBARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000002750020 375309280 /nfs/dbraw/zinc/30/92/80/375309280.db2.gz ZVOYQTDOMWNUHN-CBAPKCEASA-N -1 0 254.267 1.383 50 5 CDBARM COc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)[O-] ZINC000004258686 375939498 /nfs/dbraw/zinc/93/94/98/375939498.db2.gz XYWMNJQKQDHIOR-UHFFFAOYSA-N -1 0 268.225 1.407 50 5 CDBARM O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000004566731 280022746 /nfs/dbraw/zinc/02/27/46/280022746.db2.gz UJHHWDGLVGPPDY-UHFFFAOYSA-N -1 0 250.132 1.801 50 5 CDBARM Cc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000001690007 301402132 /nfs/dbraw/zinc/40/21/32/301402132.db2.gz OJTXHPQIEJMIJY-UHFFFAOYSA-N -1 0 251.647 1.803 50 5 CDBARM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000096003998 185062047 /nfs/dbraw/zinc/06/20/47/185062047.db2.gz JOBAHMICIVSSSL-UHFFFAOYSA-N -1 0 282.643 1.929 50 5 CDBARM CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000000033296 357973559 /nfs/dbraw/zinc/97/35/59/357973559.db2.gz MPPOPOLESXYPNH-UHFFFAOYSA-N -1 0 262.221 1.628 50 5 CDBARM Cc1nn(Cc2c(C)onc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000012357827 359045456 /nfs/dbraw/zinc/04/54/56/359045456.db2.gz VJGBACPZKYXDKB-UHFFFAOYSA-N -1 0 280.240 1.451 50 5 CDBARM Cc1cc([N+](=O)[O-])nn1Cc1c(C)onc1C(=O)[O-] ZINC000012357826 359045494 /nfs/dbraw/zinc/04/54/94/359045494.db2.gz PTZDOCAYXXHKEB-UHFFFAOYSA-N -1 0 266.213 1.143 50 5 CDBARM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC000003154495 359046351 /nfs/dbraw/zinc/04/63/51/359046351.db2.gz YZSRNGHESVCCEX-UHFFFAOYSA-N -1 0 295.251 1.835 50 5 CDBARM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000003884756 304110477 /nfs/dbraw/zinc/11/04/77/304110477.db2.gz WGMPZJMJSBSASH-MRVPVSSYSA-N -1 0 295.251 1.804 50 5 CDBARM Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[nH]n2)c1 ZINC000129863413 369910482 /nfs/dbraw/zinc/91/04/82/369910482.db2.gz VVCLRWHBQKPHRB-VIFPVBQESA-N -1 0 276.300 1.656 50 5 CDBARM O=C([O-])c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000005783198 170139810 /nfs/dbraw/zinc/13/98/10/170139810.db2.gz GWCSTTZLYFJGDF-UHFFFAOYSA-N -1 0 266.238 1.562 50 5 CDBARM Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\C(=O)[O-] ZINC000032650313 171742642 /nfs/dbraw/zinc/74/26/42/171742642.db2.gz QRJLYPZBDPQQEO-PLNGDYQASA-N -1 0 250.210 1.483 50 5 CDBARM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000003886115 260013493 /nfs/dbraw/zinc/01/34/93/260013493.db2.gz DOTJUZDQFHQQQX-UHFFFAOYSA-N -1 0 272.282 1.085 50 5 CDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccs2)[nH]1 ZINC000033247720 357807534 /nfs/dbraw/zinc/80/75/34/357807534.db2.gz KUXHZZSVSVVOEG-ARJAWSKDSA-N -1 0 265.250 1.616 50 5 CDBARM O=C([O-])Cn1nc(C(F)F)c([N+](=O)[O-])c1C(F)F ZINC000012395837 374498798 /nfs/dbraw/zinc/49/87/98/374498798.db2.gz IOSPMYFLEOGSNI-UHFFFAOYSA-N -1 0 271.126 1.751 50 5 CDBARM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000095451136 374952279 /nfs/dbraw/zinc/95/22/79/374952279.db2.gz IPBANMZOIKMGAN-UHFFFAOYSA-N -1 0 263.209 1.849 50 5 CDBARM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccon1 ZINC000095466244 374961138 /nfs/dbraw/zinc/96/11/38/374961138.db2.gz JGEJQPFDBBKLFQ-UHFFFAOYSA-N -1 0 283.265 1.692 50 5 CDBARM Cc1cc(NC(=O)/C=C\C(=O)[O-])c([N+](=O)[O-])cc1C ZINC000033363560 301345278 /nfs/dbraw/zinc/34/52/78/301345278.db2.gz ONTMQGIJPCFGIS-ARJAWSKDSA-N -1 0 264.237 1.791 50 5 CDBARM COCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130317905 359311871 /nfs/dbraw/zinc/31/18/71/359311871.db2.gz UAEQCZDAJSEHNK-UHFFFAOYSA-N -1 0 254.242 1.067 50 5 CDBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000019991907 227362880 /nfs/dbraw/zinc/36/28/80/227362880.db2.gz CTAHUEVTRDBKHX-SNVBAGLBSA-N -1 0 252.226 1.418 50 5 CDBARM CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000000314815 277977846 /nfs/dbraw/zinc/97/78/46/277977846.db2.gz WXJKFHSOMYAKSR-UXBLZVDNSA-N -1 0 250.210 1.156 50 5 CDBARM Nc1c2ccccc2c(S(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC000004062525 303493128 /nfs/dbraw/zinc/49/31/28/303493128.db2.gz IRAFAUPOUKQIQL-UHFFFAOYSA-N -1 0 268.250 1.577 50 5 CDBARM C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCOC1 ZINC000127828809 187335966 /nfs/dbraw/zinc/33/59/66/187335966.db2.gz ZOCMDCPIMYHBPW-LBPRGKRZSA-N -1 0 266.253 1.209 50 5 CDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000001822 356463008 /nfs/dbraw/zinc/46/30/08/356463008.db2.gz RFKCCVWFXQAMBJ-UHFFFAOYSA-N -1 0 279.277 1.213 50 5 CDBARM CC(=O)N[C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000000112632 359098841 /nfs/dbraw/zinc/09/88/41/359098841.db2.gz IGXJPNSMMOYCOC-SNVBAGLBSA-N -1 0 252.226 1.247 50 5 CDBARM Cc1c(NC(=O)CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000000301512 359442215 /nfs/dbraw/zinc/44/22/15/359442215.db2.gz LIEPDWIOCULTCM-UHFFFAOYSA-N -1 0 252.226 1.707 50 5 CDBARM O=C([O-])Cc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000003083746 304087954 /nfs/dbraw/zinc/08/79/54/304087954.db2.gz FSTJKYIPTGKUNR-UHFFFAOYSA-N -1 0 260.589 1.784 50 5 CDBARM CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000004219000 375926358 /nfs/dbraw/zinc/92/63/58/375926358.db2.gz YSOQJVVFOIIKBC-ZCFIWIBFSA-N -1 0 288.281 1.124 50 5 CDBARM COc1ccccc1Nc1nc(=NN)[n-]c(C)c1[N+](=O)[O-] ZINC000005394130 170094323 /nfs/dbraw/zinc/09/43/23/170094323.db2.gz UWQOXAZHMGZNMO-UHFFFAOYSA-N -1 0 290.283 1.731 50 5 CDBARM Cc1nn2c(CCCC(=O)[O-])nc3ccccc3c2nc1=O ZINC000032934904 171764556 /nfs/dbraw/zinc/76/45/56/171764556.db2.gz YGOLATISDMWURP-UHFFFAOYSA-N -1 0 298.302 1.353 50 5 CDBARM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1[O-] ZINC000097102710 538436114 /nfs/dbraw/zinc/43/61/14/538436114.db2.gz YGZJPNKKXRCOQK-MRVPVSSYSA-N -1 0 277.236 1.854 50 5 CDBARM C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000003379264 356000760 /nfs/dbraw/zinc/00/07/60/356000760.db2.gz IJKNALURSDMKGW-YFKPBYRVSA-N -1 0 272.644 1.451 50 5 CDBARM O=[N+]([O-])c1cc(CN2CCOCC2)c2cccnc2c1[O-] ZINC000000125078 359129741 /nfs/dbraw/zinc/12/97/41/359129741.db2.gz QKKROWQKHDNSGW-UHFFFAOYSA-N -1 0 289.291 1.681 50 5 CDBARM O=C([O-])CCn1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000319680 373637874 /nfs/dbraw/zinc/63/78/74/373637874.db2.gz CJHKHMLTUPIPBR-UHFFFAOYSA-N -1 0 295.294 1.990 50 5 CDBARM COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000113435625 374254519 /nfs/dbraw/zinc/25/45/19/374254519.db2.gz DETKWRJPNPQDRP-JTQLQIEISA-N -1 0 294.307 1.799 50 5 CDBARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004104993 375870777 /nfs/dbraw/zinc/87/07/77/375870777.db2.gz FRTPHDWLQSBFKN-DTWKUNHWSA-N -1 0 250.210 1.254 50 5 CDBARM O=C([O-])CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000006328504 170191840 /nfs/dbraw/zinc/19/18/40/170191840.db2.gz ZZMXTQHEZQCMRL-UHFFFAOYSA-N -1 0 264.035 1.029 50 5 CDBARM O=C([O-])[C@@H]1C[C@H](O)CN1Sc1ccccc1[N+](=O)[O-] ZINC000043505244 175059426 /nfs/dbraw/zinc/05/94/26/175059426.db2.gz DVIHNYNLBLNACY-CBAPKCEASA-N -1 0 284.293 1.122 50 5 CDBARM CN1C(=N)S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000018086667 289789999 /nfs/dbraw/zinc/78/99/99/289789999.db2.gz OLLOOCVCFKZRGR-PPTIDMBMSA-N -1 0 279.277 1.781 50 5 CDBARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000998111 362491583 /nfs/dbraw/zinc/49/15/83/362491583.db2.gz REBNNJYJJRIBGJ-WDEREUQCSA-N -1 0 296.304 1.642 50 5 CDBARM O=C([O-])c1ccc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000032919085 356429494 /nfs/dbraw/zinc/42/94/94/356429494.db2.gz FMHCQGXBPBZUBY-UHFFFAOYSA-N -1 0 260.205 1.444 50 5 CDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000119291157 357358996 /nfs/dbraw/zinc/35/89/96/357358996.db2.gz YZQGZZVRAJBQKE-UHFFFAOYSA-N -1 0 280.280 1.145 50 5 CDBARM O=C([O-])c1ccc(N2CCOCC2)cc1[N+](=O)[O-] ZINC000071787938 358870916 /nfs/dbraw/zinc/87/09/16/358870916.db2.gz XTCFTNJWMQVACD-UHFFFAOYSA-N -1 0 252.226 1.130 50 5 CDBARM O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000004710366 304115389 /nfs/dbraw/zinc/11/53/89/304115389.db2.gz SDIANLQYYYDMEV-JTQLQIEISA-N -1 0 254.217 1.787 50 5 CDBARM CS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004151068 375893762 /nfs/dbraw/zinc/89/37/62/375893762.db2.gz RQWHKEOWVRYTBP-UHFFFAOYSA-N -1 0 250.663 1.620 50 5 CDBARM CC(=O)N[C@H](C(=O)[O-])[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000005723106 170133322 /nfs/dbraw/zinc/13/33/22/170133322.db2.gz PXNODMWVXRPCGD-HQJQHLMTSA-N -1 0 266.253 1.288 50 5 CDBARM COc1cc([N+](=O)[O-])cc(C=O)c1O[C@@H](C)C(=O)[O-] ZINC000006007555 170167723 /nfs/dbraw/zinc/16/77/23/170167723.db2.gz MIQCEOGOTBKVCB-LURJTMIESA-N -1 0 269.209 1.268 50 5 CDBARM CCCC1=Nc2cccc([N+](=O)[O-])c2S(=O)(=O)[N-]1 ZINC000585138668 931030950 /nfs/dbraw/zinc/03/09/50/931030950.db2.gz BSSVHNQGIYZBLC-UHFFFAOYSA-N -1 0 269.282 1.717 50 5 CDBARM O=C([O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000167440 359172007 /nfs/dbraw/zinc/17/20/07/359172007.db2.gz VFTSLMZECVJNRT-UHFFFAOYSA-N -1 0 278.264 1.532 50 5 CDBARM COc1cc([N+](=O)[O-])ccc1NC(=O)CCCC(=O)[O-] ZINC000033421257 359522439 /nfs/dbraw/zinc/52/24/39/359522439.db2.gz IESNZOWOOLFOEW-UHFFFAOYSA-N -1 0 282.252 1.797 50 5 CDBARM O=C([O-])[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000004237844 304098001 /nfs/dbraw/zinc/09/80/01/304098001.db2.gz JVYAJIFDTIREQQ-SSDOTTSWSA-N -1 0 250.210 1.032 50 5 CDBARM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007777142 369252061 /nfs/dbraw/zinc/25/20/61/369252061.db2.gz MSIOVNOVZUQYED-UHFFFAOYSA-N -1 0 284.215 1.985 50 5 CDBARM O=C([N-]CCNc1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000019913491 170924174 /nfs/dbraw/zinc/92/41/74/170924174.db2.gz JSAHYHFTTUERBS-UHFFFAOYSA-N -1 0 278.190 1.080 50 5 CDBARM Nc1cc(Br)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000004707949 538427863 /nfs/dbraw/zinc/42/78/63/538427863.db2.gz VECCFFGGNNEGSY-UHFFFAOYSA-N -1 0 261.031 1.638 50 5 CDBARM Cc1cc(S(=O)(=O)[N-]c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000090230748 179936707 /nfs/dbraw/zinc/93/67/07/179936707.db2.gz GIBRRCSIVGLDCQ-UHFFFAOYSA-N -1 0 282.281 1.427 50 5 CDBARM O=C([O-])[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000112583 359100526 /nfs/dbraw/zinc/10/05/26/359100526.db2.gz HKWNCNVBEVINPC-ZETCQYMHSA-N -1 0 250.210 1.032 50 5 CDBARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000012021478 304104594 /nfs/dbraw/zinc/10/45/94/304104594.db2.gz IVIIFDNIJAIELF-NSHDSACASA-N -1 0 278.264 1.674 50 5 CDBARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000011919898 390917661 /nfs/dbraw/zinc/91/76/61/390917661.db2.gz FZZIZIKYNJDVFZ-QWRGUYRKSA-N -1 0 288.263 1.006 50 5 biogenic CDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000004706296 170002648 /nfs/dbraw/zinc/00/26/48/170002648.db2.gz OQXBTGJQDWQQBY-UHFFFAOYSA-N -1 0 279.277 1.791 50 5 CDBARM COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\C(=O)[O-] ZINC000004865751 170032614 /nfs/dbraw/zinc/03/26/14/170032614.db2.gz GMNCTMJKDGTIJZ-PLNGDYQASA-N -1 0 266.209 1.183 50 5 CDBARM CN(CCn1cccn1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097373294 323208022 /nfs/dbraw/zinc/20/80/22/323208022.db2.gz WYIDBNSNEVFRHZ-UHFFFAOYSA-N -1 0 290.279 1.269 50 5 CDBARM Nc1ncnc([N-]c2cc([N+](=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC000004059586 230367950 /nfs/dbraw/zinc/36/79/50/230367950.db2.gz ZRNLQKMSMUJDDH-UHFFFAOYSA-N -1 0 294.202 1.758 50 5 CDBARM O=C([O-])C1=NC(=O)N[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000005517563 304035622 /nfs/dbraw/zinc/03/56/22/304035622.db2.gz ITZYTCUEDSFOBR-QMMMGPOBSA-N -1 0 297.654 1.571 50 5 CDBARM NC(=O)c1cc([N+](=O)[O-])c[n-]c1=NOCc1ccccc1 ZINC000015830826 363366077 /nfs/dbraw/zinc/36/60/77/363366077.db2.gz PWAVCCGODSPEFZ-UHFFFAOYSA-N -1 0 288.263 1.632 50 5 CDBARM CSc1nc(=O)[n-]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100400016 358828677 /nfs/dbraw/zinc/82/86/77/358828677.db2.gz ODNXQRLUYNYHTN-UHFFFAOYSA-N -1 0 297.252 1.099 50 5 CDBARM Nc1c(C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000016677994 360454334 /nfs/dbraw/zinc/45/43/34/360454334.db2.gz MCQLFDJHSKKLHC-UHFFFAOYSA-N -1 0 261.031 1.638 50 5 CDBARM O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004517275 304115293 /nfs/dbraw/zinc/11/52/93/304115293.db2.gz MVZXUWLTGGBNHL-VIFPVBQESA-N -1 0 281.224 1.556 50 5 in-vitro CDBARM Cc1cc([N+](=O)[O-])c(N[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000003884562 364988957 /nfs/dbraw/zinc/98/89/57/364988957.db2.gz DVLHHRWRGJGLKJ-LURJTMIESA-N -1 0 269.213 1.696 50 5 CDBARM C[C@@H]1CN(c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000035571835 277916760 /nfs/dbraw/zinc/91/67/60/277916760.db2.gz VGOLNVZXOIJBKT-DTORHVGOSA-N -1 0 252.270 1.914 50 5 CDBARM CCn1c2ccccc2c2oc(=O)cc([O-])c2c1=O ZINC000100294755 288691805 /nfs/dbraw/zinc/69/18/05/288691805.db2.gz QXLFCAOVWBNKOW-UHFFFAOYSA-N -1 0 257.245 1.833 50 5 CDBARM O=C([O-])[C@@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000000077898 358247779 /nfs/dbraw/zinc/24/77/79/358247779.db2.gz WHEHQPOUIXMETN-IUCAKERBSA-N -1 0 254.267 1.383 50 5 CDBARM CCN(CCO)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000037853806 373805949 /nfs/dbraw/zinc/80/59/49/373805949.db2.gz INXVKXCIWNHLTH-UHFFFAOYSA-N -1 0 254.242 1.112 50 5 CDBARM CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000003158755 375564507 /nfs/dbraw/zinc/56/45/07/375564507.db2.gz FIPUZPDKKLFFRA-UHFFFAOYSA-N -1 0 256.170 1.385 50 5 CDBARM Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000004054553 375855122 /nfs/dbraw/zinc/85/51/22/375855122.db2.gz VZDCWVDXVPXQSO-MRVPVSSYSA-N -1 0 295.251 1.865 50 5 CDBARM Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1 ZINC000005296594 390959246 /nfs/dbraw/zinc/95/92/46/390959246.db2.gz OTABPJFJMIHGIH-UHFFFAOYSA-N -1 0 264.197 1.616 50 5 CDBARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000002750018 169825355 /nfs/dbraw/zinc/82/53/55/169825355.db2.gz ZVOYQTDOMWNUHN-APPZFPTMSA-N -1 0 254.267 1.383 50 5 CDBARM CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000003115917 169857276 /nfs/dbraw/zinc/85/72/76/169857276.db2.gz LZWADQIMVRIANQ-UHFFFAOYSA-N -1 0 266.253 1.775 50 5 CDBARM O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004425721 169966848 /nfs/dbraw/zinc/96/68/48/169966848.db2.gz LFUGLIZRNPFEON-UHFFFAOYSA-N -1 0 252.226 1.788 50 5 CDBARM C[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000015936655 170682785 /nfs/dbraw/zinc/68/27/85/170682785.db2.gz NSLLFDRUMYVGIQ-VKHMYHEASA-N -1 0 253.136 1.456 50 5 CDBARM O=c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)n[nH]1 ZINC000003681396 280369730 /nfs/dbraw/zinc/36/97/30/280369730.db2.gz VLMJUYQJXCZRIL-UHFFFAOYSA-N -1 0 257.209 1.634 50 5 CDBARM Cc1[nH]nc(C(=O)Nc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC000096436589 329526389 /nfs/dbraw/zinc/52/63/89/329526389.db2.gz YXKGDONLXGHXKU-UHFFFAOYSA-N -1 0 280.215 1.723 50 5 CDBARM