smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C ZINC000585142395 354815715 /nfs/dbraw/zinc/81/57/15/354815715.db2.gz WATQHRGJQWPYNU-WDEREUQCSA-N 1 0 307.354 1.229 50 5 DDBARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000023509313 182362493 /nfs/dbraw/zinc/36/24/93/182362493.db2.gz MZHDCDLFIPHOSD-BETUJISGSA-N 1 0 321.377 1.824 50 5 DDBARO [NH3+]CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000044075728 183393709 /nfs/dbraw/zinc/39/37/09/183393709.db2.gz CSIMUTTYUDLNNI-UHFFFAOYSA-N 1 0 301.368 1.392 50 5 DDBARO O=[N+]([O-])c1cccnc1NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000044976793 418436570 /nfs/dbraw/zinc/43/65/70/418436570.db2.gz BTDACPAGFNMFRP-TZMCWYRMSA-N 1 0 306.366 1.903 50 5 DDBARO COc1cccc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302475819 278016119 /nfs/dbraw/zinc/01/61/19/278016119.db2.gz FAXGBPQFASRNTI-LBPRGKRZSA-N 1 0 323.393 1.885 50 5 DDBARO CNC(=O)c1ccc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000072296177 191111543 /nfs/dbraw/zinc/11/15/43/191111543.db2.gz KWMRUNXJMQHEHC-LBPRGKRZSA-N 1 0 306.366 1.485 50 5 DDBARO CC[NH+](CC)CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000097377184 193713984 /nfs/dbraw/zinc/71/39/84/193713984.db2.gz PAQZEWVJFMMORY-UHFFFAOYSA-N 1 0 318.171 1.861 50 5 DDBARO CSCC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606776 186130291 /nfs/dbraw/zinc/13/02/91/186130291.db2.gz IWGMOFHEOTYVJD-ZDUSSCGKSA-N 1 0 309.391 1.560 50 5 DDBARO CNC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000069813584 406776806 /nfs/dbraw/zinc/77/68/06/406776806.db2.gz MFOHYQPDTJVGNC-UHFFFAOYSA-N 1 0 306.366 1.421 50 5 DDBARO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000170616426 407453789 /nfs/dbraw/zinc/45/37/89/407453789.db2.gz YTJXBCJCXCQWBF-GFCCVEGCSA-N 1 0 313.379 1.310 50 5 DDBARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000239667336 407903765 /nfs/dbraw/zinc/90/37/65/407903765.db2.gz BPPMEPUCCMZZBC-HIFRSBDPSA-N 1 0 303.362 1.690 50 5 DDBARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000016677798 279095592 /nfs/dbraw/zinc/09/55/92/279095592.db2.gz VHQDOWQSZHIKJL-YPMHNXCESA-N 1 0 319.361 1.992 50 5 DDBARO Nc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000160431451 283688149 /nfs/dbraw/zinc/68/81/49/283688149.db2.gz OYGJMSUQYZFRPL-LLVKDONJSA-N 1 0 306.370 1.422 50 5 DDBARO O=C(NC[C@@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000040554348 183101141 /nfs/dbraw/zinc/10/11/41/183101141.db2.gz WIRNPWJIASNJHP-LLVKDONJSA-N 1 0 308.338 1.173 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)nc1 ZINC000048301260 285134863 /nfs/dbraw/zinc/13/48/63/285134863.db2.gz NIVMVRMPASJWCZ-GXTWGEPZSA-N 1 0 306.366 1.903 50 5 DDBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000003877907 406718500 /nfs/dbraw/zinc/71/85/00/406718500.db2.gz KKBSYQCICYAIOU-UHFFFAOYSA-N 1 0 306.366 1.183 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091931 407123320 /nfs/dbraw/zinc/12/33/20/407123320.db2.gz HCBCNWPHRFGPJB-CMPLNLGQSA-N 1 0 313.379 1.309 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCCn3ccnc3)CC2)nc1 ZINC000096493100 407272425 /nfs/dbraw/zinc/27/24/25/407272425.db2.gz AUIHMVGQHGFJFC-UHFFFAOYSA-N 1 0 316.365 1.399 50 5 DDBARO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c1C ZINC000097229422 337382204 /nfs/dbraw/zinc/38/22/04/337382204.db2.gz ADOWKUXGZKWSFO-NSHDSACASA-N 1 0 313.379 1.227 50 5 DDBARO CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004313622 181095822 /nfs/dbraw/zinc/09/58/22/181095822.db2.gz OWAWCKZAKWSVSQ-UHFFFAOYSA-N 1 0 312.757 1.434 50 5 DDBARO CC[NH+]1CCN(CCOCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000005065426 181199847 /nfs/dbraw/zinc/19/98/47/181199847.db2.gz UXTKOGUDVNSFHU-UHFFFAOYSA-N 1 0 323.393 1.628 50 5 DDBARO Nc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000160431569 283688153 /nfs/dbraw/zinc/68/81/53/283688153.db2.gz OYGJMSUQYZFRPL-NSHDSACASA-N 1 0 306.370 1.422 50 5 DDBARO COc1ccc(C[N@H+](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000071897028 184892985 /nfs/dbraw/zinc/89/29/85/184892985.db2.gz PZOGGQJRQWPLDB-UHFFFAOYSA-N 1 0 309.366 1.367 50 5 DDBARO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096487658 407272472 /nfs/dbraw/zinc/27/24/72/407272472.db2.gz SGIIFMBLUPCHEN-GFCCVEGCSA-N 1 0 321.381 1.323 50 5 DDBARO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247821517 408511311 /nfs/dbraw/zinc/51/13/11/408511311.db2.gz IEXGRVIRSZSVAW-LBPRGKRZSA-N 1 0 305.334 1.666 50 5 DDBARO CNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287011 418454423 /nfs/dbraw/zinc/45/44/23/418454423.db2.gz YWRWDGPMZJUEIH-UONOGXRCSA-N 1 0 318.377 1.993 50 5 DDBARO CCOc1cccc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000096503070 407273650 /nfs/dbraw/zinc/27/36/50/407273650.db2.gz OQECODPPPFTYOD-GXTWGEPZSA-N 1 0 307.350 1.513 50 5 DDBARO COC[C@@]1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261696765 163686609 /nfs/dbraw/zinc/68/66/09/163686609.db2.gz IBGONLGZGNOGMT-LBPRGKRZSA-N 1 0 300.746 1.824 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[N@@H+]2CC[C@H](O)C2)C1 ZINC000585132697 354811270 /nfs/dbraw/zinc/81/12/70/354811270.db2.gz NBXLOWUAFOVJCH-ZFWWWQNUSA-N 1 0 320.393 1.581 50 5 DDBARO C[NH+]1CCN(CCOCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000004868785 181166333 /nfs/dbraw/zinc/16/63/33/181166333.db2.gz LRZBCKYVNICMQI-UHFFFAOYSA-N 1 0 309.366 1.238 50 5 DDBARO Nc1nc(NCCC[NH3+])nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000005120277 181205948 /nfs/dbraw/zinc/20/59/48/181205948.db2.gz ZYJKUCBXICPJEM-UHFFFAOYSA-N 1 0 321.316 1.610 50 5 DDBARO OCC[n+]1c2ccccc2nc2ccc(N3CCOCC3)cc21 ZINC000004140721 406724386 /nfs/dbraw/zinc/72/43/86/406724386.db2.gz GNWBCWMEPWXQGO-UHFFFAOYSA-N 1 0 310.377 1.504 50 5 DDBARO Cc1c(NC(=O)CC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000026228008 406903387 /nfs/dbraw/zinc/90/33/87/406903387.db2.gz ZPERUJLERBQFFA-UHFFFAOYSA-N 1 0 307.350 1.689 50 5 DDBARO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH3+] ZINC000095967020 407218488 /nfs/dbraw/zinc/21/84/88/407218488.db2.gz SXXOXKRMDCITIN-UHFFFAOYSA-N 1 0 307.759 1.184 50 5 DDBARO Cc1c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000253417513 407443069 /nfs/dbraw/zinc/44/30/69/407443069.db2.gz KOBLQAYNPXJBCH-GXTWGEPZSA-N 1 0 310.375 1.522 50 5 DDBARO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000229400205 407661183 /nfs/dbraw/zinc/66/11/83/407661183.db2.gz YWRWDGPMZJUEIH-KGLIPLIRSA-N 1 0 318.377 1.993 50 5 DDBARO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCN1CCOCC1)OCO2 ZINC000020029409 182181577 /nfs/dbraw/zinc/18/15/77/182181577.db2.gz KTVDEELTFVQLKA-UHFFFAOYSA-N 1 0 323.349 1.135 50 5 DDBARO Cc1ccoc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000075092325 406921409 /nfs/dbraw/zinc/92/14/09/406921409.db2.gz LPQYQBYKSPSSJT-ZFWWWQNUSA-N 1 0 306.318 1.680 50 5 DDBARO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)c1[N+](=O)[O-] ZINC000096414343 407262056 /nfs/dbraw/zinc/26/20/56/407262056.db2.gz ZDWMAVJZYDHLPT-NSHDSACASA-N 1 0 323.397 1.732 50 5 DDBARO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000096441437 407266567 /nfs/dbraw/zinc/26/65/67/407266567.db2.gz YMVONIJQIMZPFE-MRXNPFEDSA-N 1 0 316.361 1.253 50 5 DDBARO [NH3+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170623430 407458100 /nfs/dbraw/zinc/45/81/00/407458100.db2.gz VEVLOBGVPLTVOK-CQSZACIVSA-N 1 0 321.358 1.573 50 5 DDBARO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000095407757 185356453 /nfs/dbraw/zinc/35/64/53/185356453.db2.gz DHNOZLOGJPSUBB-NSHDSACASA-N 1 0 306.366 1.980 50 5 DDBARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000097375269 193713522 /nfs/dbraw/zinc/71/35/22/193713522.db2.gz SPDYHDQVRPPYML-NSHDSACASA-N 1 0 321.381 1.424 50 5 DDBARO C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100047524 193793413 /nfs/dbraw/zinc/79/34/13/193793413.db2.gz LZCOQTDXKCNBEE-IKIFYQGPSA-N 1 0 318.393 1.063 50 5 world DDBARO O=[N+]([O-])c1cc(C[N+]23CCN(CC2)CC3)c2c(c1)COCO2 ZINC000003336337 285086397 /nfs/dbraw/zinc/08/63/97/285086397.db2.gz HNBJMHBOFONIQK-UHFFFAOYSA-N 1 0 306.342 1.107 50 5 DDBARO C[NH+]1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000192535617 408606363 /nfs/dbraw/zinc/60/63/63/408606363.db2.gz GQAQFQHPZRSWEM-UHFFFAOYSA-N 1 0 313.427 1.879 50 5 DDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000298877780 410434424 /nfs/dbraw/zinc/43/44/24/410434424.db2.gz XJEWUVGFKVXOLT-UHFFFAOYSA-N 1 0 303.362 1.692 50 5 DDBARO CN(c1ncc([N+](=O)[O-])c(NC2CC2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000076023490 353391641 /nfs/dbraw/zinc/39/16/41/353391641.db2.gz UHIRDIRDYFHAPX-NSHDSACASA-N 1 0 306.370 1.490 50 5 DDBARO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000058046392 184070709 /nfs/dbraw/zinc/07/07/09/184070709.db2.gz IAMVNCARHFOUGV-UHFFFAOYSA-N 1 0 301.368 1.133 50 5 DDBARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058424392 184116660 /nfs/dbraw/zinc/11/66/60/184116660.db2.gz QGBNUGCTZIMADX-ZFWWWQNUSA-N 1 0 321.352 1.572 50 5 DDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000069517122 406726388 /nfs/dbraw/zinc/72/63/88/406726388.db2.gz LMEOQUYMFYMBON-ZDUSSCGKSA-N 1 0 321.377 1.601 50 5 DDBARO CC(C)[N@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000095350048 407207175 /nfs/dbraw/zinc/20/71/75/407207175.db2.gz UJTOPNTYPCGGRC-UHFFFAOYSA-N 1 0 309.366 1.820 50 5 DDBARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000096430910 407265998 /nfs/dbraw/zinc/26/59/98/407265998.db2.gz SDTBKGAOVJMIRB-CYBMUJFWSA-N 1 0 320.393 1.441 50 5 DDBARO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000222143315 407554398 /nfs/dbraw/zinc/55/43/98/407554398.db2.gz WNXMLJCDDZFPBD-UJZCVKTISA-N 1 0 301.346 1.961 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000585132694 354811067 /nfs/dbraw/zinc/81/10/67/354811067.db2.gz NBXLOWUAFOVJCH-DZGCQCFKSA-N 1 0 320.393 1.581 50 5 DDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110792558 194359019 /nfs/dbraw/zinc/35/90/19/194359019.db2.gz DOJVHBVUQRGAGC-LLVKDONJSA-N 1 0 313.379 1.263 50 5 DDBARO COCC[N@@H+]1CC[C@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089365324 407131829 /nfs/dbraw/zinc/13/18/29/407131829.db2.gz PECXWRJBLLSZGI-LBPRGKRZSA-N 1 0 322.365 1.461 50 5 DDBARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002058267 180908791 /nfs/dbraw/zinc/90/87/91/180908791.db2.gz MUAUOTKVAMHSOQ-UHFFFAOYSA-N 1 0 315.395 1.605 50 5 DDBARO C[C@H]([NH2+]C[C@@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968510 299312233 /nfs/dbraw/zinc/31/22/33/299312233.db2.gz IBHQSIZREZGRMY-XJKSGUPXSA-N 1 0 323.393 1.329 50 5 DDBARO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000069529408 406729890 /nfs/dbraw/zinc/72/98/90/406729890.db2.gz PFUGDOZZRRBZSG-CYBMUJFWSA-N 1 0 321.377 1.963 50 5 DDBARO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069844547 406778711 /nfs/dbraw/zinc/77/87/11/406778711.db2.gz YRSJAGIAWRMDTN-NSHDSACASA-N 1 0 313.379 1.215 50 5 DDBARO C[NH+](C)C[C@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032809981 406953493 /nfs/dbraw/zinc/95/34/93/406953493.db2.gz CZINKMIBIQRRFJ-SECBINFHSA-N 1 0 307.272 1.948 50 5 DDBARO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000096483360 407271322 /nfs/dbraw/zinc/27/13/22/407271322.db2.gz AVUMKJNKELKDQV-LLVKDONJSA-N 1 0 315.395 1.555 50 5 DDBARO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000170600180 407449467 /nfs/dbraw/zinc/44/94/67/407449467.db2.gz OQZGHQOKRBAMNB-UHFFFAOYSA-N 1 0 320.349 1.396 50 5 DDBARO O=[N+]([O-])c1cccc(-c2noc(CSC3=[NH+]CCN3)n2)c1 ZINC000000150608 331459796 /nfs/dbraw/zinc/45/97/96/331459796.db2.gz ZYHHRDLOWOCCLG-UHFFFAOYSA-N 1 0 305.319 1.837 50 5 DDBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000004703482 181139865 /nfs/dbraw/zinc/13/98/65/181139865.db2.gz FQICIXJGFNPVGQ-UHFFFAOYSA-N 1 0 305.378 1.891 50 5 DDBARO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593732913 355980182 /nfs/dbraw/zinc/98/01/82/355980182.db2.gz RGBVJFVNZSGKNF-UHFFFAOYSA-N 1 0 313.379 1.263 50 5 DDBARO NC(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000032779323 283378778 /nfs/dbraw/zinc/37/87/78/283378778.db2.gz SLSLFQLVLRJECF-UHFFFAOYSA-N 1 0 318.377 1.758 50 5 DDBARO Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069369876 406702944 /nfs/dbraw/zinc/70/29/44/406702944.db2.gz SJTPHCLACZVKLU-ZDUSSCGKSA-N 1 0 318.377 1.877 50 5 DDBARO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069586315 406738566 /nfs/dbraw/zinc/73/85/66/406738566.db2.gz RKPMLZZMCSNULH-HUUCEWRRSA-N 1 0 319.361 1.717 50 5 DDBARO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000075110058 406921405 /nfs/dbraw/zinc/92/14/05/406921405.db2.gz NTDOQKNLDRTRMK-QWRGUYRKSA-N 1 0 324.385 1.268 50 5 DDBARO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000195544498 407463600 /nfs/dbraw/zinc/46/36/00/407463600.db2.gz SKZXMQNSXQAVTB-UHFFFAOYSA-N 1 0 307.759 1.184 50 5 DDBARO CCOc1cccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000245338809 276381450 /nfs/dbraw/zinc/38/14/50/276381450.db2.gz OQECODPPPFTYOD-JSGCOSHPSA-N 1 0 307.350 1.513 50 5 DDBARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000023509310 182362553 /nfs/dbraw/zinc/36/25/53/182362553.db2.gz MZHDCDLFIPHOSD-CHWSQXEVSA-N 1 0 321.377 1.824 50 5 DDBARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063193852 289777718 /nfs/dbraw/zinc/77/77/18/289777718.db2.gz XMLLJYVDYSZIRC-GWCFXTLKSA-N 1 0 313.379 1.485 50 5 DDBARO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000150324215 186056928 /nfs/dbraw/zinc/05/69/28/186056928.db2.gz VCBGDIYFTFHZEJ-SNVBAGLBSA-N 1 0 301.368 1.391 50 5 DDBARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000097375115 353919760 /nfs/dbraw/zinc/91/97/60/353919760.db2.gz UHESIUPEKFJDTD-RYUDHWBXSA-N 1 0 307.350 1.737 50 5 DDBARO Cc1cc(OCCC[NH2+]CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000004832514 181158661 /nfs/dbraw/zinc/15/86/61/181158661.db2.gz CQWCCJZKBIUEJL-UHFFFAOYSA-N 1 0 323.393 1.594 50 5 DDBARO CC(C)[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000069529405 406727405 /nfs/dbraw/zinc/72/74/05/406727405.db2.gz PFUGDOZZRRBZSG-ZDUSSCGKSA-N 1 0 321.377 1.963 50 5 DDBARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070173609 406810471 /nfs/dbraw/zinc/81/04/71/406810471.db2.gz ULXDDFPSOYJUID-WDEREUQCSA-N 1 0 313.379 1.343 50 5 DDBARO CC[NH+](CC)CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000131203298 196149203 /nfs/dbraw/zinc/14/92/03/196149203.db2.gz JEYUUJOXMPLKJR-UHFFFAOYSA-N 1 0 318.171 1.861 50 5 DDBARO Cc1ncsc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324908 484003084 /nfs/dbraw/zinc/00/30/84/484003084.db2.gz XVEQBJGQKAZZSH-TZMCWYRMSA-N 1 0 323.374 1.544 50 5 DDBARO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070170372 190865800 /nfs/dbraw/zinc/86/58/00/190865800.db2.gz DUENEHYTENFVJU-LLVKDONJSA-N 1 0 313.379 1.344 50 5 DDBARO Cc1ccc([N+](=O)[O-])c(OCCOCCN2CC[NH+](C)CC2)c1 ZINC000004842252 181161359 /nfs/dbraw/zinc/16/13/59/181161359.db2.gz PZJBKNUPSNOKHJ-UHFFFAOYSA-N 1 0 323.393 1.546 50 5 DDBARO CC(C)[N@H+](CCC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000058142108 184080372 /nfs/dbraw/zinc/08/03/72/184080372.db2.gz SKIZGMAWHKWULM-UHFFFAOYSA-N 1 0 308.338 1.390 50 5 DDBARO C[N@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000064916272 184306176 /nfs/dbraw/zinc/30/61/76/184306176.db2.gz RINITKFBVQCSOW-UHFFFAOYSA-N 1 0 302.338 1.511 50 5 DDBARO Cn1nnnc1SCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000007540469 406760758 /nfs/dbraw/zinc/76/07/58/406760758.db2.gz DJSFZBNRJWKZAM-UHFFFAOYSA-N 1 0 308.367 1.390 50 5 DDBARO Nc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000069779824 406770786 /nfs/dbraw/zinc/77/07/86/406770786.db2.gz HMCXNEGSRIAQHK-CYBMUJFWSA-N 1 0 318.377 1.877 50 5 DDBARO COC(=O)C1CC[NH+](CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000095351779 407208333 /nfs/dbraw/zinc/20/83/33/407208333.db2.gz JBMXHQXVWCXUNF-UHFFFAOYSA-N 1 0 322.365 1.677 50 5 DDBARO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000074763627 191356391 /nfs/dbraw/zinc/35/63/91/191356391.db2.gz NGPYHODIHMJMGB-CQSZACIVSA-N 1 0 319.409 1.514 50 5 DDBARO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000091846050 193117081 /nfs/dbraw/zinc/11/70/81/193117081.db2.gz PLJNMRJLUPBLKO-UHFFFAOYSA-N 1 0 313.379 1.485 50 5 DDBARO COc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000058298722 184102549 /nfs/dbraw/zinc/10/25/49/184102549.db2.gz DZMVGTGRLIJGLU-STQMWFEESA-N 1 0 319.361 1.960 50 5 DDBARO CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[NH+](C)C)o1 ZINC000001530728 406671240 /nfs/dbraw/zinc/67/12/40/406671240.db2.gz VMXUWOKSQNHOCA-UKTHLTGXSA-N 1 0 314.411 1.459 50 5 fda DDBARO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002780274 406697817 /nfs/dbraw/zinc/69/78/17/406697817.db2.gz VGPGWPOBDOOVAH-UHFFFAOYSA-N 1 0 309.370 1.367 50 5 DDBARO CC1(C)CC(NC(=O)CCn2ccc([N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC000002781796 406700646 /nfs/dbraw/zinc/70/06/46/406700646.db2.gz ZKBBQBUBYJAVFT-UHFFFAOYSA-N 1 0 323.397 1.607 50 5 DDBARO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 ZINC000089346370 407131947 /nfs/dbraw/zinc/13/19/47/407131947.db2.gz KZQPICFPIJHNRL-UHFFFAOYSA-N 1 0 312.391 1.817 50 5 DDBARO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251785066 222243931 /nfs/dbraw/zinc/24/39/31/222243931.db2.gz NGOBRWARCISHHZ-ZWNOBZJWSA-N 1 0 313.379 1.343 50 5 DDBARO CC(=O)c1ccc[n+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000003362608 181011648 /nfs/dbraw/zinc/01/16/48/181011648.db2.gz VXCRDJSHDJRZLT-UHFFFAOYSA-N 1 0 315.305 2.000 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[N@@H+]2CC[C@H](O)C2)C1 ZINC000585132695 354811125 /nfs/dbraw/zinc/81/11/25/354811125.db2.gz NBXLOWUAFOVJCH-HIFRSBDPSA-N 1 0 320.393 1.581 50 5 DDBARO Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000074763629 191355707 /nfs/dbraw/zinc/35/57/07/191355707.db2.gz NGPYHODIHMJMGB-AWEZNQCLSA-N 1 0 319.409 1.514 50 5 DDBARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000024765154 182390949 /nfs/dbraw/zinc/39/09/49/182390949.db2.gz VAHAKCYBGVAFLK-HNNXBMFYSA-N 1 0 321.377 1.681 50 5 DDBARO Cc1nc([N+](=O)[O-])c(SC[C@@H](O)C[NH+]2CCCCC2)[nH]1 ZINC000005687096 406736642 /nfs/dbraw/zinc/73/66/42/406736642.db2.gz YGVSKPOGKRSMQT-JTQLQIEISA-N 1 0 300.384 1.565 50 5 DDBARO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000069456167 406714053 /nfs/dbraw/zinc/71/40/53/406714053.db2.gz GUZIHLDVWRYPCF-GFCCVEGCSA-N 1 0 320.393 1.873 50 5 DDBARO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000170617939 407457577 /nfs/dbraw/zinc/45/75/77/407457577.db2.gz IYHPRBVUOFZLMU-ZDUSSCGKSA-N 1 0 317.349 1.659 50 5 DDBARO O=[N+]([O-])c1cccc2c(N3CC[NH+](CCO)CC3)ccnc21 ZINC000004593411 275039702 /nfs/dbraw/zinc/03/97/02/275039702.db2.gz WSMLSTRSZOAEBK-UHFFFAOYSA-N 1 0 302.334 1.257 50 5 DDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722332 184154894 /nfs/dbraw/zinc/15/48/94/184154894.db2.gz ZCLZHUCGMCWEDK-GJZGRUSLSA-N 1 0 303.362 1.880 50 5 DDBARO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122660070 195482904 /nfs/dbraw/zinc/48/29/04/195482904.db2.gz NGOBRWARCISHHZ-GWCFXTLKSA-N 1 0 313.379 1.343 50 5 DDBARO Cn1cnc([N+](=O)[O-])c1SC[C@H](O)C[NH+]1CCCCC1 ZINC000002334186 406686949 /nfs/dbraw/zinc/68/69/49/406686949.db2.gz JRHSFEMHVXWJQQ-SNVBAGLBSA-N 1 0 300.384 1.267 50 5 DDBARO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000013671547 406866500 /nfs/dbraw/zinc/86/65/00/406866500.db2.gz PLOXIZWULIJJHQ-UHFFFAOYSA-N 1 0 320.393 1.271 50 5 DDBARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000016677799 406884029 /nfs/dbraw/zinc/88/40/29/406884029.db2.gz VHQDOWQSZHIKJL-AAEUAGOBSA-N 1 0 319.361 1.992 50 5 DDBARO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000225322755 407582241 /nfs/dbraw/zinc/58/22/41/407582241.db2.gz BFYINUYYZXGTKR-GWCFXTLKSA-N 1 0 313.379 1.343 50 5 DDBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000248086791 408535413 /nfs/dbraw/zinc/53/54/13/408535413.db2.gz SNAQHXUZKQFKST-BFJAYTPKSA-N 1 0 315.373 1.795 50 5 DDBARO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000585087689 771937062 /nfs/dbraw/zinc/93/70/62/771937062.db2.gz HGTHCGGZLQHDTP-UHFFFAOYSA-N 1 0 321.381 1.268 50 5 DDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740938 183127172 /nfs/dbraw/zinc/12/71/72/183127172.db2.gz OCGCSUPLYRXXDP-ZACCUICWSA-N 1 0 311.363 1.156 50 5 DDBARO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000071843952 184866658 /nfs/dbraw/zinc/86/66/58/184866658.db2.gz HKXFBXMRTSBHGN-UHFFFAOYSA-N 1 0 301.368 1.354 50 5 DDBARO CC[N@@H+]1CCC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000060452615 407225028 /nfs/dbraw/zinc/22/50/28/407225028.db2.gz PKQWAJNGKLRFAY-LLVKDONJSA-N 1 0 317.349 1.499 50 5 DDBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000248086793 408535376 /nfs/dbraw/zinc/53/53/76/408535376.db2.gz SNAQHXUZKQFKST-SDADXPQNSA-N 1 0 315.373 1.795 50 5 DDBARO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177399 287358810 /nfs/dbraw/zinc/35/88/10/287358810.db2.gz BFYINUYYZXGTKR-ZWNOBZJWSA-N 1 0 313.379 1.343 50 5 DDBARO COC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000095466033 277152447 /nfs/dbraw/zinc/15/24/47/277152447.db2.gz QPTKIYNOGJLBGG-XHDPSFHLSA-N 1 0 319.361 1.912 50 5 DDBARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000089814095 283321072 /nfs/dbraw/zinc/32/10/72/283321072.db2.gz VUHISCQIEDUPDC-HNNXBMFYSA-N 1 0 318.377 1.513 50 5 DDBARO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc2ccccn21 ZINC000106167015 194190247 /nfs/dbraw/zinc/19/02/47/194190247.db2.gz BCBWZWHJUWXEHY-NWDGAFQWSA-N 1 0 317.349 1.518 50 5 DDBARO C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063159710 184274983 /nfs/dbraw/zinc/27/49/83/184274983.db2.gz SEFNXBZAKABVSC-UHFFFAOYSA-N 1 0 313.379 1.215 50 5 DDBARO Cn1nnnc1SCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000007540474 406761465 /nfs/dbraw/zinc/76/14/65/406761465.db2.gz ZTMGOQJZAVHGTJ-UHFFFAOYSA-N 1 0 308.367 1.390 50 5 DDBARO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071893409 406862894 /nfs/dbraw/zinc/86/28/94/406862894.db2.gz MUAZIGRCAPVUTK-UHFFFAOYSA-N 1 0 307.350 1.528 50 5 DDBARO COCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075493677 406933280 /nfs/dbraw/zinc/93/32/80/406933280.db2.gz FEDLMUMWPVFPAQ-UHFFFAOYSA-N 1 0 310.354 1.685 50 5 DDBARO CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000283048147 409076784 /nfs/dbraw/zinc/07/67/84/409076784.db2.gz BPOCZUJQSFQJST-UHFFFAOYSA-N 1 0 321.377 1.364 50 5 DDBARO COC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000108170938 418499314 /nfs/dbraw/zinc/49/93/14/418499314.db2.gz QPTKIYNOGJLBGG-ABAIWWIYSA-N 1 0 319.361 1.912 50 5 DDBARO Cc1cc(OCCOCC[NH2+]CCN(C)C)ccc1[N+](=O)[O-] ZINC000005049100 181196826 /nfs/dbraw/zinc/19/68/26/181196826.db2.gz QPGYSWVQVRGYQA-UHFFFAOYSA-N 1 0 311.382 1.450 50 5 DDBARO Cc1nc(NC(=[NH2+])Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1C ZINC000018148547 182095032 /nfs/dbraw/zinc/09/50/32/182095032.db2.gz ZHJXVTVBIMXAPB-UHFFFAOYSA-N 1 0 302.294 1.754 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000064337437 407237709 /nfs/dbraw/zinc/23/77/09/407237709.db2.gz BZFMCOSVGRRKKU-NWDGAFQWSA-N 1 0 322.321 1.778 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CO)c1 ZINC000103490231 407341155 /nfs/dbraw/zinc/34/11/55/407341155.db2.gz RZQYBCXNCIZORR-KBPBESRZSA-N 1 0 310.350 1.181 50 5 DDBARO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236664344 407742373 /nfs/dbraw/zinc/74/23/73/407742373.db2.gz RCFKGERJTIBUQQ-ZDUSSCGKSA-N 1 0 320.393 1.617 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048261503 418468113 /nfs/dbraw/zinc/46/81/13/418468113.db2.gz FGRHWPFPLVBEIV-UHFFFAOYSA-N 1 0 318.377 1.993 50 5 DDBARO O=[N+]([O-])c1ccccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000079311299 185164440 /nfs/dbraw/zinc/16/44/40/185164440.db2.gz ZOZMHNDENNGDHM-UHFFFAOYSA-N 1 0 322.409 1.397 50 5 DDBARO CCn1c2ccccc2c(NCC[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000004679993 181135965 /nfs/dbraw/zinc/13/59/65/181135965.db2.gz BKHWMKPSGUKEPI-UHFFFAOYSA-N 1 0 304.350 1.903 50 5 DDBARO COc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000058393286 184112395 /nfs/dbraw/zinc/11/23/95/184112395.db2.gz DZMVGTGRLIJGLU-CHWSQXEVSA-N 1 0 319.361 1.960 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000097229195 407288444 /nfs/dbraw/zinc/28/84/44/407288444.db2.gz RLDLGTVNRXNHHY-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@@H](O)CC=C[C@@]31CC[N+](C)(C)C2 ZINC000229833828 277999242 /nfs/dbraw/zinc/99/92/42/277999242.db2.gz DOUIWWHBJPGSBE-MORSLUCNSA-N 1 0 302.394 1.995 50 5 DDBARO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000377358926 302172192 /nfs/dbraw/zinc/17/21/92/302172192.db2.gz QFQIRCFNWKEDPP-WLLOZRIZSA-N 1 0 311.363 1.238 50 5 DDBARO Cc1nn(CCC(=O)NCC[N@H+]2CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000097009303 185396823 /nfs/dbraw/zinc/39/68/23/185396823.db2.gz HJPUGRIRHDNZHD-LLVKDONJSA-N 1 0 323.397 1.399 50 5 DDBARO Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000074750771 353328523 /nfs/dbraw/zinc/32/85/23/353328523.db2.gz JVSRBNDTMSYFTE-CQSZACIVSA-N 1 0 320.393 1.847 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)nc1 ZINC000048301258 183640758 /nfs/dbraw/zinc/64/07/58/183640758.db2.gz NIVMVRMPASJWCZ-JSGCOSHPSA-N 1 0 306.366 1.903 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000026711481 406905703 /nfs/dbraw/zinc/90/57/03/406905703.db2.gz YLNLAQGNNSAXFK-GXTWGEPZSA-N 1 0 310.350 1.039 50 5 DDBARO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000225479119 407589887 /nfs/dbraw/zinc/58/98/87/407589887.db2.gz YNHPJTFAAWEPAZ-GFCCVEGCSA-N 1 0 313.379 1.173 50 5 DDBARO Cc1c(CN2CCC([N@H+](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000186674034 407738692 /nfs/dbraw/zinc/73/86/92/407738692.db2.gz LCWSTWFKIQLEFE-UHFFFAOYSA-N 1 0 321.377 1.884 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c2ccncc21 ZINC000025747313 275036175 /nfs/dbraw/zinc/03/61/75/275036175.db2.gz KSVPWRRBWIIPLQ-UHFFFAOYSA-N 1 0 302.334 1.257 50 5 DDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110792554 194359061 /nfs/dbraw/zinc/35/90/61/194359061.db2.gz DOJVHBVUQRGAGC-NSHDSACASA-N 1 0 313.379 1.263 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2CO)c1 ZINC000013149762 181834326 /nfs/dbraw/zinc/83/43/26/181834326.db2.gz RZQYBCXNCIZORR-UONOGXRCSA-N 1 0 310.350 1.181 50 5 DDBARO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000069627359 406746733 /nfs/dbraw/zinc/74/67/33/406746733.db2.gz LPRPRHCCVFIJEA-CQSZACIVSA-N 1 0 319.409 1.596 50 5 DDBARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000069483722 406720370 /nfs/dbraw/zinc/72/03/70/406720370.db2.gz NFCNLJRXLZYXMB-CYBMUJFWSA-N 1 0 321.377 1.601 50 5 DDBARO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000222143260 407554251 /nfs/dbraw/zinc/55/42/51/407554251.db2.gz WNXMLJCDDZFPBD-DMTLFAOVSA-N 1 0 301.346 1.961 50 5 DDBARO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000585092294 483920196 /nfs/dbraw/zinc/92/01/96/483920196.db2.gz NYQIZHZEEMRKSH-GFCCVEGCSA-N 1 0 306.366 1.679 50 5 DDBARO COCCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000004839229 181160191 /nfs/dbraw/zinc/16/01/91/181160191.db2.gz ABMRIVJIZPUBBJ-UHFFFAOYSA-N 1 0 322.365 1.089 50 5 DDBARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004959806 181179651 /nfs/dbraw/zinc/17/96/51/181179651.db2.gz XZGQKHHJWOMPKA-UHFFFAOYSA-N 1 0 320.334 1.280 50 5 DDBARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069394490 184512114 /nfs/dbraw/zinc/51/21/14/184512114.db2.gz QIXMQCFDKOZNOH-CQSZACIVSA-N 1 0 322.365 1.827 50 5 DDBARO C[C@]([NH3+])(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000069809672 406773500 /nfs/dbraw/zinc/77/35/00/406773500.db2.gz RCYNENCWGOOGRG-ZDUSSCGKSA-N 1 0 313.379 1.538 50 5 DDBARO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCn1ccnc1)OCO2 ZINC000008706497 406792326 /nfs/dbraw/zinc/79/23/26/406792326.db2.gz BQYBSVCGODFCGV-UHFFFAOYSA-N 1 0 304.306 1.700 50 5 DDBARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000012780803 406852270 /nfs/dbraw/zinc/85/22/70/406852270.db2.gz DTAPIMZDKHEYQP-HNNXBMFYSA-N 1 0 321.377 1.681 50 5 DDBARO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000044944622 407035011 /nfs/dbraw/zinc/03/50/11/407035011.db2.gz RSBHRWKJOFLEJO-NSHDSACASA-N 1 0 319.361 1.695 50 5 DDBARO Cn1ccnc1C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000090004090 407164462 /nfs/dbraw/zinc/16/44/62/407164462.db2.gz PECAJJZWNGKCNN-ZDUSSCGKSA-N 1 0 318.381 1.480 50 5 DDBARO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605263 407669278 /nfs/dbraw/zinc/66/92/78/407669278.db2.gz RKPMLZZMCSNULH-GJZGRUSLSA-N 1 0 319.361 1.717 50 5 DDBARO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000095435711 185364871 /nfs/dbraw/zinc/36/48/71/185364871.db2.gz YDSAISZVGIPCJN-CYBMUJFWSA-N 1 0 313.379 1.108 50 5 DDBARO CC[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000004990242 181185858 /nfs/dbraw/zinc/18/58/58/181185858.db2.gz SXVANKZQAUVDKG-UHFFFAOYSA-N 1 0 309.366 1.750 50 5 DDBARO O=[N+]([O-])c1cccc(OCCN2CCOC[C@]23CCOC3)c1 ZINC000193722719 201111935 /nfs/dbraw/zinc/11/19/35/201111935.db2.gz IPFSIKNUABGYGP-OAHLLOKOSA-N 1 0 308.334 1.465 50 5 DDBARO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071886533 406862952 /nfs/dbraw/zinc/86/29/52/406862952.db2.gz PZGUGNBHXNCFAQ-LBPRGKRZSA-N 1 0 307.350 1.354 50 5 DDBARO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000225479152 407590593 /nfs/dbraw/zinc/59/05/93/407590593.db2.gz YNHPJTFAAWEPAZ-LBPRGKRZSA-N 1 0 313.379 1.173 50 5 DDBARO C[C@H](CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000252517299 408803839 /nfs/dbraw/zinc/80/38/39/408803839.db2.gz FBSIAVSNYBLIEM-BYCMXARLSA-N 1 0 303.362 1.215 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@]31CC[N+](C)(C)C2 ZINC000000487787 352108976 /nfs/dbraw/zinc/10/89/76/352108976.db2.gz DOUIWWHBJPGSBE-XWIAVFTESA-N 1 0 302.394 1.995 50 5 DDBARO Cc1cc(=O)n(CCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000188325740 200228562 /nfs/dbraw/zinc/22/85/62/200228562.db2.gz KLNHDAYGORRTBF-UHFFFAOYSA-N 1 0 322.409 1.481 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2 ZINC000000487786 277999176 /nfs/dbraw/zinc/99/91/76/277999176.db2.gz DOUIWWHBJPGSBE-FSPWUOQZSA-N 1 0 302.394 1.995 50 5 DDBARO C[N+]1(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000016975564 280177853 /nfs/dbraw/zinc/17/78/53/280177853.db2.gz ARSJZTIZCMBRDU-LESVLKBLSA-N 1 0 310.458 1.810 50 5 DDBARO C[NH+]1CCC(O)(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000072293810 406879732 /nfs/dbraw/zinc/87/97/32/406879732.db2.gz DWKOEICAJHMOMN-UHFFFAOYSA-N 1 0 300.746 1.512 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000026711477 406906188 /nfs/dbraw/zinc/90/61/88/406906188.db2.gz YLNLAQGNNSAXFK-TZMCWYRMSA-N 1 0 310.350 1.039 50 5 DDBARO Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000048286879 407094065 /nfs/dbraw/zinc/09/40/65/407094065.db2.gz PIRXIDIPHGLQLJ-UHFFFAOYSA-N 1 0 321.377 1.745 50 5 DDBARO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000065622097 407245075 /nfs/dbraw/zinc/24/50/75/407245075.db2.gz GCGDVAPSWLWFCZ-ZDUSSCGKSA-N 1 0 321.377 1.744 50 5 DDBARO CCC[NH+]1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000032906207 276013118 /nfs/dbraw/zinc/01/31/18/276013118.db2.gz HNBSZFMYPHFSGP-UHFFFAOYSA-N 1 0 317.349 1.135 50 5 DDBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CO ZINC000844258315 703001818 /nfs/dbraw/zinc/00/18/18/703001818.db2.gz ZQXUZQQFLSBTNB-UHFFFAOYSA-N 1 0 311.338 1.293 50 5 DDBARO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000095407758 185356405 /nfs/dbraw/zinc/35/64/05/185356405.db2.gz DHNOZLOGJPSUBB-LLVKDONJSA-N 1 0 306.366 1.980 50 5 DDBARO C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C ZINC000585142394 354815465 /nfs/dbraw/zinc/81/54/65/354815465.db2.gz WATQHRGJQWPYNU-QWRGUYRKSA-N 1 0 307.354 1.229 50 5 DDBARO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006435767 181340895 /nfs/dbraw/zinc/34/08/95/181340895.db2.gz JXHCBKXMCLKRFZ-UHFFFAOYSA-N 1 0 301.368 1.215 50 5 DDBARO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203690 406621883 /nfs/dbraw/zinc/62/18/83/406621883.db2.gz UDZKGOLTPJIMJU-UONOGXRCSA-N 1 0 318.377 1.750 50 5 DDBARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069413793 406704651 /nfs/dbraw/zinc/70/46/51/406704651.db2.gz APGICYBANSHEPF-LLVKDONJSA-N 1 0 317.349 1.685 50 5 DDBARO COc1ccc(NC(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000032895370 406955381 /nfs/dbraw/zinc/95/53/81/406955381.db2.gz XQDRWBZGBNYQLL-UHFFFAOYSA-N 1 0 308.338 1.773 50 5 DDBARO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCO2 ZINC000095984381 407220917 /nfs/dbraw/zinc/22/09/17/407220917.db2.gz MAXOKTYICDKUOG-SNVBAGLBSA-N 1 0 304.306 1.871 50 5 DDBARO CCC[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000097235071 407289706 /nfs/dbraw/zinc/28/97/06/407289706.db2.gz CJVRDCDSJCIDIK-UHFFFAOYSA-N 1 0 306.366 1.735 50 5 DDBARO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000170687417 407474094 /nfs/dbraw/zinc/47/40/94/407474094.db2.gz GRGRXZWVXMPVHK-UHFFFAOYSA-N 1 0 308.382 1.930 50 5 DDBARO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000221882456 407551123 /nfs/dbraw/zinc/55/11/23/407551123.db2.gz DNNGPTGDVPUIIW-FZMZJTMJSA-N 1 0 319.361 1.857 50 5 DDBARO Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069369872 295350549 /nfs/dbraw/zinc/35/05/49/295350549.db2.gz SJTPHCLACZVKLU-CYBMUJFWSA-N 1 0 318.377 1.877 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095431206 185363102 /nfs/dbraw/zinc/36/31/02/185363102.db2.gz WLRZKFITWSLWRD-UHFFFAOYSA-N 1 0 301.368 1.391 50 5 DDBARO CN(c1ncc([N+](=O)[O-])c(NC2CC2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000076023494 353391560 /nfs/dbraw/zinc/39/15/60/353391560.db2.gz UHIRDIRDYFHAPX-LLVKDONJSA-N 1 0 306.370 1.490 50 5 DDBARO C[NH+](C)CCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477749 184039761 /nfs/dbraw/zinc/03/97/61/184039761.db2.gz XSQWSKDHFFXTRU-UHFFFAOYSA-N 1 0 324.384 1.529 50 5 DDBARO C[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004007916 406719495 /nfs/dbraw/zinc/71/94/95/406719495.db2.gz RLINILWAXFKMDS-UHFFFAOYSA-N 1 0 304.394 1.811 50 5 DDBARO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000420463391 420302879 /nfs/dbraw/zinc/30/28/79/420302879.db2.gz IQWYDYIUWWZIIC-GHMZBOCLSA-N 1 0 313.379 1.391 50 5 DDBARO O=C(C[C@H]1CSCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC000170050189 545647829 /nfs/dbraw/zinc/64/78/29/545647829.db2.gz UNQHRINRCBSWFA-LBPRGKRZSA-N 1 0 307.375 1.532 50 5 DDBARO Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000080606816 192171085 /nfs/dbraw/zinc/17/10/85/192171085.db2.gz LMZUBXGKQMSZCZ-UHFFFAOYSA-N 1 0 320.393 1.989 50 5 DDBARO CN1C=CC(C(=O)NCCC[N+]2(C)CCCC2)=C/C1=C/N=O ZINC000334159194 257261749 /nfs/dbraw/zinc/26/17/49/257261749.db2.gz RUWCDRRZEWZMMR-SQFISAMPSA-O 1 0 305.402 1.726 50 5 DDBARO CNC(=O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069510018 406726361 /nfs/dbraw/zinc/72/63/61/406726361.db2.gz YAFTURCQSDFKQQ-AWEZNQCLSA-N 1 0 307.350 1.574 50 5 DDBARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000170613469 407455004 /nfs/dbraw/zinc/45/50/04/407455004.db2.gz GERCMQIEIBWJAL-VXGBXAGGSA-N 1 0 322.365 1.514 50 5 DDBARO C[C@@]1(C[NH3+])CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262053128 407726791 /nfs/dbraw/zinc/72/67/91/407726791.db2.gz RCUAONAERRYZPI-AWEZNQCLSA-N 1 0 303.322 1.282 50 5 DDBARO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000083864252 483984037 /nfs/dbraw/zinc/98/40/37/483984037.db2.gz QYUHXBARVAKERK-OAHLLOKOSA-N 1 0 317.345 1.249 50 5 DDBARO COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O ZINC000001532786 180871687 /nfs/dbraw/zinc/87/16/87/180871687.db2.gz HUJXHFRXWWGYQH-UHFFFAOYSA-O 1 0 310.370 1.672 50 5 endogenous,in-man DDBARO O=[N+]([O-])c1cccc(-n2nnnc2C[NH2+]C2CCCCC2)c1 ZINC000004907300 181171359 /nfs/dbraw/zinc/17/13/59/181171359.db2.gz KYYKRNAIMBQGQO-UHFFFAOYSA-N 1 0 302.338 1.993 50 5 DDBARO CC1(C)CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000002781388 406702403 /nfs/dbraw/zinc/70/24/03/406702403.db2.gz NPLRBSVYVLHMIP-UHFFFAOYSA-N 1 0 323.397 1.607 50 5 DDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000069483721 406720463 /nfs/dbraw/zinc/72/04/63/406720463.db2.gz NFCNLJRXLZYXMB-ZDUSSCGKSA-N 1 0 321.377 1.601 50 5 DDBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175830812 408216950 /nfs/dbraw/zinc/21/69/50/408216950.db2.gz VCDDMMOROGKSIJ-UHFFFAOYSA-N 1 0 319.361 1.532 50 5 DDBARO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287010 277302842 /nfs/dbraw/zinc/30/28/42/277302842.db2.gz YWRWDGPMZJUEIH-ZIAGYGMSSA-N 1 0 318.377 1.993 50 5 DDBARO CC(C)(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095432020 185363387 /nfs/dbraw/zinc/36/33/87/185363387.db2.gz XNRIHCPMABTYKK-UHFFFAOYSA-N 1 0 307.759 1.264 50 5 DDBARO O=S(=O)(c1ccc(F)c(F)c1)N1CC[N+]2(CCCC2)CC1 ZINC000006587456 181358100 /nfs/dbraw/zinc/35/81/00/181358100.db2.gz OMFSUBQUDKFPSY-UHFFFAOYSA-N 1 0 317.381 1.580 50 5 DDBARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000040597135 183107497 /nfs/dbraw/zinc/10/74/97/183107497.db2.gz ZXFWAUNQJKRUCQ-NSHDSACASA-N 1 0 313.379 1.215 50 5 DDBARO CN1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004192058 406723351 /nfs/dbraw/zinc/72/33/51/406723351.db2.gz WHTWYXUMPPJYRP-UHFFFAOYSA-N 1 0 324.356 1.322 50 5 DDBARO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155965964 408231451 /nfs/dbraw/zinc/23/14/51/408231451.db2.gz RWQIAHLJICULPZ-GFCCVEGCSA-N 1 0 301.368 1.247 50 5 DDBARO C[C@@H]([NH2+]C[C@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968509 287039846 /nfs/dbraw/zinc/03/98/46/287039846.db2.gz IBHQSIZREZGRMY-CJNGLKHVSA-N 1 0 323.393 1.329 50 5 DDBARO C[NH+]1CCN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004134251 181077073 /nfs/dbraw/zinc/07/70/73/181077073.db2.gz UIDHNUDMQLELJC-UHFFFAOYSA-N 1 0 321.381 1.354 50 5 DDBARO CC[N+](C)(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000005799749 181285076 /nfs/dbraw/zinc/28/50/76/181285076.db2.gz CLZLUJPUIIPLEQ-UHFFFAOYSA-O 1 0 322.429 1.176 50 5 DDBARO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000110792635 194359124 /nfs/dbraw/zinc/35/91/24/194359124.db2.gz GHNSRTFXRVJIEA-NSHDSACASA-N 1 0 313.379 1.263 50 5 DDBARO C[NH+](C)CCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477743 184039867 /nfs/dbraw/zinc/03/98/67/184039867.db2.gz SYOZPRNZAKRLKN-UHFFFAOYSA-N 1 0 310.357 1.139 50 5 DDBARO Cc1ccoc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000075092324 406921891 /nfs/dbraw/zinc/92/18/91/406921891.db2.gz LPQYQBYKSPSSJT-UKRRQHHQSA-N 1 0 306.318 1.680 50 5 DDBARO C[N@H+](CCOc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 ZINC000075147471 406924482 /nfs/dbraw/zinc/92/44/82/406924482.db2.gz FMMLNMCGPJFYKC-UHFFFAOYSA-N 1 0 308.313 1.941 50 5 DDBARO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000097229425 295264194 /nfs/dbraw/zinc/26/41/94/295264194.db2.gz PWRXCQIDMVLOHI-VIFPVBQESA-N 1 0 319.770 1.264 50 5 DDBARO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000222083822 539265452 /nfs/dbraw/zinc/26/54/52/539265452.db2.gz OGVCAEKPJCWQJN-WCBMZHEXSA-N 1 0 308.260 1.179 50 5 DDBARO Nc1nc(-n2cccn2)cc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000092892343 185348405 /nfs/dbraw/zinc/34/84/05/185348405.db2.gz XWXHTUNYQMHYMK-UHFFFAOYSA-N 1 0 311.305 1.765 50 5 DDBARO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000002780266 180956125 /nfs/dbraw/zinc/95/61/25/180956125.db2.gz MNAYNQQMRILHHG-UHFFFAOYSA-N 1 0 309.370 1.367 50 5 DDBARO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000237679975 202327002 /nfs/dbraw/zinc/32/70/02/202327002.db2.gz ZOXANLLPUJPJOL-UHFFFAOYSA-N 1 0 321.377 1.873 50 5 DDBARO COc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c(C)cc1[N+](=O)[O-] ZINC000006607886 181360895 /nfs/dbraw/zinc/36/08/95/181360895.db2.gz FIKPTRKXHLZXEN-NSHDSACASA-N 1 0 323.349 1.619 50 5 DDBARO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647993 194345407 /nfs/dbraw/zinc/34/54/07/194345407.db2.gz ZHBPRMILMBWXSN-JTQLQIEISA-N 1 0 313.379 1.343 50 5 DDBARO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000020167431 406886819 /nfs/dbraw/zinc/88/68/19/406886819.db2.gz IQDVUVFPLGHUQY-UHFFFAOYSA-N 1 0 318.377 1.583 50 5 DDBARO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096455416 407269246 /nfs/dbraw/zinc/26/92/46/407269246.db2.gz IXGSBIPDALYOLX-CYBMUJFWSA-N 1 0 323.368 1.888 50 5 DDBARO C[C@H](O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004045605 181067021 /nfs/dbraw/zinc/06/70/21/181067021.db2.gz LCSZNGOSLIAKNJ-QMMMGPOBSA-N 1 0 307.272 1.996 50 5 DDBARO COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)c(OC)cc1O ZINC000095933318 407215264 /nfs/dbraw/zinc/21/52/64/407215264.db2.gz RTKRVOHOLOYYHW-UHFFFAOYSA-O 1 0 310.370 1.672 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000096429718 407265095 /nfs/dbraw/zinc/26/50/95/407265095.db2.gz CYSMWUBMVYTWKS-LBPRGKRZSA-N 1 0 309.341 1.892 50 5 DDBARO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000170091485 408820188 /nfs/dbraw/zinc/82/01/88/408820188.db2.gz VZMDAAIYQAIUBQ-UHFFFAOYSA-N 1 0 311.363 1.143 50 5 DDBARO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000585090474 483919216 /nfs/dbraw/zinc/91/92/16/483919216.db2.gz RHEGTYGGRVYQRT-UHFFFAOYSA-N 1 0 307.354 1.011 50 5 DDBARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000083864251 483983918 /nfs/dbraw/zinc/98/39/18/483983918.db2.gz QYUHXBARVAKERK-HNNXBMFYSA-N 1 0 317.345 1.249 50 5 DDBARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000003636089 181042836 /nfs/dbraw/zinc/04/28/36/181042836.db2.gz DVRHYBYPKBFJKY-GFCCVEGCSA-N 1 0 307.350 1.818 50 5 DDBARO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C ZINC000585142392 354815452 /nfs/dbraw/zinc/81/54/52/354815452.db2.gz WATQHRGJQWPYNU-GHMZBOCLSA-N 1 0 307.354 1.229 50 5 DDBARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000106526864 194225089 /nfs/dbraw/zinc/22/50/89/194225089.db2.gz RMIWYKZKMKGBCS-JKSUJKDBSA-N 1 0 317.389 1.695 50 5 DDBARO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203688 406623410 /nfs/dbraw/zinc/62/34/10/406623410.db2.gz UDZKGOLTPJIMJU-ZIAGYGMSSA-N 1 0 318.377 1.750 50 5 DDBARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000000346435 406643039 /nfs/dbraw/zinc/64/30/39/406643039.db2.gz BQVYUQIDNMOXRH-LLVKDONJSA-N 1 0 307.350 1.818 50 5 DDBARO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000069593822 406739518 /nfs/dbraw/zinc/73/95/18/406739518.db2.gz RTGRCDKXSUBQHM-AWEZNQCLSA-N 1 0 321.377 1.916 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091929 407123357 /nfs/dbraw/zinc/12/33/57/407123357.db2.gz HCBCNWPHRFGPJB-ZYHUDNBSSA-N 1 0 313.379 1.309 50 5 DDBARO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000097212793 407288525 /nfs/dbraw/zinc/28/85/25/407288525.db2.gz OGVCAEKPJCWQJN-WPRPVWTQSA-N 1 0 308.260 1.179 50 5 DDBARO C[N@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccc(F)cc1 ZINC000170652392 407465979 /nfs/dbraw/zinc/46/59/79/407465979.db2.gz LGMPUPJENWXUAO-UHFFFAOYSA-N 1 0 320.328 1.650 50 5 DDBARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003371449 181012259 /nfs/dbraw/zinc/01/22/59/181012259.db2.gz NGRKIBYTJYKNHK-GFCCVEGCSA-N 1 0 313.379 1.357 50 5 DDBARO COc1cc(C(=O)NCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000002253163 406683949 /nfs/dbraw/zinc/68/39/49/406683949.db2.gz JMPLNUGVZZSJKU-UHFFFAOYSA-N 1 0 311.338 1.294 50 5 DDBARO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063213049 407232331 /nfs/dbraw/zinc/23/23/31/407232331.db2.gz SDAPRFSUHYCICA-CHWSQXEVSA-N 1 0 313.379 1.533 50 5 DDBARO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000225477892 407591226 /nfs/dbraw/zinc/59/12/26/407591226.db2.gz OFBYWHPGINMDFD-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000095466163 185371917 /nfs/dbraw/zinc/37/19/17/185371917.db2.gz BPPMEPUCCMZZBC-UKRRQHHQSA-N 1 0 303.362 1.690 50 5 DDBARO CN1CC[NH+](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000004746337 181146859 /nfs/dbraw/zinc/14/68/59/181146859.db2.gz HKCMXEYMCSZKNH-UHFFFAOYSA-N 1 0 318.421 1.807 50 5 DDBARO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C)C ZINC000004993682 181186590 /nfs/dbraw/zinc/18/65/90/181186590.db2.gz PZIRINMDHMBHDX-UHFFFAOYSA-N 1 0 301.368 1.133 50 5 DDBARO Cn1c2ccccc2c(NCCC[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000004501581 181115885 /nfs/dbraw/zinc/11/58/85/181115885.db2.gz ATVAHGZEIIHVQC-UHFFFAOYSA-N 1 0 304.350 1.810 50 5 DDBARO CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[NH+](C)C)o1 ZINC000001530729 406672916 /nfs/dbraw/zinc/67/29/16/406672916.db2.gz VMXUWOKSQNHOCA-LCYFTJDESA-N 1 0 314.411 1.459 50 5 in-man DDBARO C[NH+](C)C[C@@H](O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000069774547 406772493 /nfs/dbraw/zinc/77/24/93/406772493.db2.gz ANORGAVHGKDSIK-GFCCVEGCSA-N 1 0 323.328 1.597 50 5 DDBARO NC(=O)c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000044944626 407035141 /nfs/dbraw/zinc/03/51/41/407035141.db2.gz RSBHRWKJOFLEJO-LLVKDONJSA-N 1 0 319.361 1.695 50 5 DDBARO CCn1ncc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002781291 406698652 /nfs/dbraw/zinc/69/86/52/406698652.db2.gz GVVOUXYSOXTIBB-UHFFFAOYSA-N 1 0 323.397 1.850 50 5 DDBARO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000069531546 406732439 /nfs/dbraw/zinc/73/24/39/406732439.db2.gz AWWCXSDCBSFACO-LBPRGKRZSA-N 1 0 322.365 1.018 50 5 DDBARO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000142007058 408180639 /nfs/dbraw/zinc/18/06/39/408180639.db2.gz JCWPKBPRODWUKF-CYBMUJFWSA-N 1 0 313.379 1.213 50 5 DDBARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000003636085 181042790 /nfs/dbraw/zinc/04/27/90/181042790.db2.gz DVRHYBYPKBFJKY-LBPRGKRZSA-N 1 0 307.350 1.818 50 5 DDBARO C[C@@H](O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004045607 181066529 /nfs/dbraw/zinc/06/65/29/181066529.db2.gz LCSZNGOSLIAKNJ-MRVPVSSYSA-N 1 0 307.272 1.996 50 5 DDBARO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000069627360 406746315 /nfs/dbraw/zinc/74/63/15/406746315.db2.gz LPRPRHCCVFIJEA-AWEZNQCLSA-N 1 0 319.409 1.596 50 5 DDBARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000069464401 406717789 /nfs/dbraw/zinc/71/77/89/406717789.db2.gz RDAVTFGVBFNLSK-CYBMUJFWSA-N 1 0 321.377 1.744 50 5 DDBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000070039585 406807380 /nfs/dbraw/zinc/80/73/80/406807380.db2.gz SNAQHXUZKQFKST-VRKREXBASA-N 1 0 315.373 1.795 50 5 DDBARO CNc1ccc(C[NH2+]CCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000089396013 407133772 /nfs/dbraw/zinc/13/37/72/407133772.db2.gz BKLASCGQDQVRDA-UHFFFAOYSA-N 1 0 306.366 1.739 50 5 DDBARO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000420463395 420303027 /nfs/dbraw/zinc/30/30/27/420303027.db2.gz IQWYDYIUWWZIIC-MNOVXSKESA-N 1 0 313.379 1.391 50 5 DDBARO CO[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000195557580 277339344 /nfs/dbraw/zinc/33/93/44/277339344.db2.gz CPPRCOJDIZYHLY-KGLIPLIRSA-N 1 0 307.350 1.482 50 5 DDBARO CO[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000195557582 277653562 /nfs/dbraw/zinc/65/35/62/277653562.db2.gz CPPRCOJDIZYHLY-UONOGXRCSA-N 1 0 307.350 1.482 50 5 DDBARO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000093433764 193250248 /nfs/dbraw/zinc/25/02/48/193250248.db2.gz QWNMMIFBKOMIMU-OCAPTIKFSA-N 1 0 315.171 1.939 50 5 DDBARO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000075110060 406921711 /nfs/dbraw/zinc/92/17/11/406921711.db2.gz NTDOQKNLDRTRMK-GHMZBOCLSA-N 1 0 324.385 1.268 50 5 DDBARO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089365321 407131770 /nfs/dbraw/zinc/13/17/70/407131770.db2.gz PECXWRJBLLSZGI-GFCCVEGCSA-N 1 0 322.365 1.461 50 5 DDBARO O=[N+]([O-])c1ccn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000195545783 407464553 /nfs/dbraw/zinc/46/45/53/407464553.db2.gz FAABKKJDOVHSCJ-CQSZACIVSA-N 1 0 302.334 1.211 50 5 DDBARO Cn1c(CN2CCc3ncc([N+](=O)[O-])cc3C2)nnc1C1CC1 ZINC000097234972 337382470 /nfs/dbraw/zinc/38/24/70/337382470.db2.gz PQGXWORUEMWRAI-UHFFFAOYSA-N 1 0 314.349 1.554 50 5 DDBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCC1 ZINC000952877365 775628463 /nfs/dbraw/zinc/62/84/63/775628463.db2.gz OWWFINPXRMEFNF-UHFFFAOYSA-N 1 0 323.349 1.437 50 5 DDBARO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000095466030 283078911 /nfs/dbraw/zinc/07/89/11/283078911.db2.gz DSLQAEIOWRGEBH-QMTHXVAHSA-N 1 0 304.350 1.224 50 5 DDBARO C[NH+]1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042543756 183283495 /nfs/dbraw/zinc/28/34/95/183283495.db2.gz USSNHBHEUIGJEG-UHFFFAOYSA-N 1 0 320.393 1.351 50 5 DDBARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000068280765 406629427 /nfs/dbraw/zinc/62/94/27/406629427.db2.gz FWVAXAZVIMLHEN-HUUCEWRRSA-N 1 0 309.410 1.813 50 5 DDBARO CCC[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095972669 407219658 /nfs/dbraw/zinc/21/96/58/407219658.db2.gz LZVQDMUDVRBFBK-QMMMGPOBSA-N 1 0 321.786 1.654 50 5 DDBARO Cc1ncsc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324910 484003039 /nfs/dbraw/zinc/00/30/39/484003039.db2.gz XVEQBJGQKAZZSH-JSGCOSHPSA-N 1 0 323.374 1.544 50 5 DDBARO CN1C=C(C(=O)NCC[N+]2(C)CCCCC2)C=C/C1=C\N=O ZINC000135772805 354116318 /nfs/dbraw/zinc/11/63/18/354116318.db2.gz BSJNNZPAMBTIOM-NTCAYCPXSA-O 1 0 305.402 1.726 50 5 DDBARO Nc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000069779823 406771376 /nfs/dbraw/zinc/77/13/76/406771376.db2.gz HMCXNEGSRIAQHK-ZDUSSCGKSA-N 1 0 318.377 1.877 50 5 DDBARO [NH3+][C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170091508 408820169 /nfs/dbraw/zinc/82/01/69/408820169.db2.gz ACHOBVRRQFQBAF-GXFFZTMASA-N 1 0 313.379 1.391 50 5 DDBARO COc1cc(CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000004978303 181183128 /nfs/dbraw/zinc/18/31/28/181183128.db2.gz HWUBDYLSBCBIEV-UHFFFAOYSA-N 1 0 309.366 1.750 50 5 DDBARO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420462900 283632435 /nfs/dbraw/zinc/63/24/35/283632435.db2.gz IJCLEBICXAIRFR-QWRGUYRKSA-N 1 0 313.379 1.391 50 5 DDBARO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000065491333 184353881 /nfs/dbraw/zinc/35/38/81/184353881.db2.gz IKRVZCJCVFNPDY-SNVBAGLBSA-N 1 0 313.379 1.356 50 5 DDBARO Cc1c([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)nn1C ZINC000002780863 406698260 /nfs/dbraw/zinc/69/82/60/406698260.db2.gz SFVIRQBVFLSHJS-UHFFFAOYSA-N 1 0 309.370 1.239 50 5 DDBARO Cc1nn(CCC(=O)NCC[N@H+]2CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000097009299 185396582 /nfs/dbraw/zinc/39/65/82/185396582.db2.gz HJPUGRIRHDNZHD-NSHDSACASA-N 1 0 323.397 1.399 50 5 DDBARO C[C@@]([NH3+])(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000069809671 190821288 /nfs/dbraw/zinc/82/12/88/190821288.db2.gz RCYNENCWGOOGRG-CYBMUJFWSA-N 1 0 313.379 1.538 50 5 DDBARO Cc1nonc1O[C@H](C)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000004168260 181081275 /nfs/dbraw/zinc/08/12/75/181081275.db2.gz YABNBMMQOMXIHB-SNVBAGLBSA-N 1 0 321.337 1.755 50 5 DDBARO Cc1c(CC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000155176340 197029478 /nfs/dbraw/zinc/02/94/78/197029478.db2.gz NNIXREODFAJZMK-VXGBXAGGSA-N 1 0 305.378 1.997 50 5 DDBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000026227996 406903383 /nfs/dbraw/zinc/90/33/83/406903383.db2.gz GSBXZWDXROBYHF-UHFFFAOYSA-N 1 0 307.350 1.689 50 5 DDBARO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000096483359 407271744 /nfs/dbraw/zinc/27/17/44/407271744.db2.gz AVUMKJNKELKDQV-NSHDSACASA-N 1 0 315.395 1.555 50 5 DDBARO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000225405916 407579466 /nfs/dbraw/zinc/57/94/66/407579466.db2.gz GERCMQIEIBWJAL-NEPJUHHUSA-N 1 0 322.365 1.514 50 5 DDBARO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC[NH2+]1 ZINC000004551514 274594430 /nfs/dbraw/zinc/59/44/30/274594430.db2.gz KXFXSEAONYTOJI-LBPRGKRZSA-N 1 0 306.366 1.230 50 5 DDBARO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000698119314 743673376 /nfs/dbraw/zinc/67/33/76/743673376.db2.gz JPWVOQMKAZFHSN-UHFFFAOYSA-N 1 0 301.368 1.392 50 5 DDBARO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000225627616 186284568 /nfs/dbraw/zinc/28/45/68/186284568.db2.gz UZWGFQVZQATSBH-HNNXBMFYSA-N 1 0 316.361 1.501 50 5 DDBARO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000010450154 181670924 /nfs/dbraw/zinc/67/09/24/181670924.db2.gz ZEFURHWIMQRQIV-UHFFFAOYSA-N 1 0 313.379 1.359 50 5 DDBARO O=C1NCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052216197 407149169 /nfs/dbraw/zinc/14/91/69/407149169.db2.gz BKWJZVKWLKRTTF-UHFFFAOYSA-N 1 0 304.350 1.584 50 5 DDBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CC1 ZINC000952876974 775626903 /nfs/dbraw/zinc/62/69/03/775626903.db2.gz JPOHHEMICBHFPR-UHFFFAOYSA-N 1 0 309.322 1.047 50 5 DDBARO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])cc1C ZINC000006607647 181360856 /nfs/dbraw/zinc/36/08/56/181360856.db2.gz JHHDVVIISOFDPE-LBPRGKRZSA-N 1 0 307.350 1.919 50 5 DDBARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058424389 184116200 /nfs/dbraw/zinc/11/62/00/184116200.db2.gz QGBNUGCTZIMADX-HIFRSBDPSA-N 1 0 321.352 1.572 50 5 DDBARO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000069593824 406739456 /nfs/dbraw/zinc/73/94/56/406739456.db2.gz RTGRCDKXSUBQHM-CQSZACIVSA-N 1 0 321.377 1.916 50 5 DDBARO [NH3+]C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000036266619 406977733 /nfs/dbraw/zinc/97/77/33/406977733.db2.gz HVWGKZIBBOHWSX-UHFFFAOYSA-N 1 0 313.379 1.535 50 5 DDBARO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000253418705 407446678 /nfs/dbraw/zinc/44/66/78/407446678.db2.gz VPAPTCDIMFBNSN-JTQLQIEISA-N 1 0 307.354 1.176 50 5 DDBARO CN(C)C(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000408518330 418807039 /nfs/dbraw/zinc/80/70/39/418807039.db2.gz AWOPDIFEYCIYMK-UHFFFAOYSA-N 1 0 320.393 1.807 50 5 DDBARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000040597138 183107039 /nfs/dbraw/zinc/10/70/39/183107039.db2.gz ZXFWAUNQJKRUCQ-LLVKDONJSA-N 1 0 313.379 1.215 50 5 DDBARO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040740939 183127223 /nfs/dbraw/zinc/12/72/23/183127223.db2.gz NKTWHAPHEMRABP-ZACCUICWSA-N 1 0 311.363 1.156 50 5 DDBARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000065622098 184374942 /nfs/dbraw/zinc/37/49/42/184374942.db2.gz GCGDVAPSWLWFCZ-CYBMUJFWSA-N 1 0 321.377 1.744 50 5 DDBARO COc1ccc2c3c1O[C@H]1[C@@H](O)CC=C[C@]31CC[N+](C)(C)C2 ZINC000004038899 406719472 /nfs/dbraw/zinc/71/94/72/406719472.db2.gz DOUIWWHBJPGSBE-KKXDTOCCSA-N 1 0 302.394 1.995 50 5 biogenic DDBARO [NH3+][C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000097019580 303487989 /nfs/dbraw/zinc/48/79/89/303487989.db2.gz HHPHUQFPWWQDIN-ZDUSSCGKSA-N 1 0 321.380 1.714 50 5 DDBARO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095394515 185352444 /nfs/dbraw/zinc/35/24/44/185352444.db2.gz AAGGTKVLIPSCCN-UHFFFAOYSA-N 1 0 301.368 1.391 50 5 DDBARO CC[NH+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004134245 181077049 /nfs/dbraw/zinc/07/70/49/181077049.db2.gz GUHDXDYYMJJFSK-UHFFFAOYSA-N 1 0 321.381 1.354 50 5 DDBARO CC[NH+](CC)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002871105 406704882 /nfs/dbraw/zinc/70/48/82/406704882.db2.gz ALWFWSVOTHVZAM-UHFFFAOYSA-N 1 0 315.395 1.605 50 5 DDBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000248086792 408533946 /nfs/dbraw/zinc/53/39/46/408533946.db2.gz SNAQHXUZKQFKST-DARAHFNDSA-N 1 0 315.373 1.795 50 5 DDBARO O=C(C[C@@H]1CSCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC000170050187 545647876 /nfs/dbraw/zinc/64/78/76/545647876.db2.gz UNQHRINRCBSWFA-GFCCVEGCSA-N 1 0 307.375 1.532 50 5 DDBARO COC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000095466032 185371730 /nfs/dbraw/zinc/37/17/30/185371730.db2.gz QPTKIYNOGJLBGG-IAQYHMDHSA-N 1 0 319.361 1.912 50 5 DDBARO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000095466164 185371795 /nfs/dbraw/zinc/37/17/95/185371795.db2.gz BPPMEPUCCMZZBC-DZGCQCFKSA-N 1 0 303.362 1.690 50 5 DDBARO Nc1nc(NCCC[NH3+])nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005187080 181215275 /nfs/dbraw/zinc/21/52/75/181215275.db2.gz FKEMKIOGVDPJJH-UHFFFAOYSA-N 1 0 309.374 1.472 50 5 DDBARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063159711 184275101 /nfs/dbraw/zinc/27/51/01/184275101.db2.gz ZCLRUTQCFDXDRC-UHFFFAOYSA-N 1 0 313.379 1.215 50 5 DDBARO C[N+]1(Cc2ccccc2)CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000020030766 134642623 /nfs/dbraw/zinc/64/26/23/134642623.db2.gz FWQRTKYJJORINN-UHFFFAOYSA-O 1 0 319.816 1.890 50 5 DDBARO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c2ccncc21 ZINC000069652939 275036026 /nfs/dbraw/zinc/03/60/26/275036026.db2.gz CJCNKAYPTVHKEH-UHFFFAOYSA-N 1 0 316.361 1.647 50 5 DDBARO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000095432125 295264275 /nfs/dbraw/zinc/26/42/75/295264275.db2.gz CLFAHQMXTKDDNV-VIFPVBQESA-N 1 0 319.770 1.264 50 5 DDBARO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124069396 337382982 /nfs/dbraw/zinc/38/29/82/337382982.db2.gz GJCRHQQGABYEHQ-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000222083764 539265359 /nfs/dbraw/zinc/26/53/59/539265359.db2.gz OGVCAEKPJCWQJN-PSASIEDQSA-N 1 0 308.260 1.179 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000095431212 185363158 /nfs/dbraw/zinc/36/31/58/185363158.db2.gz FSDOHYKMYXKAOV-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000010450151 406822432 /nfs/dbraw/zinc/82/24/32/406822432.db2.gz WPLHLQYEZQXPNF-UHFFFAOYSA-N 1 0 313.379 1.359 50 5 DDBARO O=C(NCC[NH+]1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000012557835 406848572 /nfs/dbraw/zinc/84/85/72/406848572.db2.gz CXONHKUGRRQPJL-UHFFFAOYSA-N 1 0 318.377 1.995 50 5 DDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226763 407071692 /nfs/dbraw/zinc/07/16/92/407071692.db2.gz ZCLZHUCGMCWEDK-LSDHHAIUSA-N 1 0 303.362 1.880 50 5 DDBARO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000225627639 407597514 /nfs/dbraw/zinc/59/75/14/407597514.db2.gz UZWGFQVZQATSBH-OAHLLOKOSA-N 1 0 316.361 1.501 50 5 DDBARO C[N+](C)(C)CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000004419261 181108078 /nfs/dbraw/zinc/10/80/78/181108078.db2.gz RVXJRZQVSZOSPR-AWEZNQCLSA-O 1 0 322.454 1.702 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000058442130 184118934 /nfs/dbraw/zinc/11/89/34/184118934.db2.gz BZFMCOSVGRRKKU-NEPJUHHUSA-N 1 0 322.321 1.778 50 5 DDBARO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002512854 406691082 /nfs/dbraw/zinc/69/10/82/406691082.db2.gz OEJPKGAXPXTNNE-UHFFFAOYSA-N 1 0 307.759 1.088 50 5 DDBARO S=c1oc2ccccc2n1C[N+]12CN3CN(CN(C3)C1)C2 ZINC000030836292 406934443 /nfs/dbraw/zinc/93/44/43/406934443.db2.gz ZGBVGIVXCGDPAL-UHFFFAOYSA-N 1 0 304.399 1.430 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000036427640 406980767 /nfs/dbraw/zinc/98/07/67/406980767.db2.gz YLNLAQGNNSAXFK-OCCSQVGLSA-N 1 0 310.350 1.039 50 5 DDBARO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCC)C2)c1[N+](=O)[O-] ZINC000096414344 407262149 /nfs/dbraw/zinc/26/21/49/407262149.db2.gz ZDWMAVJZYDHLPT-LLVKDONJSA-N 1 0 323.397 1.732 50 5 DDBARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000096430909 407265854 /nfs/dbraw/zinc/26/58/54/407265854.db2.gz SDTBKGAOVJMIRB-ZDUSSCGKSA-N 1 0 320.393 1.441 50 5 DDBARO C[N@@H+]1CCC[C@@H](N2CCN(c3sccc3[N+](=O)[O-])CC2)C1 ZINC000096492814 407272647 /nfs/dbraw/zinc/27/26/47/407272647.db2.gz IFTSIPGUEIJAFH-GFCCVEGCSA-N 1 0 310.423 1.873 50 5 DDBARO COc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)c(C)cc1[N+](=O)[O-] ZINC000006607895 274097383 /nfs/dbraw/zinc/09/73/83/274097383.db2.gz FIKPTRKXHLZXEN-LLVKDONJSA-N 1 0 323.349 1.619 50 5 DDBARO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000585133206 771965699 /nfs/dbraw/zinc/96/56/99/771965699.db2.gz ASUHABSOCMBFGM-DOTOQJQBSA-N 1 0 319.405 1.873 50 5 DDBARO C[NH+]1CCC(C)(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000095468522 185372282 /nfs/dbraw/zinc/37/22/82/185372282.db2.gz ZYCDGIYDZNSIDB-UHFFFAOYSA-N 1 0 305.378 1.985 50 5 DDBARO C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C ZINC000585142393 354815456 /nfs/dbraw/zinc/81/54/56/354815456.db2.gz WATQHRGJQWPYNU-MNOVXSKESA-N 1 0 307.354 1.229 50 5 DDBARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000024765160 182390833 /nfs/dbraw/zinc/39/08/33/182390833.db2.gz VAHAKCYBGVAFLK-OAHLLOKOSA-N 1 0 321.377 1.681 50 5 DDBARO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 ZINC000020169607 406886251 /nfs/dbraw/zinc/88/62/51/406886251.db2.gz UQOMVTPYCUFTPS-AATRIKPKSA-N 1 0 305.334 1.056 50 5 DDBARO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122659811 407307859 /nfs/dbraw/zinc/30/78/59/407307859.db2.gz NGOBRWARCISHHZ-MFKMUULPSA-N 1 0 313.379 1.343 50 5 DDBARO CN1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972205 408654961 /nfs/dbraw/zinc/65/49/61/408654961.db2.gz XDGSXEWKTMOTOX-HNNXBMFYSA-N 1 0 319.361 1.416 50 5 DDBARO Cc1cc(C)n(-c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])n1 ZINC000004184114 301234118 /nfs/dbraw/zinc/23/41/18/301234118.db2.gz JMJWFMJOTXNCFI-UHFFFAOYSA-N 1 0 301.350 1.807 50 5 DDBARO CC[N+](C)(C)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000005884569 181292966 /nfs/dbraw/zinc/29/29/66/181292966.db2.gz SPQFWVDODIEBOO-UHFFFAOYSA-O 1 0 322.429 1.176 50 5 DDBARO Cc1nonc1OCC[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000004687279 257267635 /nfs/dbraw/zinc/26/76/35/257267635.db2.gz BLKKBTRIZZEWLJ-UHFFFAOYSA-N 1 0 307.310 1.367 50 5 DDBARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000068280761 406628913 /nfs/dbraw/zinc/62/89/13/406628913.db2.gz FWVAXAZVIMLHEN-CABCVRRESA-N 1 0 309.410 1.813 50 5 DDBARO COC(=O)c1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000002932166 406708269 /nfs/dbraw/zinc/70/82/69/406708269.db2.gz SYIYJYHSGLCBKZ-UHFFFAOYSA-N 1 0 309.322 1.063 50 5 DDBARO CC[NH+]1CCC(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000076041664 191559543 /nfs/dbraw/zinc/55/95/43/191559543.db2.gz KACZUFWGJUOMND-UHFFFAOYSA-N 1 0 323.397 1.420 50 5 DDBARO COc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000229356276 407660785 /nfs/dbraw/zinc/66/07/85/407660785.db2.gz DZMVGTGRLIJGLU-OLZOCXBDSA-N 1 0 319.361 1.960 50 5 DDBARO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000004401820 181107367 /nfs/dbraw/zinc/10/73/67/181107367.db2.gz VLHKRQAQGWECOP-UHFFFAOYSA-N 1 0 301.368 1.133 50 5 DDBARO CN1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004746338 181146959 /nfs/dbraw/zinc/14/69/59/181146959.db2.gz GHTAQAKQABMGFL-UHFFFAOYSA-N 1 0 318.421 1.807 50 5 DDBARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000058424399 184116536 /nfs/dbraw/zinc/11/65/36/184116536.db2.gz QGBNUGCTZIMADX-DZGCQCFKSA-N 1 0 321.352 1.572 50 5 DDBARO O=[N+]([O-])c1cc(I)cc(C2=[NH+]CCN2)c1 ZINC000003163596 285096618 /nfs/dbraw/zinc/09/66/18/285096618.db2.gz FJYYTWZMQQICHX-UHFFFAOYSA-N 1 0 317.086 1.549 50 5 DDBARO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(C)C2 ZINC000000265549 286433745 /nfs/dbraw/zinc/43/37/45/286433745.db2.gz FESJTOGKKMDYHG-YEWWUXTCSA-N 1 0 302.394 1.995 50 5 biogenic DDBARO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000069485821 406720982 /nfs/dbraw/zinc/72/09/82/406720982.db2.gz HIOXHOCXVOYHQE-AWEZNQCLSA-N 1 0 307.350 1.435 50 5 DDBARO CCS(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000015443737 406880734 /nfs/dbraw/zinc/88/07/34/406880734.db2.gz DXHMBVIBWPKMRR-JTQLQIEISA-N 1 0 313.379 1.187 50 5 DDBARO CC(C)[C@@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156397613 408255956 /nfs/dbraw/zinc/25/59/56/408255956.db2.gz AWYNZVVNUPXIMV-CYBMUJFWSA-N 1 0 307.350 1.090 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@@H](O)CC=C[C@]31CC[N+](C)(C)C2 ZINC000247636273 295278504 /nfs/dbraw/zinc/27/85/04/295278504.db2.gz DOUIWWHBJPGSBE-VHSSKADRSA-N 1 0 302.394 1.995 50 5 DDBARO C[NH+](C)CCn1nnnc1SCc1ccccc1[N+](=O)[O-] ZINC000069563046 406734512 /nfs/dbraw/zinc/73/45/12/406734512.db2.gz GARDHYRVYHZNQC-UHFFFAOYSA-N 1 0 308.367 1.435 50 5 DDBARO CC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000071185052 406833958 /nfs/dbraw/zinc/83/39/58/406833958.db2.gz PUHSRNYZBIDCIS-UHFFFAOYSA-N 1 0 306.366 1.607 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccncc3)CC2)cn1 ZINC000026481263 406905037 /nfs/dbraw/zinc/90/50/37/406905037.db2.gz QZXBIVXDDIZIFN-UHFFFAOYSA-N 1 0 313.361 1.750 50 5 DDBARO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420462896 420303067 /nfs/dbraw/zinc/30/30/67/420303067.db2.gz IJCLEBICXAIRFR-GHMZBOCLSA-N 1 0 313.379 1.391 50 5 DDBARO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000585133208 771965638 /nfs/dbraw/zinc/96/56/38/771965638.db2.gz ASUHABSOCMBFGM-RDJZCZTQSA-N 1 0 319.405 1.873 50 5 DDBARO C[NH+](C)C[C@@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032809980 406953272 /nfs/dbraw/zinc/95/32/72/406953272.db2.gz CZINKMIBIQRRFJ-VIFPVBQESA-N 1 0 307.272 1.948 50 5 DDBARO CC[N@@H+]1CCC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000053577178 407170728 /nfs/dbraw/zinc/17/07/28/407170728.db2.gz PBRCPGALOKQNAG-LBPRGKRZSA-N 1 0 306.366 1.851 50 5 DDBARO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000097229426 193694646 /nfs/dbraw/zinc/69/46/46/193694646.db2.gz PWRXCQIDMVLOHI-SECBINFHSA-N 1 0 319.770 1.264 50 5 DDBARO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C(=O)CCC1=O ZINC000058250881 184095634 /nfs/dbraw/zinc/09/56/34/184095634.db2.gz MHIUELZWAYSGRP-LLVKDONJSA-N 1 0 305.334 1.737 50 5 DDBARO O=[N+]([O-])c1cccnc1NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000044976799 280376901 /nfs/dbraw/zinc/37/69/01/280376901.db2.gz BTDACPAGFNMFRP-GXTWGEPZSA-N 1 0 306.366 1.903 50 5 DDBARO CN1CCN(c2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000004543672 290058080 /nfs/dbraw/zinc/05/80/80/290058080.db2.gz BZCSIEQDYKERSB-UHFFFAOYSA-N 1 0 319.409 1.098 50 5 DDBARO COc1ccc2c3c1O[C@H]1[C@@H](O)CC=C[C@@]31CC[N+](C)(C)C2 ZINC000004038896 406720007 /nfs/dbraw/zinc/72/00/07/406720007.db2.gz DOUIWWHBJPGSBE-DOPJRALCSA-N 1 0 302.394 1.995 50 5 biogenic DDBARO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071886532 406862640 /nfs/dbraw/zinc/86/26/40/406862640.db2.gz PZGUGNBHXNCFAQ-GFCCVEGCSA-N 1 0 307.350 1.354 50 5 DDBARO O=[N+]([O-])c1ccc(CCN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000071907935 406866877 /nfs/dbraw/zinc/86/68/77/406866877.db2.gz FNRHAMBRUGLUQW-KRWDZBQOSA-N 1 0 319.405 1.934 50 5 DDBARO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058264695 184095854 /nfs/dbraw/zinc/09/58/54/184095854.db2.gz WUEKEFIHINIQSO-LLVKDONJSA-N 1 0 324.356 1.733 50 5 DDBARO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000058328250 184105746 /nfs/dbraw/zinc/10/57/46/184105746.db2.gz QSOAPRYNYPRFFN-ZDUSSCGKSA-N 1 0 318.377 1.703 50 5 DDBARO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000004652265 181132147 /nfs/dbraw/zinc/13/21/47/181132147.db2.gz VUPRQDKVELPBQC-UHFFFAOYSA-N 1 0 323.397 1.850 50 5 DDBARO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc2ccccn21 ZINC000106167012 194188707 /nfs/dbraw/zinc/18/87/07/194188707.db2.gz BCBWZWHJUWXEHY-RYUDHWBXSA-N 1 0 317.349 1.518 50 5 DDBARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000106526861 194225003 /nfs/dbraw/zinc/22/50/03/194225003.db2.gz RMIWYKZKMKGBCS-HZPDHXFCSA-N 1 0 317.389 1.695 50 5 DDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069516640 406726222 /nfs/dbraw/zinc/72/62/22/406726222.db2.gz MZBDBHOAMZISIO-LBPRGKRZSA-N 1 0 307.350 1.293 50 5 DDBARO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000095367648 407209571 /nfs/dbraw/zinc/20/95/71/407209571.db2.gz WDBMCFQJCUMNKJ-ZDUSSCGKSA-N 1 0 318.377 1.993 50 5 DDBARO CC[NH+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000097299769 407290822 /nfs/dbraw/zinc/29/08/22/407290822.db2.gz TYJDZQGAGGRXTO-XQRVVYSFSA-N 1 0 307.325 1.911 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 ZINC000247650105 222230794 /nfs/dbraw/zinc/23/07/94/222230794.db2.gz MLIBORQWQWVNCO-GOSIZQOLSA-N 1 0 314.405 1.646 50 5 DDBARO COCCC[NH2+]CCOCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000003462059 181023835 /nfs/dbraw/zinc/02/38/35/181023835.db2.gz VOVYNYYSTPBOTG-UHFFFAOYSA-N 1 0 312.366 1.925 50 5 DDBARO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000065867876 184381407 /nfs/dbraw/zinc/38/14/07/184381407.db2.gz UDZKGOLTPJIMJU-KBPBESRZSA-N 1 0 318.377 1.750 50 5 DDBARO CC[N+](C)(CC)C[C@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000002692837 406695855 /nfs/dbraw/zinc/69/58/55/406695855.db2.gz SZEZZCJEWYJFKE-LSDHHAIUSA-N 1 0 310.414 1.690 50 5 DDBARO COCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089346048 407131314 /nfs/dbraw/zinc/13/13/14/407131314.db2.gz GOKYZVBWTJXJCS-UHFFFAOYSA-N 1 0 310.354 1.685 50 5 DDBARO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCO2 ZINC000095984380 407220978 /nfs/dbraw/zinc/22/09/78/407220978.db2.gz MAXOKTYICDKUOG-JTQLQIEISA-N 1 0 304.306 1.871 50 5 DDBARO CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000195557599 407467838 /nfs/dbraw/zinc/46/78/38/407467838.db2.gz JBNPBVJLPQJFFS-UONOGXRCSA-N 1 0 307.350 1.102 50 5 DDBARO CC[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000067233267 184456274 /nfs/dbraw/zinc/45/62/74/184456274.db2.gz LYMDJQWHQFJJRU-UHFFFAOYSA-N 1 0 324.356 1.778 50 5 DDBARO Cc1c(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155176224 197029793 /nfs/dbraw/zinc/02/97/93/197029793.db2.gz NNIXREODFAJZMK-RYUDHWBXSA-N 1 0 305.378 1.997 50 5 DDBARO C[NH+](C)C[C@H](O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000069774546 406770639 /nfs/dbraw/zinc/77/06/39/406770639.db2.gz ANORGAVHGKDSIK-LBPRGKRZSA-N 1 0 323.328 1.597 50 5 DDBARO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000071908289 406866811 /nfs/dbraw/zinc/86/68/11/406866811.db2.gz UGWSAMBQNAZAEB-LBPRGKRZSA-N 1 0 307.350 1.892 50 5 DDBARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000016677801 406883330 /nfs/dbraw/zinc/88/33/30/406883330.db2.gz VHQDOWQSZHIKJL-WCQYABFASA-N 1 0 319.361 1.992 50 5 DDBARO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000097212792 407288531 /nfs/dbraw/zinc/28/85/31/407288531.db2.gz OGVCAEKPJCWQJN-SCZZXKLOSA-N 1 0 308.260 1.179 50 5 DDBARO CNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000229400216 407661167 /nfs/dbraw/zinc/66/11/67/407661167.db2.gz YWRWDGPMZJUEIH-KBPBESRZSA-N 1 0 318.377 1.993 50 5 DDBARO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420462898 420302632 /nfs/dbraw/zinc/30/26/32/420302632.db2.gz IJCLEBICXAIRFR-MNOVXSKESA-N 1 0 313.379 1.391 50 5 DDBARO C=CC(=O)N[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000000486316 275421421 /nfs/dbraw/zinc/42/14/21/275421421.db2.gz INRINYQOYWOUJH-MRXNPFEDSA-O 1 0 305.354 1.357 50 5 biogenic DDBARO CC[N@@H+]1CCC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000078680184 353528194 /nfs/dbraw/zinc/52/81/94/353528194.db2.gz PKQWAJNGKLRFAY-NSHDSACASA-N 1 0 317.349 1.499 50 5 DDBARO Cc1cccc(Nc2nc(NCCC[NH3+])nc(N)c2[N+](=O)[O-])c1 ZINC000004305926 181094977 /nfs/dbraw/zinc/09/49/77/181094977.db2.gz HCZDSMLFXWOEFP-UHFFFAOYSA-N 1 0 317.353 1.780 50 5 DDBARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000068280763 406627858 /nfs/dbraw/zinc/62/78/58/406627858.db2.gz FWVAXAZVIMLHEN-GJZGRUSLSA-N 1 0 309.410 1.813 50 5 DDBARO CC[C@@H](O)C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000084733550 483999316 /nfs/dbraw/zinc/99/93/16/483999316.db2.gz YJIVJRTVUXKARS-GFCCVEGCSA-N 1 0 319.365 1.135 50 5 DDBARO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599102497 357816159 /nfs/dbraw/zinc/81/61/59/357816159.db2.gz OMPPOEULGDMLDH-LBPRGKRZSA-N 1 0 313.379 1.213 50 5 DDBARO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000040554347 183100969 /nfs/dbraw/zinc/10/09/69/183100969.db2.gz WIRNPWJIASNJHP-NSHDSACASA-N 1 0 308.338 1.173 50 5 DDBARO C[NH+]1CCN(C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000095351535 407207911 /nfs/dbraw/zinc/20/79/11/407207911.db2.gz GTBLNUSVJKGJLP-AWEZNQCLSA-N 1 0 320.393 1.047 50 5 DDBARO C[NH+](C)CCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000067192386 407268686 /nfs/dbraw/zinc/26/86/86/407268686.db2.gz OGLZKWNJGIVSNW-UHFFFAOYSA-N 1 0 301.730 1.305 50 5 DDBARO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000408519743 418807636 /nfs/dbraw/zinc/80/76/36/418807636.db2.gz XSHSHBSYVZVKQF-AWEZNQCLSA-N 1 0 307.350 1.181 50 5 DDBARO Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1C[NH+]1CCCC1 ZINC000000017349 274666554 /nfs/dbraw/zinc/66/65/54/274666554.db2.gz WPTFOEGLXOPQJT-UHFFFAOYSA-N 1 0 304.306 1.029 50 5 in-vitro DDBARO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000170616427 407454787 /nfs/dbraw/zinc/45/47/87/407454787.db2.gz YTJXBCJCXCQWBF-LBPRGKRZSA-N 1 0 313.379 1.310 50 5 DDBARO CCn1c2cc([N+](=O)[O-])c(N3CC[NH2+]CC3)cc2n(CC)c1=O ZINC000004458466 273779227 /nfs/dbraw/zinc/77/92/27/273779227.db2.gz WRQKKSXNXWTCCZ-UHFFFAOYSA-N 1 0 319.365 1.161 50 5 DDBARO CNC(=[NH2+])c1cc(I)cc([N+](=O)[O-])c1 ZINC000000610522 273944667 /nfs/dbraw/zinc/94/46/67/273944667.db2.gz DUQKNTDUKLMVLC-UHFFFAOYSA-N 1 0 305.075 1.744 50 5 DDBARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109705634 277483700 /nfs/dbraw/zinc/48/37/00/277483700.db2.gz VMFWEIUOGRQDJY-SNVBAGLBSA-N 1 0 301.368 1.247 50 5 DDBARO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369327192 301165105 /nfs/dbraw/zinc/16/51/05/301165105.db2.gz PHDKBHVWCPDAHX-RTCCRHLQSA-N 1 0 311.363 1.238 50 5 DDBARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000125679 282337319 /nfs/dbraw/zinc/33/73/19/282337319.db2.gz QOUWQLUSDCMQLW-UHFFFAOYSA-N 1 0 313.379 1.310 50 5 DDBARO [NH3+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070188023 190869545 /nfs/dbraw/zinc/86/95/45/190869545.db2.gz YLFSTLFLORWADM-UHFFFAOYSA-N 1 0 313.379 1.344 50 5 DDBARO Cc1c(CC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155176116 197029895 /nfs/dbraw/zinc/02/98/95/197029895.db2.gz NNIXREODFAJZMK-TXEJJXNPSA-N 1 0 305.378 1.997 50 5 DDBARO CC[N+](C)(CC)C[C@@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000002692838 406696078 /nfs/dbraw/zinc/69/60/78/406696078.db2.gz SZEZZCJEWYJFKE-HUUCEWRRSA-N 1 0 310.414 1.690 50 5 DDBARO Cn1cnc([N+](=O)[O-])c1SC[C@@H](O)C[NH+]1CCCCC1 ZINC000000346175 406642999 /nfs/dbraw/zinc/64/29/99/406642999.db2.gz JRHSFEMHVXWJQQ-JTQLQIEISA-N 1 0 300.384 1.267 50 5 DDBARO Cc1nc([N+](=O)[O-])c(SC[C@H](O)C[NH+]2CCCCC2)[nH]1 ZINC000005687095 406734690 /nfs/dbraw/zinc/73/46/90/406734690.db2.gz YGVSKPOGKRSMQT-SNVBAGLBSA-N 1 0 300.384 1.565 50 5 DDBARO Cc1nn(C)c(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000237799384 202357669 /nfs/dbraw/zinc/35/76/69/202357669.db2.gz GRHLKYVHPPWFNF-UHFFFAOYSA-N 1 0 323.397 1.679 50 5 DDBARO C[C@H]([NH2+]C[C@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968508 299321370 /nfs/dbraw/zinc/32/13/70/299321370.db2.gz IBHQSIZREZGRMY-BBRMVZONSA-N 1 0 323.393 1.329 50 5 DDBARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040597151 183107579 /nfs/dbraw/zinc/10/75/79/183107579.db2.gz DWOQJSDXYGPHQJ-LLVKDONJSA-N 1 0 313.379 1.215 50 5 DDBARO CCC[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095972670 407219454 /nfs/dbraw/zinc/21/94/54/407219454.db2.gz LZVQDMUDVRBFBK-MRVPVSSYSA-N 1 0 321.786 1.654 50 5 DDBARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000097375268 407292304 /nfs/dbraw/zinc/29/23/04/407292304.db2.gz SPDYHDQVRPPYML-LLVKDONJSA-N 1 0 321.381 1.424 50 5 DDBARO C[C@@H]([NH2+]C[C@@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968511 287034292 /nfs/dbraw/zinc/03/42/92/287034292.db2.gz IBHQSIZREZGRMY-CZUORRHYSA-N 1 0 323.393 1.329 50 5 DDBARO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000225322792 287358832 /nfs/dbraw/zinc/35/88/32/287358832.db2.gz BFYINUYYZXGTKR-MFKMUULPSA-N 1 0 313.379 1.343 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605168 201841966 /nfs/dbraw/zinc/84/19/66/201841966.db2.gz WTKXIQGSIKFPJM-CABCVRRESA-N 1 0 318.377 1.993 50 5 DDBARO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000252511184 283152207 /nfs/dbraw/zinc/15/22/07/283152207.db2.gz DSLQAEIOWRGEBH-HZMBPMFUSA-N 1 0 304.350 1.224 50 5 DDBARO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647996 194346220 /nfs/dbraw/zinc/34/62/20/194346220.db2.gz ZHBPRMILMBWXSN-SNVBAGLBSA-N 1 0 313.379 1.343 50 5 DDBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000000119867 406623150 /nfs/dbraw/zinc/62/31/50/406623150.db2.gz WGGXFVUWTMJXTA-UHFFFAOYSA-N 1 0 322.365 1.179 50 5 DDBARO CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000195557595 407467538 /nfs/dbraw/zinc/46/75/38/407467538.db2.gz JBNPBVJLPQJFFS-ZIAGYGMSSA-N 1 0 307.350 1.102 50 5 DDBARO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000420463398 295337713 /nfs/dbraw/zinc/33/77/13/295337713.db2.gz IQWYDYIUWWZIIC-QWRGUYRKSA-N 1 0 313.379 1.391 50 5 DDBARO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599102496 357815867 /nfs/dbraw/zinc/81/58/67/357815867.db2.gz OMPPOEULGDMLDH-GFCCVEGCSA-N 1 0 313.379 1.213 50 5 DDBARO NC(=O)c1ccc(CN2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230126991 407681682 /nfs/dbraw/zinc/68/16/82/407681682.db2.gz UVJJWFVDQPOOHX-HIFRSBDPSA-N 1 0 319.361 1.837 50 5 DDBARO [NH3+][C@@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000129318840 196039237 /nfs/dbraw/zinc/03/92/37/196039237.db2.gz CUFJQUOPGPQWDS-VIFPVBQESA-N 1 0 301.144 1.902 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)nc1 ZINC000048301256 418470081 /nfs/dbraw/zinc/47/00/81/418470081.db2.gz NIVMVRMPASJWCZ-TZMCWYRMSA-N 1 0 306.366 1.903 50 5 DDBARO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[NH2+]CC1 ZINC000003884188 275033104 /nfs/dbraw/zinc/03/31/04/275033104.db2.gz ADMOXSJPOKMGFZ-UHFFFAOYSA-N 1 0 320.227 1.931 50 5 DDBARO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155966088 275718033 /nfs/dbraw/zinc/71/80/33/275718033.db2.gz RWQIAHLJICULPZ-LBPRGKRZSA-N 1 0 301.368 1.247 50 5 DDBARO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000069567955 184526793 /nfs/dbraw/zinc/52/67/93/184526793.db2.gz PAMXOKKSEFGGSW-NSHDSACASA-N 1 0 307.350 1.689 50 5 DDBARO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000071905379 184898699 /nfs/dbraw/zinc/89/86/99/184898699.db2.gz WHBIRMZYAGPLKV-UHFFFAOYSA-N 1 0 307.350 1.435 50 5 DDBARO C[N+]1(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000016975558 406883451 /nfs/dbraw/zinc/88/34/51/406883451.db2.gz ARSJZTIZCMBRDU-AWDGRILASA-N 1 0 310.458 1.810 50 5 DDBARO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000230288646 407684678 /nfs/dbraw/zinc/68/46/78/407684678.db2.gz GERCMQIEIBWJAL-RYUDHWBXSA-N 1 0 322.365 1.514 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000006552523 275039662 /nfs/dbraw/zinc/03/96/62/275039662.db2.gz RZQYBCXNCIZORR-ZIAGYGMSSA-N 1 0 310.350 1.181 50 5 DDBARO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000095972646 291993635 /nfs/dbraw/zinc/99/36/35/291993635.db2.gz NDFANLDMKSOPAB-GFCCVEGCSA-N 1 0 313.379 1.227 50 5 DDBARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000069419047 406708290 /nfs/dbraw/zinc/70/82/90/406708290.db2.gz SGPNGECWXQKUDI-SNVBAGLBSA-N 1 0 310.329 1.530 50 5 DDBARO Cc1cnc(N2CCCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000095403367 407213094 /nfs/dbraw/zinc/21/30/94/407213094.db2.gz ITPVVKUWZYLGNA-UHFFFAOYSA-N 1 0 307.398 1.372 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000095432089 407213217 /nfs/dbraw/zinc/21/32/17/407213217.db2.gz MQBHTOQPIXYHGK-NSHDSACASA-N 1 0 315.395 1.555 50 5 DDBARO Cc1ncsc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324906 484004077 /nfs/dbraw/zinc/00/40/77/484004077.db2.gz XVEQBJGQKAZZSH-GXTWGEPZSA-N 1 0 323.374 1.544 50 5 DDBARO CC[NH+](CC)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000040105604 183035641 /nfs/dbraw/zinc/03/56/41/183035641.db2.gz GLKRXCTZPZVPJA-UHFFFAOYSA-N 1 0 315.395 1.523 50 5 DDBARO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069617147 406744187 /nfs/dbraw/zinc/74/41/87/406744187.db2.gz NWPKJPDCRKWPNX-RYUDHWBXSA-N 1 0 307.350 1.559 50 5 DDBARO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000053577181 407170968 /nfs/dbraw/zinc/17/09/68/407170968.db2.gz PBRCPGALOKQNAG-GFCCVEGCSA-N 1 0 306.366 1.851 50 5 DDBARO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067703532 407280810 /nfs/dbraw/zinc/28/08/10/407280810.db2.gz WNXMLJCDDZFPBD-LJLILKBBSA-N 1 0 301.346 1.961 50 5 DDBARO Cc1ccnc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000585092270 483919994 /nfs/dbraw/zinc/91/99/94/483919994.db2.gz MNEDUVXBQZXWIV-ZDUSSCGKSA-N 1 0 320.393 1.988 50 5 DDBARO COc1ccc2c(c1)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000090539351 484009839 /nfs/dbraw/zinc/00/98/39/484009839.db2.gz ZDHKIUOUUMWEBM-CQSZACIVSA-N 1 0 316.361 1.947 50 5 DDBARO Cc1cc(OCC(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000004805539 181153893 /nfs/dbraw/zinc/15/38/93/181153893.db2.gz JECCPFFOZKIMAO-UHFFFAOYSA-N 1 0 307.350 1.492 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000058289900 184100682 /nfs/dbraw/zinc/10/06/82/184100682.db2.gz WTKXIQGSIKFPJM-LSDHHAIUSA-N 1 0 318.377 1.993 50 5 DDBARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000069595418 406739147 /nfs/dbraw/zinc/73/91/47/406739147.db2.gz TYJDZQGAGGRXTO-GQCTYLIASA-N 1 0 307.325 1.911 50 5 DDBARO CCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 ZINC000069661630 406755307 /nfs/dbraw/zinc/75/53/07/406755307.db2.gz IIWVWAAXHSMYDE-UHFFFAOYSA-N 1 0 320.397 1.881 50 5 DDBARO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000095466031 290233276 /nfs/dbraw/zinc/23/32/76/290233276.db2.gz DSLQAEIOWRGEBH-IINYFYTJSA-N 1 0 304.350 1.224 50 5 DDBARO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000095394518 185352358 /nfs/dbraw/zinc/35/23/58/185352358.db2.gz QHAWUWHUSYJNPP-UHFFFAOYSA-N 1 0 313.379 1.453 50 5 DDBARO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000023509317 182362310 /nfs/dbraw/zinc/36/23/10/182362310.db2.gz MZHDCDLFIPHOSD-STQMWFEESA-N 1 0 321.377 1.824 50 5 DDBARO Nc1c(Br)c(N2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000005659934 406735886 /nfs/dbraw/zinc/73/58/86/406735886.db2.gz GJBNQONAXIDUNY-UHFFFAOYSA-N 1 0 319.134 1.488 50 5 DDBARO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069617149 406743990 /nfs/dbraw/zinc/74/39/90/406743990.db2.gz NWPKJPDCRKWPNX-VXGBXAGGSA-N 1 0 307.350 1.559 50 5 DDBARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000069485819 406720680 /nfs/dbraw/zinc/72/06/80/406720680.db2.gz HIOXHOCXVOYHQE-CQSZACIVSA-N 1 0 307.350 1.435 50 5 DDBARO C[NH+](C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000005050599 406727677 /nfs/dbraw/zinc/72/76/77/406727677.db2.gz OAAZSSAIADDEBH-UHFFFAOYSA-N 1 0 323.401 1.321 50 5 DDBARO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000026933731 406906646 /nfs/dbraw/zinc/90/66/46/406906646.db2.gz DFCBTNNSOWQKKL-UHFFFAOYSA-N 1 0 308.334 1.942 50 5 DDBARO COc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000096453195 407269331 /nfs/dbraw/zinc/26/93/31/407269331.db2.gz SIHGKGLCWBDIHS-AWEZNQCLSA-N 1 0 321.377 1.904 50 5 DDBARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000016677800 279127700 /nfs/dbraw/zinc/12/77/00/279127700.db2.gz VHQDOWQSZHIKJL-DGCLKSJQSA-N 1 0 319.361 1.992 50 5 DDBARO Cc1nn(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000002778463 180955540 /nfs/dbraw/zinc/95/55/40/180955540.db2.gz CADNGWVELFFAQP-UHFFFAOYSA-N 1 0 323.397 1.676 50 5 DDBARO COCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058244949 184094031 /nfs/dbraw/zinc/09/40/31/184094031.db2.gz YYXAUQUQQSJUCH-UHFFFAOYSA-N 1 0 321.377 1.364 50 5 DDBARO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069394499 184512163 /nfs/dbraw/zinc/51/21/63/184512163.db2.gz QIXMQCFDKOZNOH-AWEZNQCLSA-N 1 0 322.365 1.827 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091932 292184484 /nfs/dbraw/zinc/18/44/84/292184484.db2.gz HCBCNWPHRFGPJB-JQWIXIFHSA-N 1 0 313.379 1.309 50 5 DDBARO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000084613339 407092025 /nfs/dbraw/zinc/09/20/25/407092025.db2.gz NNRJXBBXQUEIAX-UHFFFAOYSA-N 1 0 321.381 1.126 50 5 DDBARO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)C[NH+](C)C ZINC000191796339 408494545 /nfs/dbraw/zinc/49/45/45/408494545.db2.gz RBRCUOKADXXJFA-SNVBAGLBSA-N 1 0 308.382 1.883 50 5 DDBARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111829892 279142264 /nfs/dbraw/zinc/14/22/64/279142264.db2.gz UMLNBBVKUMSHIS-SNVBAGLBSA-N 1 0 301.368 1.247 50 5 DDBARO CN1C=C(C(=O)NCC[N+]2(C)CCCCC2)C=C/C1=C/N=O ZINC000033896328 352292255 /nfs/dbraw/zinc/29/22/55/352292255.db2.gz BSJNNZPAMBTIOM-QINSGFPZSA-O 1 0 305.402 1.726 50 5 DDBARO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000069464396 406717773 /nfs/dbraw/zinc/71/77/73/406717773.db2.gz RDAVTFGVBFNLSK-ZDUSSCGKSA-N 1 0 321.377 1.744 50 5 DDBARO O=[N+]([O-])c1ccc(CCN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000071907936 406866808 /nfs/dbraw/zinc/86/68/08/406866808.db2.gz FNRHAMBRUGLUQW-QGZVFWFLSA-N 1 0 319.405 1.934 50 5 DDBARO NC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230126985 407681274 /nfs/dbraw/zinc/68/12/74/407681274.db2.gz UVJJWFVDQPOOHX-UKRRQHHQSA-N 1 0 319.361 1.837 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000095432090 301690276 /nfs/dbraw/zinc/69/02/76/301690276.db2.gz MQBHTOQPIXYHGK-LLVKDONJSA-N 1 0 315.395 1.555 50 5 DDBARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000097375117 353919570 /nfs/dbraw/zinc/91/95/70/353919570.db2.gz UHESIUPEKFJDTD-NEPJUHHUSA-N 1 0 307.350 1.737 50 5 DDBARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069516637 406725333 /nfs/dbraw/zinc/72/53/33/406725333.db2.gz MZBDBHOAMZISIO-GFCCVEGCSA-N 1 0 307.350 1.293 50 5 DDBARO O=C(NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000048286102 407093832 /nfs/dbraw/zinc/09/38/32/407093832.db2.gz RCMNLCBGLYPWFL-UHFFFAOYSA-N 1 0 307.350 1.437 50 5 DDBARO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000252511185 290159388 /nfs/dbraw/zinc/15/93/88/290159388.db2.gz DSLQAEIOWRGEBH-YGRLFVJLSA-N 1 0 304.350 1.224 50 5 DDBARO Cc1ccnc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000585092269 483920727 /nfs/dbraw/zinc/92/07/27/483920727.db2.gz MNEDUVXBQZXWIV-CYBMUJFWSA-N 1 0 320.393 1.988 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000195544640 354296714 /nfs/dbraw/zinc/29/67/14/354296714.db2.gz UBVIWFVGNOQLAF-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO CC1CC[NH+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000069327184 406694861 /nfs/dbraw/zinc/69/48/61/406694861.db2.gz UPTGQHUBKLIELF-UHFFFAOYSA-N 1 0 306.366 1.838 50 5 DDBARO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000069517743 406724951 /nfs/dbraw/zinc/72/49/51/406724951.db2.gz MCCNEQJGXLOOBP-LBPRGKRZSA-N 1 0 321.381 1.151 50 5 DDBARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070173611 406809938 /nfs/dbraw/zinc/80/99/38/406809938.db2.gz ULXDDFPSOYJUID-QWRGUYRKSA-N 1 0 313.379 1.343 50 5 DDBARO COC[C@H](O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000089409731 407133664 /nfs/dbraw/zinc/13/36/64/407133664.db2.gz QZISOXUBXUMPNX-CYBMUJFWSA-N 1 0 309.366 1.478 50 5 DDBARO COC[C@@H](O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000089409734 407133957 /nfs/dbraw/zinc/13/39/57/407133957.db2.gz QZISOXUBXUMPNX-ZDUSSCGKSA-N 1 0 309.366 1.478 50 5 DDBARO CN1C=C(C(=O)NCCC[N+]2(C)CCCC2)C=C/C1=C\N=O ZINC000135959542 408062895 /nfs/dbraw/zinc/06/28/95/408062895.db2.gz JRHNUDBWSPRJRV-NTCAYCPXSA-O 1 0 305.402 1.726 50 5 DDBARO [NH3+][C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170091502 408820281 /nfs/dbraw/zinc/82/02/81/408820281.db2.gz ACHOBVRRQFQBAF-GWCFXTLKSA-N 1 0 313.379 1.391 50 5 DDBARO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000194720724 302037835 /nfs/dbraw/zinc/03/78/35/302037835.db2.gz IFWPJIBDUUVRFA-LBPRGKRZSA-N 1 0 307.350 1.306 50 5 DDBARO CCCOc1ccc(C(=O)OCC[N+]2(C)CCOCC2)c(O)c1 ZINC000220133157 717161336 /nfs/dbraw/zinc/16/13/36/717161336.db2.gz DEWFNCXXDPMIHV-UHFFFAOYSA-O 1 0 324.397 1.815 50 5 DDBARO CCOC(=O)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000005709447 352115506 /nfs/dbraw/zinc/11/55/06/352115506.db2.gz KWZAEECLDGADQH-UHFFFAOYSA-N 1 0 312.322 1.655 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3cn[nH]c3)CC2)nc1 ZINC000072597574 191199446 /nfs/dbraw/zinc/19/94/46/191199446.db2.gz DCSQMCVZIJQKIL-UHFFFAOYSA-N 1 0 316.365 1.468 50 5 DDBARO CC[N+](C)(CC)C[C@H](O)COC[C@H]1COc2ccccc2O1 ZINC000002692834 180947017 /nfs/dbraw/zinc/94/70/17/180947017.db2.gz SZEZZCJEWYJFKE-GJZGRUSLSA-N 1 0 310.414 1.690 50 5 DDBARO O=C(NC[C@@H](O)C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000040554346 183100952 /nfs/dbraw/zinc/10/09/52/183100952.db2.gz ANTUMCIJAMFPLP-CYBMUJFWSA-N 1 0 308.338 1.173 50 5 DDBARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040597148 183107297 /nfs/dbraw/zinc/10/72/97/183107297.db2.gz DWOQJSDXYGPHQJ-NSHDSACASA-N 1 0 313.379 1.215 50 5 DDBARO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000585133209 771965543 /nfs/dbraw/zinc/96/55/43/771965543.db2.gz ASUHABSOCMBFGM-WBVHZDCISA-N 1 0 319.405 1.873 50 5 DDBARO COC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079091128 185156458 /nfs/dbraw/zinc/15/64/58/185156458.db2.gz JGDNBOXLTBIROV-NSHDSACASA-N 1 0 307.350 1.552 50 5 DDBARO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070170373 190865926 /nfs/dbraw/zinc/86/59/26/190865926.db2.gz DUENEHYTENFVJU-NSHDSACASA-N 1 0 313.379 1.344 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000006552524 181353157 /nfs/dbraw/zinc/35/31/57/181353157.db2.gz RZQYBCXNCIZORR-KGLIPLIRSA-N 1 0 310.350 1.181 50 5 DDBARO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057720200 184049769 /nfs/dbraw/zinc/04/97/69/184049769.db2.gz GOGYCYZMAWPRFE-LLVKDONJSA-N 1 0 307.350 1.573 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000058442128 184118738 /nfs/dbraw/zinc/11/87/38/184118738.db2.gz BZFMCOSVGRRKKU-VXGBXAGGSA-N 1 0 322.321 1.778 50 5 DDBARO CCC[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000058306932 256538713 /nfs/dbraw/zinc/53/87/13/256538713.db2.gz VOYIDKLFYGNAMX-UHFFFAOYSA-N 1 0 321.377 1.964 50 5 DDBARO CCCCOc1ccc(C[NH+](CCO)CCO)cc1[N+](=O)[O-] ZINC000001820502 406677041 /nfs/dbraw/zinc/67/70/41/406677041.db2.gz XPMLAXMTIKVZNU-UHFFFAOYSA-N 1 0 312.366 1.560 50 5 DDBARO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000069456164 406715515 /nfs/dbraw/zinc/71/55/15/406715515.db2.gz GUZIHLDVWRYPCF-LBPRGKRZSA-N 1 0 320.393 1.873 50 5 DDBARO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000194720709 408795279 /nfs/dbraw/zinc/79/52/79/408795279.db2.gz IFWPJIBDUUVRFA-GFCCVEGCSA-N 1 0 307.350 1.306 50 5 DDBARO O=[N+]([O-])c1cccnc1NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000044976796 418436259 /nfs/dbraw/zinc/43/62/59/418436259.db2.gz BTDACPAGFNMFRP-JSGCOSHPSA-N 1 0 306.366 1.903 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 ZINC000247650109 222230832 /nfs/dbraw/zinc/23/08/32/222230832.db2.gz MLIBORQWQWVNCO-SCCROHOISA-N 1 0 314.405 1.646 50 5 DDBARO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000065491329 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0 313.379 1.535 50 5 DDBARO Cc1ccc(OCCOCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000020118728 182188932 /nfs/dbraw/zinc/18/89/32/182188932.db2.gz MRAAMPCOEUCAAU-UHFFFAOYSA-N 1 0 323.393 1.546 50 5 DDBARO CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(CC)CC2)n1 ZINC000004305988 406723429 /nfs/dbraw/zinc/72/34/29/406723429.db2.gz PEKLNJBSTQUIBP-JTQLQIEISA-N 1 0 323.401 1.319 50 5 DDBARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070173612 406809723 /nfs/dbraw/zinc/80/97/23/406809723.db2.gz ULXDDFPSOYJUID-MNOVXSKESA-N 1 0 313.379 1.343 50 5 DDBARO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070170414 406809878 /nfs/dbraw/zinc/80/98/78/406809878.db2.gz QSDHSFCNQVMJBM-LLVKDONJSA-N 1 0 313.379 1.344 50 5 DDBARO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096455415 407269386 /nfs/dbraw/zinc/26/93/86/407269386.db2.gz IXGSBIPDALYOLX-ZDUSSCGKSA-N 1 0 323.368 1.888 50 5 DDBARO O=[N+]([O-])c1ccn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000195545782 407463847 /nfs/dbraw/zinc/46/38/47/407463847.db2.gz FAABKKJDOVHSCJ-AWEZNQCLSA-N 1 0 302.334 1.211 50 5 DDBARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000170613471 407454004 /nfs/dbraw/zinc/45/40/04/407454004.db2.gz GERCMQIEIBWJAL-NWDGAFQWSA-N 1 0 322.365 1.514 50 5 DDBARO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000019891541 182160757 /nfs/dbraw/zinc/16/07/57/182160757.db2.gz DQMOPYFNEGKUFQ-UHFFFAOYSA-N 1 0 324.337 1.883 50 5 DDBARO CC1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000020638904 182240859 /nfs/dbraw/zinc/24/08/59/182240859.db2.gz WABUIDUMJSTNED-CQSZACIVSA-N 1 0 317.345 1.959 50 5 DDBARO O=[N+]([O-])c1cc[n+]([O-])cc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000328598779 285104216 /nfs/dbraw/zinc/10/42/16/285104216.db2.gz OLGIRHRZFJMJAR-UHFFFAOYSA-N 1 0 320.393 1.931 50 5 DDBARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069413794 406704688 /nfs/dbraw/zinc/70/46/88/406704688.db2.gz APGICYBANSHEPF-NSHDSACASA-N 1 0 317.349 1.685 50 5 DDBARO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070170415 406810948 /nfs/dbraw/zinc/81/09/48/406810948.db2.gz QSDHSFCNQVMJBM-NSHDSACASA-N 1 0 313.379 1.344 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000096429717 407265078 /nfs/dbraw/zinc/26/50/78/407265078.db2.gz CYSMWUBMVYTWKS-GFCCVEGCSA-N 1 0 309.341 1.892 50 5 DDBARO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251785064 222244518 /nfs/dbraw/zinc/24/45/18/222244518.db2.gz NGOBRWARCISHHZ-GXFFZTMASA-N 1 0 313.379 1.343 50 5 DDBARO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000102088769 274004733 /nfs/dbraw/zinc/00/47/33/274004733.db2.gz YCGRYTHBBJZDMO-ZDUSSCGKSA-N 1 0 317.345 1.832 50 5 DDBARO NC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000088545082 185257209 /nfs/dbraw/zinc/25/72/09/185257209.db2.gz UPCRVXADGIYRTK-UHFFFAOYSA-N 1 0 307.350 1.751 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000225172437 539266056 /nfs/dbraw/zinc/26/60/56/539266056.db2.gz BZFMCOSVGRRKKU-RYUDHWBXSA-N 1 0 322.321 1.778 50 5 DDBARO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000058044834 184070509 /nfs/dbraw/zinc/07/05/09/184070509.db2.gz OQCMVRVTPRZQJV-UHFFFAOYSA-N 1 0 323.397 1.338 50 5 DDBARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000069517124 406726405 /nfs/dbraw/zinc/72/64/05/406726405.db2.gz LMEOQUYMFYMBON-CYBMUJFWSA-N 1 0 321.377 1.601 50 5 DDBARO C[C@H]1COCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000585092295 483920305 /nfs/dbraw/zinc/92/03/05/483920305.db2.gz NYQIZHZEEMRKSH-LBPRGKRZSA-N 1 0 306.366 1.679 50 5 DDBARO NC(=[NH2+])NCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000670429444 484825022 /nfs/dbraw/zinc/82/50/22/484825022.db2.gz FUPGMYSRKAKATO-UHFFFAOYSA-N 1 0 324.341 1.958 50 5 DDBARO Cc1ccc(OCC[NH2+]CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000008752992 181583802 /nfs/dbraw/zinc/58/38/02/181583802.db2.gz KRFBTVDEAYRQAS-UHFFFAOYSA-N 1 0 309.366 1.204 50 5 DDBARO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C(=O)CCC1=O ZINC000058250879 184095264 /nfs/dbraw/zinc/09/52/64/184095264.db2.gz MHIUELZWAYSGRP-NSHDSACASA-N 1 0 305.334 1.737 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000058330811 184106288 /nfs/dbraw/zinc/10/62/88/184106288.db2.gz MLHKBIYZAXCGDB-LLVKDONJSA-N 1 0 306.366 1.851 50 5 DDBARO CC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000000494170 406654131 /nfs/dbraw/zinc/65/41/31/406654131.db2.gz QQMNKSQXAPEKTD-KRWDZBQOSA-N 1 0 308.398 1.612 50 5 DDBARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063193854 407231366 /nfs/dbraw/zinc/23/13/66/407231366.db2.gz XMLLJYVDYSZIRC-GXFFZTMASA-N 1 0 313.379 1.485 50 5 DDBARO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069415808 282448344 /nfs/dbraw/zinc/44/83/44/282448344.db2.gz UYGSZDLZLLNCHR-UHFFFAOYSA-N 1 0 313.379 1.311 50 5 DDBARO C[NH+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000005912442 181295579 /nfs/dbraw/zinc/29/55/79/181295579.db2.gz WHRYLEDBEHILIP-UHFFFAOYSA-N 1 0 300.746 1.338 50 5 DDBARO O=[N+]([O-])c1cccc(OCCN2CCOC[C@@]23CCOC3)c1 ZINC000193722700 201111673 /nfs/dbraw/zinc/11/16/73/201111673.db2.gz IPFSIKNUABGYGP-HNNXBMFYSA-N 1 0 308.334 1.465 50 5 DDBARO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000058328252 184105730 /nfs/dbraw/zinc/10/57/30/184105730.db2.gz QSOAPRYNYPRFFN-CYBMUJFWSA-N 1 0 318.377 1.703 50 5 DDBARO CC1CC[NH+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000048342476 407095905 /nfs/dbraw/zinc/09/59/05/407095905.db2.gz LQFMHNMKZUZHER-UHFFFAOYSA-N 1 0 321.377 1.822 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 ZINC000247650112 222230804 /nfs/dbraw/zinc/23/08/04/222230804.db2.gz MLIBORQWQWVNCO-YLWMSMLNSA-N 1 0 314.405 1.646 50 5 DDBARO CO[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000195557583 277741642 /nfs/dbraw/zinc/74/16/42/277741642.db2.gz CPPRCOJDIZYHLY-KBPBESRZSA-N 1 0 307.350 1.482 50 5 DDBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 ZINC000004688064 406725369 /nfs/dbraw/zinc/72/53/69/406725369.db2.gz SAOZWYITSQHLQD-AWEZNQCLSA-N 1 0 320.393 1.938 50 5 DDBARO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000071888348 406862547 /nfs/dbraw/zinc/86/25/47/406862547.db2.gz UEGLPKQAUYRELC-CYBMUJFWSA-N 1 0 319.361 1.574 50 5 DDBARO Cc1ccoc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000075092326 406921988 /nfs/dbraw/zinc/92/19/88/406921988.db2.gz LPQYQBYKSPSSJT-HIFRSBDPSA-N 1 0 306.318 1.680 50 5 DDBARO Cc1cc(N2CCO[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083917 407278876 /nfs/dbraw/zinc/27/88/76/407278876.db2.gz OOWYGRGERCQNGW-GFCCVEGCSA-N 1 0 303.318 1.649 50 5 DDBARO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1C[NH+](C)C ZINC000408520055 418807779 /nfs/dbraw/zinc/80/77/79/418807779.db2.gz VJIQBZBMAKRBQP-UHFFFAOYSA-N 1 0 317.349 1.800 50 5 DDBARO CCOc1cccc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000096503069 276381418 /nfs/dbraw/zinc/38/14/18/276381418.db2.gz OQECODPPPFTYOD-TZMCWYRMSA-N 1 0 307.350 1.513 50 5 DDBARO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899805 181170320 /nfs/dbraw/zinc/17/03/20/181170320.db2.gz DNTVFNZXVHFNNL-CABZTGNLSA-N 1 0 308.338 1.021 50 5 DDBARO CC[NH+](CC)CCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1 ZINC000072285208 406878070 /nfs/dbraw/zinc/87/80/70/406878070.db2.gz XAZMGBFLZGBJPJ-UHFFFAOYSA-N 1 0 321.385 1.919 50 5 DDBARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000066991039 407265437 /nfs/dbraw/zinc/26/54/37/407265437.db2.gz NIZKOLFMYQKEIB-UHFFFAOYSA-N 1 0 304.350 1.690 50 5 DDBARO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000096492291 407272275 /nfs/dbraw/zinc/27/22/75/407272275.db2.gz QFPRBGDQAZSELT-CQSZACIVSA-N 1 0 307.350 1.494 50 5 DDBARO COC[C@@H](O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000097083811 407278959 /nfs/dbraw/zinc/27/89/59/407278959.db2.gz IPLJEUAQLLWNTO-LBPRGKRZSA-N 1 0 305.334 1.895 50 5 DDBARO CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000195557597 407468209 /nfs/dbraw/zinc/46/82/09/407468209.db2.gz JBNPBVJLPQJFFS-KGLIPLIRSA-N 1 0 307.350 1.102 50 5 DDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229724700 407673067 /nfs/dbraw/zinc/67/30/67/407673067.db2.gz ZCLZHUCGMCWEDK-CABCVRRESA-N 1 0 303.362 1.880 50 5 DDBARO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229701669 407673204 /nfs/dbraw/zinc/67/32/04/407673204.db2.gz UDZKGOLTPJIMJU-KGLIPLIRSA-N 1 0 318.377 1.750 50 5 DDBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC[NH2+]1 ZINC000004551513 274364304 /nfs/dbraw/zinc/36/43/04/274364304.db2.gz KXFXSEAONYTOJI-GFCCVEGCSA-N 1 0 306.366 1.230 50 5 DDBARO O=C(c1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1)N1CCCCC1 ZINC000004998497 406730384 /nfs/dbraw/zinc/73/03/84/406730384.db2.gz AQAXOQXSJIAVLY-UHFFFAOYSA-N 1 0 318.377 1.631 50 5 DDBARO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000071888349 406862445 /nfs/dbraw/zinc/86/24/45/406862445.db2.gz UEGLPKQAUYRELC-ZDUSSCGKSA-N 1 0 319.361 1.574 50 5 DDBARO O=C(Cc1ccccc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000048286622 407093739 /nfs/dbraw/zinc/09/37/39/407093739.db2.gz OLBLFXADAOXUNO-UHFFFAOYSA-N 1 0 321.377 1.366 50 5 DDBARO [NH3+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170623431 407457031 /nfs/dbraw/zinc/45/70/31/407457031.db2.gz VEVLOBGVPLTVOK-AWEZNQCLSA-N 1 0 321.358 1.573 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605178 407667964 /nfs/dbraw/zinc/66/79/64/407667964.db2.gz WTKXIQGSIKFPJM-GJZGRUSLSA-N 1 0 318.377 1.993 50 5 DDBARO COc1cccc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302475816 278015924 /nfs/dbraw/zinc/01/59/24/278015924.db2.gz FAXGBPQFASRNTI-GFCCVEGCSA-N 1 0 323.393 1.885 50 5 DDBARO CC(=O)c1ccc(N2CC[C@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000083843719 483984020 /nfs/dbraw/zinc/98/40/20/483984020.db2.gz GFQWXKSFEHXOTA-AWEZNQCLSA-N 1 0 321.377 1.954 50 5 DDBARO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000088384213 185248035 /nfs/dbraw/zinc/24/80/35/185248035.db2.gz KRYROZZRYCYKMZ-UHFFFAOYSA-N 1 0 304.394 1.811 50 5 DDBARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000097375114 353919632 /nfs/dbraw/zinc/91/96/32/353919632.db2.gz UHESIUPEKFJDTD-NWDGAFQWSA-N 1 0 307.350 1.737 50 5 DDBARO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000005060283 181198700 /nfs/dbraw/zinc/19/87/00/181198700.db2.gz JZVZEDNBFGDZIV-UHFFFAOYSA-N 1 0 308.338 1.819 50 5 DDBARO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000040554345 183101075 /nfs/dbraw/zinc/10/10/75/183101075.db2.gz ANTUMCIJAMFPLP-ZDUSSCGKSA-N 1 0 308.338 1.173 50 5 DDBARO CO[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000195557571 285706780 /nfs/dbraw/zinc/70/67/80/285706780.db2.gz CPPRCOJDIZYHLY-ZIAGYGMSSA-N 1 0 307.350 1.482 50 5 DDBARO CC[NH+]1CCN(CCc2nc3cc([N+](=O)[O-])ccc3n2C)CC1 ZINC000002438949 406687215 /nfs/dbraw/zinc/68/72/15/406687215.db2.gz NIUGDFAUBVCHKJ-UHFFFAOYSA-N 1 0 317.393 1.662 50 5 DDBARO C[NH+]1CCN(CCOCCOc2ccccc2[N+](=O)[O-])CC1 ZINC000002954867 406708245 /nfs/dbraw/zinc/70/82/45/406708245.db2.gz IGMSXWVQVXMPLY-UHFFFAOYSA-N 1 0 309.366 1.238 50 5 DDBARO CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000195557602 407468712 /nfs/dbraw/zinc/46/87/12/407468712.db2.gz JBNPBVJLPQJFFS-KBPBESRZSA-N 1 0 307.350 1.102 50 5 DDBARO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000170617938 407456892 /nfs/dbraw/zinc/45/68/92/407456892.db2.gz IYHPRBVUOFZLMU-CYBMUJFWSA-N 1 0 317.349 1.659 50 5 DDBARO CNC(=O)c1ccc(N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000072296176 191112328 /nfs/dbraw/zinc/11/23/28/191112328.db2.gz KWMRUNXJMQHEHC-GFCCVEGCSA-N 1 0 306.366 1.485 50 5 DDBARO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000010327845 406820451 /nfs/dbraw/zinc/82/04/51/406820451.db2.gz NIQNWURETXSLKH-UHFFFAOYSA-N 1 0 322.365 1.300 50 5 DDBARO CCOc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000195563919 276381484 /nfs/dbraw/zinc/38/14/84/276381484.db2.gz OQECODPPPFTYOD-OCCSQVGLSA-N 1 0 307.350 1.513 50 5 DDBARO COC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079091123 185156355 /nfs/dbraw/zinc/15/63/55/185156355.db2.gz JGDNBOXLTBIROV-LLVKDONJSA-N 1 0 307.350 1.552 50 5 DDBARO Cc1nonc1OCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000004182682 181082720 /nfs/dbraw/zinc/08/27/20/181082720.db2.gz GDMVRFRBCIAXEQ-UHFFFAOYSA-N 1 0 307.310 1.367 50 5 DDBARO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc2ccccn21 ZINC000058149993 184081342 /nfs/dbraw/zinc/08/13/42/184081342.db2.gz BCBWZWHJUWXEHY-NEPJUHHUSA-N 1 0 317.349 1.518 50 5 DDBARO O=c1[nH]cnc2cc(NCC[NH+]3CCCC3)c([N+](=O)[O-])cc21 ZINC000032837541 406954361 /nfs/dbraw/zinc/95/43/61/406954361.db2.gz GEHSGXQXVJOGGO-UHFFFAOYSA-N 1 0 303.322 1.339 50 5 DDBARO O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000044976790 418436650 /nfs/dbraw/zinc/43/66/50/418436650.db2.gz BTDACPAGFNMFRP-OCCSQVGLSA-N 1 0 306.366 1.903 50 5 DDBARO COC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000108170943 418499182 /nfs/dbraw/zinc/49/91/82/418499182.db2.gz QPTKIYNOGJLBGG-NHYWBVRUSA-N 1 0 319.361 1.912 50 5 DDBARO COc1ccc2c(c1)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000090539353 484010918 /nfs/dbraw/zinc/01/09/18/484010918.db2.gz ZDHKIUOUUMWEBM-AWEZNQCLSA-N 1 0 316.361 1.947 50 5 DDBARO [NH3+][C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000314365344 698688721 /nfs/dbraw/zinc/68/87/21/698688721.db2.gz QQMGNSDALPCKIR-GFCCVEGCSA-N 1 0 321.358 1.573 50 5 DDBARO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCC[NH+]1CCCC1 ZINC000293816931 409186451 /nfs/dbraw/zinc/18/64/51/409186451.db2.gz CPXNXCWNIRDBFX-UHFFFAOYSA-N 1 0 309.370 1.174 50 5 DDBARO COc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000058393287 184112571 /nfs/dbraw/zinc/11/25/71/184112571.db2.gz DZMVGTGRLIJGLU-QWHCGFSZSA-N 1 0 319.361 1.960 50 5 DDBARO C[NH+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000097134889 407282406 /nfs/dbraw/zinc/28/24/06/407282406.db2.gz MAOSAHTZYIAUPW-UHFFFAOYSA-N 1 0 323.396 1.833 50 5 DDBARO CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000078869446 185121226 /nfs/dbraw/zinc/12/12/26/185121226.db2.gz NEGQADAHYDISLU-UHFFFAOYSA-N 1 0 312.345 1.730 50 5 DDBARO COC[C@H](O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000097083812 193683348 /nfs/dbraw/zinc/68/33/48/193683348.db2.gz IPLJEUAQLLWNTO-GFCCVEGCSA-N 1 0 305.334 1.895 50 5 DDBARO O=[N+]([O-])c1cc(C[NH+](CCO)CCO)ccc1Br ZINC000159420208 197352730 /nfs/dbraw/zinc/35/27/30/197352730.db2.gz GRSZHKSIEFZOKN-UHFFFAOYSA-N 1 0 319.155 1.144 50 5 DDBARO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057720198 184049706 /nfs/dbraw/zinc/04/97/06/184049706.db2.gz GOGYCYZMAWPRFE-NSHDSACASA-N 1 0 307.350 1.573 50 5 DDBARO CNC(=O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069510021 406724980 /nfs/dbraw/zinc/72/49/80/406724980.db2.gz YAFTURCQSDFKQQ-CQSZACIVSA-N 1 0 307.350 1.574 50 5 DDBARO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000069517742 406725781 /nfs/dbraw/zinc/72/57/81/406725781.db2.gz MCCNEQJGXLOOBP-GFCCVEGCSA-N 1 0 321.381 1.151 50 5 DDBARO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000024659808 406892706 /nfs/dbraw/zinc/89/27/06/406892706.db2.gz IEXGRVIRSZSVAW-GFCCVEGCSA-N 1 0 305.334 1.666 50 5 DDBARO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000095987417 407221047 /nfs/dbraw/zinc/22/10/47/407221047.db2.gz AYXFBAVAPSXAEY-HNNXBMFYSA-N 1 0 315.377 1.780 50 5 DDBARO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067703530 407280196 /nfs/dbraw/zinc/28/01/96/407280196.db2.gz WNXMLJCDDZFPBD-OQHXTRMZSA-N 1 0 301.346 1.961 50 5 DDBARO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000223103262 697760081 /nfs/dbraw/zinc/76/00/81/697760081.db2.gz HTAIHSIQMLXOIS-UHFFFAOYSA-N 1 0 321.358 1.532 50 5 DDBARO Nc1nc(NCCC[NH3+])nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005164871 181212505 /nfs/dbraw/zinc/21/25/05/181212505.db2.gz ZPFHWVNTNCRTDE-UHFFFAOYSA-N 1 0 321.316 1.610 50 5 DDBARO C[NH+](C)CCCNC(=O)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000096118612 193545022 /nfs/dbraw/zinc/54/50/22/193545022.db2.gz XSIPDGJUBOXBLC-UHFFFAOYSA-N 1 0 304.350 1.617 50 5 DDBARO CC[NH+](CC)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069538833 406731279 /nfs/dbraw/zinc/73/12/79/406731279.db2.gz FALQWJZGCPRUSK-UHFFFAOYSA-N 1 0 318.337 1.660 50 5 DDBARO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000069586915 406738840 /nfs/dbraw/zinc/73/88/40/406738840.db2.gz VILRUVQSRTUDEX-LBPRGKRZSA-N 1 0 318.377 1.796 50 5 DDBARO COc1ccc(CN(C)C(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000225487935 407591492 /nfs/dbraw/zinc/59/14/92/407591492.db2.gz XZJNLDGPDPYHIE-LBPRGKRZSA-N 1 0 307.350 1.704 50 5 DDBARO CC[N+](C)(CC)C[C@@H](O)COC[C@H]1COc2ccccc2O1 ZINC000005447151 190621440 /nfs/dbraw/zinc/62/14/40/190621440.db2.gz SZEZZCJEWYJFKE-CABCVRRESA-N 1 0 310.414 1.690 50 5 DDBARO CC[NH+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004413867 181107864 /nfs/dbraw/zinc/10/78/64/181107864.db2.gz YLVCTFKIWRDVQD-UHFFFAOYSA-N 1 0 301.368 1.215 50 5 DDBARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000068280768 406628066 /nfs/dbraw/zinc/62/80/66/406628066.db2.gz FWVAXAZVIMLHEN-LSDHHAIUSA-N 1 0 309.410 1.813 50 5 DDBARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069617143 406743283 /nfs/dbraw/zinc/74/32/83/406743283.db2.gz NWPKJPDCRKWPNX-NEPJUHHUSA-N 1 0 307.350 1.559 50 5 DDBARO CC[NH+]1CCN(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000025435973 406898018 /nfs/dbraw/zinc/89/80/18/406898018.db2.gz RDBCVZFHNOTQII-UHFFFAOYSA-N 1 0 320.393 1.788 50 5 DDBARO CCN(CCC[NH+](C)C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000097105118 407280737 /nfs/dbraw/zinc/28/07/37/407280737.db2.gz VLMBVMQGVTVEOH-UHFFFAOYSA-N 1 0 319.365 1.381 50 5 DDBARO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000222149451 407554054 /nfs/dbraw/zinc/55/40/54/407554054.db2.gz AYXFBAVAPSXAEY-OAHLLOKOSA-N 1 0 315.377 1.780 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275620295 408623819 /nfs/dbraw/zinc/62/38/19/408623819.db2.gz UVNCHMKWOLFAIS-GFCCVEGCSA-N 1 0 308.382 1.580 50 5 DDBARO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000170614344 197791412 /nfs/dbraw/zinc/79/14/12/197791412.db2.gz DJILYOFIJNAOMA-ZDUSSCGKSA-N 1 0 313.379 1.391 50 5 DDBARO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000072284939 191104043 /nfs/dbraw/zinc/10/40/43/191104043.db2.gz IDRQHFCNORCQKF-UHFFFAOYSA-N 1 0 322.409 1.397 50 5 DDBARO C[N@@H+]1CCC[C@H](N2CCN(c3sccc3[N+](=O)[O-])CC2)C1 ZINC000096492812 407272698 /nfs/dbraw/zinc/27/26/98/407272698.db2.gz IFTSIPGUEIJAFH-LBPRGKRZSA-N 1 0 310.423 1.873 50 5 DDBARO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000097114265 407280903 /nfs/dbraw/zinc/28/09/03/407280903.db2.gz BBHFTWPBBIMRIZ-NSHDSACASA-N 1 0 321.381 1.422 50 5 DDBARO [NH3+][C@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000129319046 196039487 /nfs/dbraw/zinc/03/94/87/196039487.db2.gz CUFJQUOPGPQWDS-SECBINFHSA-N 1 0 301.144 1.902 50 5 DDBARO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000095972645 407219390 /nfs/dbraw/zinc/21/93/90/407219390.db2.gz NDFANLDMKSOPAB-LBPRGKRZSA-N 1 0 313.379 1.227 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275620298 408623968 /nfs/dbraw/zinc/62/39/68/408623968.db2.gz UVNCHMKWOLFAIS-LBPRGKRZSA-N 1 0 308.382 1.580 50 5 DDBARO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111829890 278978267 /nfs/dbraw/zinc/97/82/67/278978267.db2.gz UMLNBBVKUMSHIS-JTQLQIEISA-N 1 0 301.368 1.247 50 5 DDBARO CC[C@H](O)C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000084733547 483998862 /nfs/dbraw/zinc/99/88/62/483998862.db2.gz YJIVJRTVUXKARS-LBPRGKRZSA-N 1 0 319.365 1.135 50 5 DDBARO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000150323998 186056575 /nfs/dbraw/zinc/05/65/75/186056575.db2.gz VCBGDIYFTFHZEJ-JTQLQIEISA-N 1 0 301.368 1.391 50 5 DDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593733663 355980223 /nfs/dbraw/zinc/98/02/23/355980223.db2.gz YGHPWSFWONRQBO-UHFFFAOYSA-N 1 0 313.379 1.263 50 5 DDBARO O=[N+]([O-])c1cccc(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000019939193 182168127 /nfs/dbraw/zinc/16/81/27/182168127.db2.gz LQOROOAFJJOXQS-UHFFFAOYSA-N 1 0 305.378 1.891 50 5 DDBARO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000110792636 194359102 /nfs/dbraw/zinc/35/91/02/194359102.db2.gz GHNSRTFXRVJIEA-LLVKDONJSA-N 1 0 313.379 1.263 50 5 DDBARO CC(C)(C)[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000057839439 184056616 /nfs/dbraw/zinc/05/66/16/184056616.db2.gz VNFNKAGKVOVYCP-UHFFFAOYSA-N 1 0 315.395 1.798 50 5 DDBARO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000095367650 407210203 /nfs/dbraw/zinc/21/02/03/407210203.db2.gz WDBMCFQJCUMNKJ-CYBMUJFWSA-N 1 0 318.377 1.993 50 5 DDBARO CN1C=C(C(=O)NCCCCC[N+](C)(C)C)C=C/C1=C\N=O ZINC000137049973 354117940 /nfs/dbraw/zinc/11/79/40/354117940.db2.gz IMORNGWAKYFODX-NTCAYCPXSA-O 1 0 307.418 1.972 50 5 DDBARO Cn1c2ccccc2c(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000585134836 354811981 /nfs/dbraw/zinc/81/19/81/354811981.db2.gz LNJHCFLIHIBFDI-UHFFFAOYSA-N 1 0 316.361 1.445 50 5 DDBARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000069531540 406731077 /nfs/dbraw/zinc/73/10/77/406731077.db2.gz AWWCXSDCBSFACO-GFCCVEGCSA-N 1 0 322.365 1.018 50 5 DDBARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003371446 406716445 /nfs/dbraw/zinc/71/64/45/406716445.db2.gz NGRKIBYTJYKNHK-LBPRGKRZSA-N 1 0 313.379 1.357 50 5 DDBARO C[NH+]1CCN(C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000095351534 407208203 /nfs/dbraw/zinc/20/82/03/407208203.db2.gz GTBLNUSVJKGJLP-CQSZACIVSA-N 1 0 320.393 1.047 50 5 DDBARO C[NH+](C)C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000066395595 407250147 /nfs/dbraw/zinc/25/01/47/407250147.db2.gz JNALPKIYNBSKTM-UHFFFAOYSA-N 1 0 321.377 1.916 50 5 DDBARO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000208158615 697749895 /nfs/dbraw/zinc/74/98/95/697749895.db2.gz JCWPKBPRODWUKF-ZDUSSCGKSA-N 1 0 313.379 1.213 50 5 DDBARO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109705632 407397540 /nfs/dbraw/zinc/39/75/40/407397540.db2.gz VMFWEIUOGRQDJY-JTQLQIEISA-N 1 0 301.368 1.247 50 5 DDBARO CC(=O)c1ccc(N2CC[C@@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000083843720 483985064 /nfs/dbraw/zinc/98/50/64/483985064.db2.gz GFQWXKSFEHXOTA-CQSZACIVSA-N 1 0 321.377 1.954 50 5 DDBARO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069586320 406740070 /nfs/dbraw/zinc/74/00/70/406740070.db2.gz RKPMLZZMCSNULH-LSDHHAIUSA-N 1 0 319.361 1.717 50 5 DDBARO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000069586912 406740601 /nfs/dbraw/zinc/74/06/01/406740601.db2.gz VILRUVQSRTUDEX-GFCCVEGCSA-N 1 0 318.377 1.796 50 5 DDBARO CC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037113 407052582 /nfs/dbraw/zinc/05/25/82/407052582.db2.gz YYPNFHOUPXQTAK-UHFFFAOYSA-N 1 0 307.350 1.528 50 5 DDBARO C[C@]1(C[NH3+])CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262053131 407726298 /nfs/dbraw/zinc/72/62/98/407726298.db2.gz RCUAONAERRYZPI-CQSZACIVSA-N 1 0 303.322 1.282 50 5 DDBARO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155909014 408224959 /nfs/dbraw/zinc/22/49/59/408224959.db2.gz GFLXPSWZBYTIRK-CYBMUJFWSA-N 1 0 315.395 1.637 50 5 DDBARO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000252517300 408804109 /nfs/dbraw/zinc/80/41/09/408804109.db2.gz FBSIAVSNYBLIEM-KCPJHIHWSA-N 1 0 303.362 1.215 50 5 DDBARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000089814094 283350048 /nfs/dbraw/zinc/35/00/48/283350048.db2.gz VUHISCQIEDUPDC-OAHLLOKOSA-N 1 0 318.377 1.513 50 5 DDBARO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000034872103 406965339 /nfs/dbraw/zinc/96/53/39/406965339.db2.gz YLNLAQGNNSAXFK-JSGCOSHPSA-N 1 0 310.350 1.039 50 5 DDBARO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420462901 420302789 /nfs/dbraw/zinc/30/27/89/420302789.db2.gz IJCLEBICXAIRFR-WDEREUQCSA-N 1 0 313.379 1.391 50 5 DDBARO CCS(=O)(=O)c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000015443149 280031209 /nfs/dbraw/zinc/03/12/09/280031209.db2.gz WBIKSUWFRNIJNN-UHFFFAOYSA-N 1 0 313.379 1.188 50 5 DDBARO CC(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000195560341 354297770 /nfs/dbraw/zinc/29/77/70/354297770.db2.gz ONRAPYOKXDZTAC-UHFFFAOYSA-N 1 0 321.381 1.376 50 5 DDBARO Cc1cc(N2CCO[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083916 407278920 /nfs/dbraw/zinc/27/89/20/407278920.db2.gz OOWYGRGERCQNGW-LBPRGKRZSA-N 1 0 303.318 1.649 50 5 DDBARO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000170614345 407454655 /nfs/dbraw/zinc/45/46/55/407454655.db2.gz DJILYOFIJNAOMA-CYBMUJFWSA-N 1 0 313.379 1.391 50 5 DDBARO CC[NH+]1CCC(N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000069921252 190839375 /nfs/dbraw/zinc/83/93/75/190839375.db2.gz BZNGFJIIOOMZBX-UHFFFAOYSA-N 1 0 321.377 1.916 50 5 DDBARO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 ZINC000001851012 352110148 /nfs/dbraw/zinc/11/01/48/352110148.db2.gz MLIBORQWQWVNCO-RVJFBUOYSA-N 1 0 314.405 1.646 50 5 biogenic DDBARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063193855 296027893 /nfs/dbraw/zinc/02/78/93/296027893.db2.gz XMLLJYVDYSZIRC-ZWNOBZJWSA-N 1 0 313.379 1.485 50 5 DDBARO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000000346444 406642932 /nfs/dbraw/zinc/64/29/32/406642932.db2.gz BQVYUQIDNMOXRH-NSHDSACASA-N 1 0 307.350 1.818 50 5 DDBARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000012780808 406852157 /nfs/dbraw/zinc/85/21/57/406852157.db2.gz DTAPIMZDKHEYQP-OAHLLOKOSA-N 1 0 321.377 1.681 50 5 DDBARO Cc1ccoc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000075092323 406921935 /nfs/dbraw/zinc/92/19/35/406921935.db2.gz LPQYQBYKSPSSJT-DZGCQCFKSA-N 1 0 306.318 1.680 50 5 DDBARO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000420463402 420302151 /nfs/dbraw/zinc/30/21/51/420302151.db2.gz IQWYDYIUWWZIIC-WDEREUQCSA-N 1 0 313.379 1.391 50 5 DDBARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000095432092 185363416 /nfs/dbraw/zinc/36/34/16/185363416.db2.gz IKFTWZNUCZGZEB-SNVBAGLBSA-N 1 0 319.358 1.386 50 5 DDBARO C[NH+](C)Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000048169148 352528525 /nfs/dbraw/zinc/52/85/25/352528525.db2.gz RYEJRQZQHSSWDP-UHFFFAOYSA-N 1 0 303.322 1.492 50 5 DDBARO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003887725 181052833 /nfs/dbraw/zinc/05/28/33/181052833.db2.gz TZBCQPREQVMHBZ-UHFFFAOYSA-N 1 0 307.759 1.088 50 5 DDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c2ncccc12 ZINC000019286092 182112011 /nfs/dbraw/zinc/11/20/11/182112011.db2.gz BGKYIPHYQNPZAS-UHFFFAOYSA-N 1 0 302.334 1.257 50 5 DDBARO CCN(CC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000215958 284923113 /nfs/dbraw/zinc/92/31/13/284923113.db2.gz XPBDRYZZKKTAMO-UHFFFAOYSA-N 1 0 311.382 1.996 50 5 DDBARO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000069567958 406734942 /nfs/dbraw/zinc/73/49/42/406734942.db2.gz PAMXOKKSEFGGSW-LLVKDONJSA-N 1 0 307.350 1.689 50 5 DDBARO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000069419046 406708446 /nfs/dbraw/zinc/70/84/46/406708446.db2.gz SGPNGECWXQKUDI-JTQLQIEISA-N 1 0 310.329 1.530 50 5 DDBARO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096487659 407272344 /nfs/dbraw/zinc/27/23/44/407272344.db2.gz SGIIFMBLUPCHEN-LBPRGKRZSA-N 1 0 321.381 1.323 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000225479392 407591466 /nfs/dbraw/zinc/59/14/66/407591466.db2.gz SSXWVCZHMBVFQL-UHFFFAOYSA-N 1 0 315.395 1.699 50 5 DDBARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000133489317 407851131 /nfs/dbraw/zinc/85/11/31/407851131.db2.gz ZMRZLDGYVAGHAF-UHFFFAOYSA-N 1 0 301.368 1.391 50 5 DDBARO [NH3+][C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170091511 408820242 /nfs/dbraw/zinc/82/02/42/408820242.db2.gz ACHOBVRRQFQBAF-ZWNOBZJWSA-N 1 0 313.379 1.391 50 5 DDBARO Cc1nn(CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000046863303 418450597 /nfs/dbraw/zinc/45/05/97/418450597.db2.gz VRTHFPKGCSAVBP-LLVKDONJSA-N 1 0 323.397 1.256 50 5 DDBARO CCC[NH+]1CCN(c2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000032918608 276012935 /nfs/dbraw/zinc/01/29/35/276012935.db2.gz NBNBAOPRASNOAI-UHFFFAOYSA-N 1 0 307.350 1.913 50 5 DDBARO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000095432126 295243843 /nfs/dbraw/zinc/24/38/43/295243843.db2.gz CLFAHQMXTKDDNV-SECBINFHSA-N 1 0 319.770 1.264 50 5 DDBARO C[NH+]1CCN(CCCNC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000020153977 182193325 /nfs/dbraw/zinc/19/33/25/182193325.db2.gz WCWOBISGVSYCDQ-UHFFFAOYSA-N 1 0 321.381 1.354 50 5 DDBARO CC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000000494171 406652090 /nfs/dbraw/zinc/65/20/90/406652090.db2.gz QQMNKSQXAPEKTD-QGZVFWFLSA-N 1 0 308.398 1.612 50 5 DDBARO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177400 406812551 /nfs/dbraw/zinc/81/25/51/406812551.db2.gz BFYINUYYZXGTKR-GXFFZTMASA-N 1 0 313.379 1.343 50 5 DDBARO [NH3+]CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000070188053 406812281 /nfs/dbraw/zinc/81/22/81/406812281.db2.gz LKHPKUMONDRSQE-UHFFFAOYSA-N 1 0 313.379 1.344 50 5 DDBARO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000071908290 406866936 /nfs/dbraw/zinc/86/69/36/406866936.db2.gz UGWSAMBQNAZAEB-GFCCVEGCSA-N 1 0 307.350 1.892 50 5 DDBARO COC1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079998760 407068455 /nfs/dbraw/zinc/06/84/55/407068455.db2.gz PNNLZYTVCBQOEV-UHFFFAOYSA-N 1 0 321.377 1.364 50 5 DDBARO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091930 407123335 /nfs/dbraw/zinc/12/33/35/407123335.db2.gz HCBCNWPHRFGPJB-PWSUYJOCSA-N 1 0 313.379 1.309 50 5 DDBARO Cc1ncsc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324912 484003588 /nfs/dbraw/zinc/00/35/88/484003588.db2.gz XVEQBJGQKAZZSH-OCCSQVGLSA-N 1 0 323.374 1.544 50 5 DDBARO CN1C=C(C(=O)NCCCCC[N+](C)(C)C)C=C/C1=C/N=O ZINC000038178643 352297760 /nfs/dbraw/zinc/29/77/60/352297760.db2.gz IMORNGWAKYFODX-QINSGFPZSA-O 1 0 307.418 1.972 50 5 DDBARO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000094070950 193343638 /nfs/dbraw/zinc/34/36/38/193343638.db2.gz UNNOLAFSJWQCDS-UHFFFAOYSA-N 1 0 313.379 1.626 50 5 DDBARO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc2ccccn21 ZINC000058149987 184081706 /nfs/dbraw/zinc/08/17/06/184081706.db2.gz BCBWZWHJUWXEHY-VXGBXAGGSA-N 1 0 317.349 1.518 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000058330809 184106083 /nfs/dbraw/zinc/10/60/83/184106083.db2.gz MLHKBIYZAXCGDB-NSHDSACASA-N 1 0 306.366 1.851 50 5 DDBARO O=[N+]([O-])c1c(NCCCC[NH+]2CCOCC2)nc2ccccn21 ZINC000052308830 407150489 /nfs/dbraw/zinc/15/04/89/407150489.db2.gz CWPDTNRZSVAUCJ-UHFFFAOYSA-N 1 0 319.365 1.767 50 5 DDBARO [NH3+][C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170091506 408820259 /nfs/dbraw/zinc/82/02/59/408820259.db2.gz ACHOBVRRQFQBAF-MFKMUULPSA-N 1 0 313.379 1.391 50 5 DDBARO C=CC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000000486315 276880201 /nfs/dbraw/zinc/88/02/01/276880201.db2.gz INRINYQOYWOUJH-INIZCTEOSA-O 1 0 305.354 1.357 50 5 biogenic DDBARO C[NH+](C)CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003887636 181052804 /nfs/dbraw/zinc/05/28/04/181052804.db2.gz AVYJCSLKKCJVJF-UHFFFAOYSA-N 1 0 321.786 1.478 50 5 DDBARO Cc1c(NC(=O)CC[N@@H+](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000041894336 183224291 /nfs/dbraw/zinc/22/42/91/183224291.db2.gz RGIWEUASFPLNIA-UHFFFAOYSA-N 1 0 322.365 1.252 50 5 DDBARO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069617150 406743546 /nfs/dbraw/zinc/74/35/46/406743546.db2.gz NWPKJPDCRKWPNX-NWDGAFQWSA-N 1 0 307.350 1.559 50 5 DDBARO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069844545 406778098 /nfs/dbraw/zinc/77/80/98/406778098.db2.gz YRSJAGIAWRMDTN-LLVKDONJSA-N 1 0 313.379 1.215 50 5 DDBARO Cn1ccnc1C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000090004091 407163858 /nfs/dbraw/zinc/16/38/58/407163858.db2.gz PECAJJZWNGKCNN-CYBMUJFWSA-N 1 0 318.381 1.480 50 5 DDBARO COc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000096453196 407269086 /nfs/dbraw/zinc/26/90/86/407269086.db2.gz SIHGKGLCWBDIHS-CQSZACIVSA-N 1 0 321.377 1.904 50 5 DDBARO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000096492289 407272708 /nfs/dbraw/zinc/27/27/08/407272708.db2.gz QFPRBGDQAZSELT-AWEZNQCLSA-N 1 0 307.350 1.494 50 5 DDBARO Cc1nonc1O[C@@H](C)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000004168257 181080829 /nfs/dbraw/zinc/08/08/29/181080829.db2.gz YABNBMMQOMXIHB-JTQLQIEISA-N 1 0 321.337 1.755 50 5 DDBARO C[N+](C)(C)CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000004419260 181108046 /nfs/dbraw/zinc/10/80/46/181108046.db2.gz RVXJRZQVSZOSPR-CQSZACIVSA-O 1 0 322.454 1.702 50 5 DDBARO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058264694 184096101 /nfs/dbraw/zinc/09/61/01/184096101.db2.gz WUEKEFIHINIQSO-NSHDSACASA-N 1 0 324.356 1.733 50 5 DDBARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000058424394 184116190 /nfs/dbraw/zinc/11/61/90/184116190.db2.gz QGBNUGCTZIMADX-UKRRQHHQSA-N 1 0 321.352 1.572 50 5 DDBARO CCn1c2ccccc2c(N2CCN(C)CC2)c([N+](=O)[O-])c1=O ZINC000004264098 406723905 /nfs/dbraw/zinc/72/39/05/406723905.db2.gz APBPNOZRRMZBEG-UHFFFAOYSA-N 1 0 316.361 1.681 50 5 DDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226762 407071354 /nfs/dbraw/zinc/07/13/54/407071354.db2.gz ZCLZHUCGMCWEDK-HUUCEWRRSA-N 1 0 303.362 1.880 50 5 DDBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000096441436 407266981 /nfs/dbraw/zinc/26/69/81/407266981.db2.gz YMVONIJQIMZPFE-INIZCTEOSA-N 1 0 316.361 1.253 50 5 DDBARO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000058289899 184101142 /nfs/dbraw/zinc/10/11/42/184101142.db2.gz WTKXIQGSIKFPJM-HUUCEWRRSA-N 1 0 318.377 1.993 50 5 DDBARO CN1C=CC(C(=O)NCCC[N+]2(C)CCCC2)=C/C1=C\N=O ZINC000208027103 418558303 /nfs/dbraw/zinc/55/83/03/418558303.db2.gz RUWCDRRZEWZMMR-FYWRMAATSA-O 1 0 305.402 1.726 50 5 DDBARO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000408516211 418806937 /nfs/dbraw/zinc/80/69/37/418806937.db2.gz ZFDPHIUJAZZJIG-UHFFFAOYSA-N 1 0 321.381 1.126 50 5 DDBARO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c1C ZINC000097229423 337382222 /nfs/dbraw/zinc/38/22/22/337382222.db2.gz ADOWKUXGZKWSFO-LLVKDONJSA-N 1 0 313.379 1.227 50 5 DDBARO C[NH+](C)C[C@@H](O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000069779576 406771077 /nfs/dbraw/zinc/77/10/77/406771077.db2.gz DEFOWGUEYMCSEX-GFCCVEGCSA-N 1 0 323.328 1.597 50 5 DDBARO O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)nc1 ZINC000048301254 304803536 /nfs/dbraw/zinc/80/35/36/304803536.db2.gz NIVMVRMPASJWCZ-OCCSQVGLSA-N 1 0 306.366 1.903 50 5 DDBARO Cc1ccc([N+](=O)[O-])c(OCC[NH2+]CCN2CCOCC2)c1 ZINC000004833345 181159510 /nfs/dbraw/zinc/15/95/10/181159510.db2.gz PSCZDBLCEFZLLY-UHFFFAOYSA-N 1 0 309.366 1.204 50 5 DDBARO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000521398537 257234429 /nfs/dbraw/zinc/23/44/29/257234429.db2.gz MUEQNHSOKHWMHN-UHFFFAOYSA-N 1 0 308.357 1.418 50 5 DDBARO C[NH+](C)C[C@H](O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000069779574 406771862 /nfs/dbraw/zinc/77/18/62/406771862.db2.gz DEFOWGUEYMCSEX-LBPRGKRZSA-N 1 0 323.328 1.597 50 5 DDBARO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000075110057 406921457 /nfs/dbraw/zinc/92/14/57/406921457.db2.gz NTDOQKNLDRTRMK-PHIMTYICSA-N 1 0 324.385 1.268 50 5 DDBARO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000221882404 407550474 /nfs/dbraw/zinc/55/04/74/407550474.db2.gz DNNGPTGDVPUIIW-SMDDNHRTSA-N 1 0 319.361 1.857 50 5 DDBARO Cc1nn(CC(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000046863301 418451065 /nfs/dbraw/zinc/45/10/65/418451065.db2.gz VRTHFPKGCSAVBP-NSHDSACASA-N 1 0 323.397 1.256 50 5 DDBARO CC[NH+]1CCN(C2CN(c3ccc([N+](=O)[O-])c(C)n3)C2)CC1 ZINC000952994299 721534584 /nfs/dbraw/zinc/53/45/84/721534584.db2.gz YUTLUZHJMZZCGF-UHFFFAOYSA-N 1 0 305.382 1.124 50 5 DDBARO COC[C@]1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261696762 539275275 /nfs/dbraw/zinc/27/52/75/539275275.db2.gz IBGONLGZGNOGMT-GFCCVEGCSA-N 1 0 300.746 1.824 50 5 DDBARO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000095432091 185363549 /nfs/dbraw/zinc/36/35/49/185363549.db2.gz IKFTWZNUCZGZEB-JTQLQIEISA-N 1 0 319.358 1.386 50 5 DDBARO CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(CC)CC2)n1 ZINC000004305987 406723456 /nfs/dbraw/zinc/72/34/56/406723456.db2.gz PEKLNJBSTQUIBP-SNVBAGLBSA-N 1 0 323.401 1.319 50 5 DDBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000004688065 406727174 /nfs/dbraw/zinc/72/71/74/406727174.db2.gz SAOZWYITSQHLQD-CQSZACIVSA-N 1 0 320.393 1.938 50 5 DDBARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000044507329 407025628 /nfs/dbraw/zinc/02/56/28/407025628.db2.gz RMIWYKZKMKGBCS-CVEARBPZSA-N 1 0 317.389 1.695 50 5 DDBARO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229605254 407668731 /nfs/dbraw/zinc/66/87/31/407668731.db2.gz RKPMLZZMCSNULH-CABCVRRESA-N 1 0 319.361 1.717 50 5 DDBARO CCC[N@H+](CC)CCNC(=O)N(C)c1ccncc1[N+](=O)[O-] ZINC000089958861 185271664 /nfs/dbraw/zinc/27/16/64/185271664.db2.gz JUWGYTOQQKUDJC-UHFFFAOYSA-N 1 0 309.370 1.868 50 5 DDBARO Cc1c([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nn1C ZINC000002778434 180955580 /nfs/dbraw/zinc/95/55/80/180955580.db2.gz QYBXHJZDAVNQRQ-UHFFFAOYSA-N 1 0 323.397 1.676 50 5 DDBARO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])cc1C ZINC000006607652 181360827 /nfs/dbraw/zinc/36/08/27/181360827.db2.gz JHHDVVIISOFDPE-GFCCVEGCSA-N 1 0 307.350 1.919 50 5 DDBARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070173610 406810023 /nfs/dbraw/zinc/81/00/23/406810023.db2.gz ULXDDFPSOYJUID-GHMZBOCLSA-N 1 0 313.379 1.343 50 5 DDBARO [NH3+][C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000097019582 303469248 /nfs/dbraw/zinc/46/92/48/303469248.db2.gz HHPHUQFPWWQDIN-CYBMUJFWSA-N 1 0 321.380 1.714 50 5 DDBARO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000585133207 771965405 /nfs/dbraw/zinc/96/54/05/771965405.db2.gz ASUHABSOCMBFGM-NVXWUHKLSA-N 1 0 319.405 1.873 50 5 DDBARO CN1CC[NH+](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000004746336 181147128 /nfs/dbraw/zinc/14/71/28/181147128.db2.gz DRGPAAYACRLSIE-UHFFFAOYSA-N 1 0 318.421 1.807 50 5 DDBARO O=c1nc(C[N+]23CCN(CC2)CC3)[nH]c2sc3c(c21)CCC3 ZINC000006648380 285195901 /nfs/dbraw/zinc/19/59/01/285195901.db2.gz HBOSOGGANLFGKI-UHFFFAOYSA-O 1 0 317.438 1.119 50 5 DDBARO CC[NH+](CC)CCN/C=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000022147005 406888618 /nfs/dbraw/zinc/88/86/18/406888618.db2.gz GAZGVCZYLVUBEE-RAXLEYEMSA-N 1 0 304.350 1.819 50 5 DDBARO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)C[NH+](C)C ZINC000191796325 408493843 /nfs/dbraw/zinc/49/38/43/408493843.db2.gz RBRCUOKADXXJFA-JTQLQIEISA-N 1 0 308.382 1.883 50 5 DDBARO CN1CCO[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972356 408654062 /nfs/dbraw/zinc/65/40/62/408654062.db2.gz XDGSXEWKTMOTOX-OAHLLOKOSA-N 1 0 319.361 1.416 50 5 DDBARO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155908899 275592798 /nfs/dbraw/zinc/59/27/98/275592798.db2.gz GFLXPSWZBYTIRK-ZDUSSCGKSA-N 1 0 315.395 1.637 50 5 DDBARO C[NH+](C)CC1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000952884917 775652057 /nfs/dbraw/zinc/65/20/57/775652057.db2.gz RZKZPFOBCWAZSQ-UHFFFAOYSA-N 1 0 322.365 1.515 50 5 DDBARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000097375116 353919535 /nfs/dbraw/zinc/91/95/35/353919535.db2.gz UHESIUPEKFJDTD-VXGBXAGGSA-N 1 0 307.350 1.737 50 5 DDBARO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000585132696 354811090 /nfs/dbraw/zinc/81/10/90/354811090.db2.gz NBXLOWUAFOVJCH-UKRRQHHQSA-N 1 0 320.393 1.581 50 5 DDBARO Cn1cnnc1Sc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000004688287 406726201 /nfs/dbraw/zinc/72/62/01/406726201.db2.gz QFBLRHDHQCQSJX-UHFFFAOYSA-N 1 0 320.378 1.284 50 5 DDBARO CC(C)[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236729425 407765487 /nfs/dbraw/zinc/76/54/87/407765487.db2.gz LHEUECODKFWLKK-AWEZNQCLSA-N 1 0 306.366 1.227 50 5 DDBARO CCS(=O)(=O)c1ccc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000015443740 280031304 /nfs/dbraw/zinc/03/13/04/280031304.db2.gz DXHMBVIBWPKMRR-SNVBAGLBSA-N 1 0 313.379 1.187 50 5 DDBARO Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1C[NH+]1CCCCC1 ZINC000000023258 280259215 /nfs/dbraw/zinc/25/92/15/280259215.db2.gz SUKSAXBKZZSCRI-UHFFFAOYSA-N 1 0 318.333 1.419 50 5 in-vitro DDBARO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000239667337 407903741 /nfs/dbraw/zinc/90/37/41/407903741.db2.gz BPPMEPUCCMZZBC-ZFWWWQNUSA-N 1 0 303.362 1.690 50 5 DDBARO