smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169073732 760573449 /nfs/dbraw/zinc/57/34/49/760573449.db2.gz BAHYVZRVBUBGPV-MRVPVSSYSA-N 2 2 302.294 0.519 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001348973503 954553295 /nfs/dbraw/zinc/55/32/95/954553295.db2.gz SCZVUJJTFIYHMF-GXSJLCMTSA-N 2 2 306.326 0.022 20 5 DCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752104 396996611 /nfs/dbraw/zinc/99/66/11/396996611.db2.gz USGQYHGDXWPRFM-SWHYSGLUSA-N 2 2 309.370 0.225 20 5 DCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752104 396996617 /nfs/dbraw/zinc/99/66/17/396996617.db2.gz USGQYHGDXWPRFM-SWHYSGLUSA-N 2 2 309.370 0.225 20 5 DCBDLP Cc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016423 397014578 /nfs/dbraw/zinc/01/45/78/397014578.db2.gz VDVVJHJHOQIMCI-QWHCGFSZSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016423 397014579 /nfs/dbraw/zinc/01/45/79/397014579.db2.gz VDVVJHJHOQIMCI-QWHCGFSZSA-N 2 2 304.350 0.647 20 5 DCBDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057738 /nfs/dbraw/zinc/05/77/38/397057738.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057746 /nfs/dbraw/zinc/05/77/46/397057746.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057748 /nfs/dbraw/zinc/05/77/48/397057748.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057753 /nfs/dbraw/zinc/05/77/53/397057753.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 2 323.397 0.789 20 5 DCBDLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028475 417414797 /nfs/dbraw/zinc/41/47/97/417414797.db2.gz VAAGBNQZKADJPO-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028475 417414804 /nfs/dbraw/zinc/41/48/04/417414804.db2.gz VAAGBNQZKADJPO-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576524 261175385 /nfs/dbraw/zinc/17/53/85/261175385.db2.gz LUBCKXFWZBOAED-GBXSZLQWSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576524 261175386 /nfs/dbraw/zinc/17/53/86/261175386.db2.gz LUBCKXFWZBOAED-GBXSZLQWSA-N 2 2 304.350 0.709 20 5 DCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923299277 667497326 /nfs/dbraw/zinc/49/73/26/667497326.db2.gz QRUZZYDNTGHLRR-CQDKDKBSSA-N 2 2 306.366 0.567 20 5 DCBDLP Cc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158203534 771740238 /nfs/dbraw/zinc/74/02/38/771740238.db2.gz CUZRRQAWXUYAKT-MRVPVSSYSA-N 2 2 311.729 0.999 20 5 DCBDLP Cc1c[n+]([O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164206877 772625826 /nfs/dbraw/zinc/62/58/26/772625826.db2.gz ISIOBMVNDDOHNY-UHFFFAOYSA-N 2 2 323.397 0.975 20 5 DCBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCCO2 ZINC000591281764 396893231 /nfs/dbraw/zinc/89/32/31/396893231.db2.gz DHUHJUNVNOJRGG-GFCCVEGCSA-N 2 2 323.349 0.834 20 5 DCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752099 396997327 /nfs/dbraw/zinc/99/73/27/396997327.db2.gz USGQYHGDXWPRFM-HONMWMINSA-N 2 2 309.370 0.225 20 5 DCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752099 396997330 /nfs/dbraw/zinc/99/73/30/396997330.db2.gz USGQYHGDXWPRFM-HONMWMINSA-N 2 2 309.370 0.225 20 5 DCBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000598913885 397306563 /nfs/dbraw/zinc/30/65/63/397306563.db2.gz RHMVWSKFPOQNQE-SNVBAGLBSA-N 2 2 311.317 0.841 20 5 DCBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000598913885 397306566 /nfs/dbraw/zinc/30/65/66/397306566.db2.gz RHMVWSKFPOQNQE-SNVBAGLBSA-N 2 2 311.317 0.841 20 5 DCBDLP CN(CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C)CC[NH+](C)C ZINC000344009697 415817682 /nfs/dbraw/zinc/81/76/82/415817682.db2.gz BKTAQFMFHJPIMV-UHFFFAOYSA-N 2 2 312.418 0.644 20 5 DCBDLP CN(CCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)CC[NH+](C)C ZINC000344009697 415817699 /nfs/dbraw/zinc/81/76/99/415817699.db2.gz BKTAQFMFHJPIMV-UHFFFAOYSA-N 2 2 312.418 0.644 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000176240535 416122390 /nfs/dbraw/zinc/12/23/90/416122390.db2.gz HBIRPULHEXHXID-CQSZACIVSA-N 2 2 323.397 0.836 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000176240535 416122393 /nfs/dbraw/zinc/12/23/93/416122393.db2.gz HBIRPULHEXHXID-CQSZACIVSA-N 2 2 323.397 0.836 20 5 DCBDLP [NH3+][C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430952583 417086267 /nfs/dbraw/zinc/08/62/67/417086267.db2.gz QMSRZTJGGBYNRV-JTQLQIEISA-N 2 2 306.322 0.926 20 5 DCBDLP [NH3+][C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430952583 417086276 /nfs/dbraw/zinc/08/62/76/417086276.db2.gz QMSRZTJGGBYNRV-JTQLQIEISA-N 2 2 306.322 0.926 20 5 DCBDLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1OC ZINC000414959989 417317046 /nfs/dbraw/zinc/31/70/46/417317046.db2.gz GMXOCQNDSUQBIM-LBPRGKRZSA-N 2 2 324.381 0.605 20 5 DCBDLP O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607077650 1170381852 /nfs/dbraw/zinc/38/18/52/1170381852.db2.gz QDANZVVMSIOMQH-VXGBXAGGSA-N 2 2 315.337 0.426 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ncc([N+](=O)[O-])n3c2)CC1 ZINC001168736395 753984990 /nfs/dbraw/zinc/98/49/90/753984990.db2.gz GMQRLJOCEUTFSA-UHFFFAOYSA-N 2 2 303.326 0.837 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3nccn3c2)CC1 ZINC001168736767 753989599 /nfs/dbraw/zinc/98/95/99/753989599.db2.gz KFHFHRRDIKZFED-UHFFFAOYSA-N 2 2 303.326 0.837 20 5 DCBDLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134406979 765508225 /nfs/dbraw/zinc/50/82/25/765508225.db2.gz KWQMHPSUFYQTAQ-UHFFFAOYSA-N 2 2 303.322 0.766 20 5 DCBDLP [NH3+]C[C@@]1(Nc2nc(Cl)ncc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160507822 772052675 /nfs/dbraw/zinc/05/26/75/772052675.db2.gz BLIOEFCDJUWBAQ-GFCCVEGCSA-N 2 2 312.761 0.873 20 5 DCBDLP CC[NH+](CC)CCNC(=[NH2+])Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163128605 772468958 /nfs/dbraw/zinc/46/89/58/772468958.db2.gz MYMCEXQMQWFWBU-UHFFFAOYSA-N 2 2 310.358 0.815 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561405 396155487 /nfs/dbraw/zinc/15/54/87/396155487.db2.gz VODBJWNXBHNWOA-WCQYABFASA-N 2 2 304.350 0.878 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561405 396155488 /nfs/dbraw/zinc/15/54/88/396155488.db2.gz VODBJWNXBHNWOA-WCQYABFASA-N 2 2 304.350 0.878 20 5 DCBDLP COc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600776249 396942531 /nfs/dbraw/zinc/94/25/31/396942531.db2.gz QISVDLKSJKWYNP-UHFFFAOYSA-N 2 2 319.321 0.848 20 5 DCBDLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579246418 397542475 /nfs/dbraw/zinc/54/24/75/397542475.db2.gz HIKBHUMDQPNUQO-AWEZNQCLSA-N 2 2 309.370 0.082 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347059463 287159694 /nfs/dbraw/zinc/15/96/94/287159694.db2.gz XCYXUJDTYPOEKF-UHFFFAOYSA-N 2 2 306.366 0.767 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347059463 287159695 /nfs/dbraw/zinc/15/96/95/287159695.db2.gz XCYXUJDTYPOEKF-UHFFFAOYSA-N 2 2 306.366 0.767 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000174858486 416087748 /nfs/dbraw/zinc/08/77/48/416087748.db2.gz UKLBZMCVFKKZDB-AWEZNQCLSA-N 2 2 323.397 0.836 20 5 DCBDLP Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129293 416197703 /nfs/dbraw/zinc/19/77/03/416197703.db2.gz RWAUOWJPJWFWQB-LBPRGKRZSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129293 416197707 /nfs/dbraw/zinc/19/77/07/416197707.db2.gz RWAUOWJPJWFWQB-LBPRGKRZSA-N 2 2 322.365 0.891 20 5 DCBDLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163216 416204480 /nfs/dbraw/zinc/20/44/80/416204480.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 2 2 311.338 0.465 20 5 DCBDLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163216 416204483 /nfs/dbraw/zinc/20/44/83/416204483.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 2 2 311.338 0.465 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675626 261175342 /nfs/dbraw/zinc/17/53/42/261175342.db2.gz HHICIRQNKNRILC-YBJDMEARSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675626 261175343 /nfs/dbraw/zinc/17/53/43/261175343.db2.gz HHICIRQNKNRILC-YBJDMEARSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066443 /nfs/dbraw/zinc/06/64/43/669066443.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 2 2 306.366 0.783 20 5 DCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066450 /nfs/dbraw/zinc/06/64/50/669066450.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066457 /nfs/dbraw/zinc/06/64/57/669066457.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066464 /nfs/dbraw/zinc/06/64/64/669066464.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 2 2 306.366 0.783 20 5 DCBDLP [NH3+]C1CC[NH+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001580189435 1165531833 /nfs/dbraw/zinc/53/18/33/1165531833.db2.gz BXLMBDHEIILCSD-UHFFFAOYSA-N 2 2 321.381 0.546 20 5 DCBDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001147900676 767880007 /nfs/dbraw/zinc/88/00/07/767880007.db2.gz UFMVEGSBOBQLRO-UHFFFAOYSA-N 2 2 323.378 0.838 20 5 DCBDLP Cc1nc(Cl)c([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914909 771692115 /nfs/dbraw/zinc/69/21/15/771692115.db2.gz OVJQDORMIQWXMR-UHFFFAOYSA-N 2 2 313.749 0.941 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001262568059 947728496 /nfs/dbraw/zinc/72/84/96/947728496.db2.gz KTNXHIMGAUFWIG-RBSFLKMASA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001262568059 947728501 /nfs/dbraw/zinc/72/85/01/947728501.db2.gz KTNXHIMGAUFWIG-RBSFLKMASA-N 2 2 323.397 0.759 20 5 DCBDLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491791 291307502 /nfs/dbraw/zinc/30/75/02/291307502.db2.gz ZCCCEACUDUYBIT-QWHCGFSZSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491791 291307505 /nfs/dbraw/zinc/30/75/05/291307505.db2.gz ZCCCEACUDUYBIT-QWHCGFSZSA-N 2 2 304.350 0.647 20 5 DCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000572631235 291580325 /nfs/dbraw/zinc/58/03/25/291580325.db2.gz BYIZGROJGXEZRU-LBPRGKRZSA-N 2 2 306.322 0.821 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000581483790 396558445 /nfs/dbraw/zinc/55/84/45/396558445.db2.gz HETYKFNPHGLYOR-CYBMUJFWSA-N 2 2 320.353 0.639 20 5 DCBDLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390996 397817323 /nfs/dbraw/zinc/81/73/23/397817323.db2.gz GRVHIBHOIPURID-TZMCWYRMSA-N 2 2 311.386 0.615 20 5 DCBDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390996 397817326 /nfs/dbraw/zinc/81/73/26/397817326.db2.gz GRVHIBHOIPURID-TZMCWYRMSA-N 2 2 311.386 0.615 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000120763268 415783836 /nfs/dbraw/zinc/78/38/36/415783836.db2.gz GTWRYOIZPRXMKZ-GJBLVYBDSA-N 2 2 304.350 0.709 20 5 DCBDLP CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368176866 277004380 /nfs/dbraw/zinc/00/43/80/277004380.db2.gz CPVZRCYHZYSVFG-CYBMUJFWSA-N 2 2 320.397 0.990 20 5 DCBDLP CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368176866 277004381 /nfs/dbraw/zinc/00/43/81/277004381.db2.gz CPVZRCYHZYSVFG-CYBMUJFWSA-N 2 2 320.397 0.990 20 5 DCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001627131441 1171497599 /nfs/dbraw/zinc/49/75/99/1171497599.db2.gz NTKAQXWQHVWDFD-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001627131441 1171497605 /nfs/dbraw/zinc/49/76/05/1171497605.db2.gz NTKAQXWQHVWDFD-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147871730 767866132 /nfs/dbraw/zinc/86/61/32/767866132.db2.gz JRQZKWCAKMJZIF-UHFFFAOYSA-N 2 2 317.349 0.777 20 5 DCBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c1F ZINC001173187825 769556519 /nfs/dbraw/zinc/55/65/19/769556519.db2.gz GZVXUHFSVRVWLD-JMJZKYOTSA-N 2 2 313.329 0.989 20 5 DCBDLP Cc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155384848 770484846 /nfs/dbraw/zinc/48/48/46/770484846.db2.gz WOANCMOXYKXBQJ-GFCCVEGCSA-N 2 2 306.370 0.553 20 5 DCBDLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268889 771751044 /nfs/dbraw/zinc/75/10/44/771751044.db2.gz NQTBGVPXNQBFIW-LLVKDONJSA-N 2 2 306.370 0.695 20 5 DCBDLP Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268889 771751047 /nfs/dbraw/zinc/75/10/47/771751047.db2.gz NQTBGVPXNQBFIW-LLVKDONJSA-N 2 2 306.370 0.695 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488279 945418652 /nfs/dbraw/zinc/41/86/52/945418652.db2.gz JLDSDOGKKCPDJI-WCQYABFASA-N 2 2 308.382 0.685 20 5 DCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000593902094 397472228 /nfs/dbraw/zinc/47/22/28/397472228.db2.gz NHMBODYVLCWOBF-ZDUSSCGKSA-N 2 2 309.370 0.402 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342389792 415162735 /nfs/dbraw/zinc/16/27/35/415162735.db2.gz PBVDLWHAPCQMGW-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342389792 415162741 /nfs/dbraw/zinc/16/27/41/415162741.db2.gz PBVDLWHAPCQMGW-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516937918 416760239 /nfs/dbraw/zinc/76/02/39/416760239.db2.gz GTDGZHKZRCKHCW-KBPBESRZSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516937918 416760248 /nfs/dbraw/zinc/76/02/48/416760248.db2.gz GTDGZHKZRCKHCW-KBPBESRZSA-N 2 2 304.350 0.647 20 5 DCBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414966579 417316256 /nfs/dbraw/zinc/31/62/56/417316256.db2.gz OOKQFUCMGKUOCG-AWEZNQCLSA-N 2 2 308.382 0.987 20 5 DCBDLP O=[N+]([O-])CC[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000905060197 663529384 /nfs/dbraw/zinc/52/93/84/663529384.db2.gz LADOAGVMOHOFRY-UHFFFAOYSA-N 2 2 309.366 0.764 20 5 DCBDLP CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000839703449 668135713 /nfs/dbraw/zinc/13/57/13/668135713.db2.gz DLEODPWIJVAZER-MGPQQGTHSA-N 2 2 310.398 0.279 20 5 DCBDLP CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000839703449 668135714 /nfs/dbraw/zinc/13/57/14/668135714.db2.gz DLEODPWIJVAZER-MGPQQGTHSA-N 2 2 310.398 0.279 20 5 DCBDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147871766 767867250 /nfs/dbraw/zinc/86/72/50/767867250.db2.gz LIDFBHBLMSYVJQ-UHFFFAOYSA-N 2 2 317.349 0.777 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001169071269 760571209 /nfs/dbraw/zinc/57/12/09/760571209.db2.gz JGXNNBATYAJRQY-LLVKDONJSA-N 2 2 317.349 0.916 20 5 DCBDLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001473963303 1016994430 /nfs/dbraw/zinc/99/44/30/1016994430.db2.gz SQJJMSPCLFVVGA-UHFFFAOYSA-N 2 2 322.365 0.467 20 5 DCBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)OCCO2 ZINC000591281765 396893957 /nfs/dbraw/zinc/89/39/57/396893957.db2.gz DHUHJUNVNOJRGG-LBPRGKRZSA-N 2 2 323.349 0.834 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600735780 396934027 /nfs/dbraw/zinc/93/40/27/396934027.db2.gz VIDRMIAUVMULNN-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600735780 396934031 /nfs/dbraw/zinc/93/40/31/396934031.db2.gz VIDRMIAUVMULNN-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592476783 397187340 /nfs/dbraw/zinc/18/73/40/397187340.db2.gz ZEZVACSNPKJNDL-ZDUSSCGKSA-N 2 2 318.377 0.962 20 5 DCBDLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475154 397187621 /nfs/dbraw/zinc/18/76/21/397187621.db2.gz WKIXYVJXWBASMV-BXUZGUMPSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475154 397187623 /nfs/dbraw/zinc/18/76/23/397187623.db2.gz WKIXYVJXWBASMV-BXUZGUMPSA-N 2 2 322.365 0.971 20 5 DCBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000420344905 287293187 /nfs/dbraw/zinc/29/31/87/287293187.db2.gz YSBYNUDBGJHANL-UHFFFAOYSA-N 2 2 304.350 0.905 20 5 DCBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000420344905 287293190 /nfs/dbraw/zinc/29/31/90/287293190.db2.gz YSBYNUDBGJHANL-UHFFFAOYSA-N 2 2 304.350 0.905 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686165 262061345 /nfs/dbraw/zinc/06/13/45/262061345.db2.gz UMWHDUDYCSQVLQ-HNNXBMFYSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686165 262061346 /nfs/dbraw/zinc/06/13/46/262061346.db2.gz UMWHDUDYCSQVLQ-HNNXBMFYSA-N 2 2 318.377 0.991 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689095 272204848 /nfs/dbraw/zinc/20/48/48/272204848.db2.gz QQEZWARWMQNXRG-DXTPNHAXSA-N 2 2 322.340 0.848 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689095 272204850 /nfs/dbraw/zinc/20/48/50/272204850.db2.gz QQEZWARWMQNXRG-DXTPNHAXSA-N 2 2 322.340 0.848 20 5 DCBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000906614186 663623952 /nfs/dbraw/zinc/62/39/52/663623952.db2.gz JNHLHZXUWNQHSH-HUUCEWRRSA-N 2 2 309.366 0.675 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152169 667870043 /nfs/dbraw/zinc/87/00/43/667870043.db2.gz ZZYROOPDXHONMK-BDAKNGLRSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152169 667870048 /nfs/dbraw/zinc/87/00/48/667870048.db2.gz ZZYROOPDXHONMK-BDAKNGLRSA-N 2 2 307.276 0.860 20 5 DCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855414766 670710910 /nfs/dbraw/zinc/71/09/10/670710910.db2.gz LHALGXUZYACFSG-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855414766 670710914 /nfs/dbraw/zinc/71/09/14/670710914.db2.gz LHALGXUZYACFSG-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843367289 672087552 /nfs/dbraw/zinc/08/75/52/672087552.db2.gz AXYIMFANZNNKIF-UHFFFAOYSA-N 2 2 314.317 0.316 20 5 DCBDLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843367289 672087553 /nfs/dbraw/zinc/08/75/53/672087553.db2.gz AXYIMFANZNNKIF-UHFFFAOYSA-N 2 2 314.317 0.316 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001169073045 760572222 /nfs/dbraw/zinc/57/22/22/760572222.db2.gz YNPPYTWJXNPEAA-SSDOTTSWSA-N 2 2 320.334 0.647 20 5 DCBDLP COC(=O)[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[NH2+]1 ZINC001169132412 760590495 /nfs/dbraw/zinc/59/04/95/760590495.db2.gz LSFWKEXSWKFJNT-PWSUYJOCSA-N 2 2 306.322 0.513 20 5 DCBDLP CC(C)Oc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158209152 771741688 /nfs/dbraw/zinc/74/16/88/771741688.db2.gz IJRMYZSEUQGDMN-SNVBAGLBSA-N 2 2 321.337 0.825 20 5 DCBDLP Cc1ncc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258773 771747722 /nfs/dbraw/zinc/74/77/22/771747722.db2.gz ITUWMGYIZTTXLJ-LLVKDONJSA-N 2 2 306.370 0.695 20 5 DCBDLP Cc1ncc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258773 771747723 /nfs/dbraw/zinc/74/77/23/771747723.db2.gz ITUWMGYIZTTXLJ-LLVKDONJSA-N 2 2 306.370 0.695 20 5 DCBDLP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000566106341 291270127 /nfs/dbraw/zinc/27/01/27/291270127.db2.gz MVMKKUUIJXDNNJ-UHFFFAOYSA-N 2 2 324.362 0.855 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490238 291307948 /nfs/dbraw/zinc/30/79/48/291307948.db2.gz FHHMTUQITGGQHX-XEKFUKFUSA-N 2 2 316.361 0.852 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490238 291307950 /nfs/dbraw/zinc/30/79/50/291307950.db2.gz FHHMTUQITGGQHX-XEKFUKFUSA-N 2 2 316.361 0.852 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567180238 291341738 /nfs/dbraw/zinc/34/17/38/291341738.db2.gz CZOVDIYMHZQWMI-NQBHXWOUSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567180238 291341740 /nfs/dbraw/zinc/34/17/40/291341740.db2.gz CZOVDIYMHZQWMI-NQBHXWOUSA-N 2 2 304.350 0.900 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902259 396679489 /nfs/dbraw/zinc/67/94/89/396679489.db2.gz PVYFUHOMOCTZEO-UHFFFAOYSA-N 2 2 322.365 0.546 20 5 DCBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453336 397822639 /nfs/dbraw/zinc/82/26/39/397822639.db2.gz NRBHQMHEHSTKSX-AWEZNQCLSA-N 2 2 322.413 0.503 20 5 DCBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453336 397822642 /nfs/dbraw/zinc/82/26/42/397822642.db2.gz NRBHQMHEHSTKSX-AWEZNQCLSA-N 2 2 322.413 0.503 20 5 DCBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH+](C)CC1 ZINC000338370698 416087347 /nfs/dbraw/zinc/08/73/47/416087347.db2.gz BNTIZRQUJIGPOF-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH+](C)CC1 ZINC000338370698 416087349 /nfs/dbraw/zinc/08/73/49/416087349.db2.gz BNTIZRQUJIGPOF-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934524 417083516 /nfs/dbraw/zinc/08/35/16/417083516.db2.gz MZKBDLSLMZKUQA-NSHDSACASA-N 2 2 304.350 0.765 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934524 417083522 /nfs/dbraw/zinc/08/35/22/417083522.db2.gz MZKBDLSLMZKUQA-NSHDSACASA-N 2 2 304.350 0.765 20 5 DCBDLP C[N@@H+]1CCc2c(-n3cnc(C[NH3+])cc3=N)ccc([N+](=O)[O-])c2C1 ZINC001167362284 747134859 /nfs/dbraw/zinc/13/48/59/747134859.db2.gz SJOYOKZESBOWIO-UHFFFAOYSA-N 2 2 314.349 0.707 20 5 DCBDLP C[N@H+]1CCc2c(-n3cnc(C[NH3+])cc3=N)ccc([N+](=O)[O-])c2C1 ZINC001167362284 747134863 /nfs/dbraw/zinc/13/48/63/747134863.db2.gz SJOYOKZESBOWIO-UHFFFAOYSA-N 2 2 314.349 0.707 20 5 DCBDLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001155371618 770480446 /nfs/dbraw/zinc/48/04/46/770480446.db2.gz CBHPOLBGHINVQH-LLVKDONJSA-N 2 2 309.345 0.988 20 5 DCBDLP Cc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155384849 770484478 /nfs/dbraw/zinc/48/44/78/770484478.db2.gz WOANCMOXYKXBQJ-LBPRGKRZSA-N 2 2 306.370 0.553 20 5 DCBDLP Nc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260018 771748920 /nfs/dbraw/zinc/74/89/20/771748920.db2.gz BYEKXGFAKBTUEV-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260018 771748922 /nfs/dbraw/zinc/74/89/22/771748922.db2.gz BYEKXGFAKBTUEV-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001246307460 945380278 /nfs/dbraw/zinc/38/02/78/945380278.db2.gz MTDSEGLOQVLBQA-ZKYQVNSYSA-N 2 2 309.366 0.704 20 5 DCBDLP COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565616 945433537 /nfs/dbraw/zinc/43/35/37/945433537.db2.gz IAHVEMWDUDQLHW-WDBKCZKBSA-N 2 2 309.366 0.928 20 5 DCBDLP COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565616 945433538 /nfs/dbraw/zinc/43/35/38/945433538.db2.gz IAHVEMWDUDQLHW-WDBKCZKBSA-N 2 2 309.366 0.928 20 5 DCBDLP C[NH+]1CCN(C2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254611038 946415481 /nfs/dbraw/zinc/41/54/81/946415481.db2.gz OSHPURZBVJLMSJ-INIZCTEOSA-N 2 2 316.405 0.994 20 5 DCBDLP O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125950937 395908309 /nfs/dbraw/zinc/90/83/09/395908309.db2.gz GKVJUMKOCXVHQQ-NSHDSACASA-N 2 2 301.306 0.872 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000595471129 396613526 /nfs/dbraw/zinc/61/35/26/396613526.db2.gz XKOUHUOGYMMJHP-AWEZNQCLSA-N 2 2 323.397 0.978 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000595471129 396613529 /nfs/dbraw/zinc/61/35/29/396613529.db2.gz XKOUHUOGYMMJHP-AWEZNQCLSA-N 2 2 323.397 0.978 20 5 DCBDLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390995 397817075 /nfs/dbraw/zinc/81/70/75/397817075.db2.gz GRVHIBHOIPURID-OCCSQVGLSA-N 2 2 311.386 0.615 20 5 DCBDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390995 397817077 /nfs/dbraw/zinc/81/70/77/397817077.db2.gz GRVHIBHOIPURID-OCCSQVGLSA-N 2 2 311.386 0.615 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000174858498 416088332 /nfs/dbraw/zinc/08/83/32/416088332.db2.gz UKLBZMCVFKKZDB-CQSZACIVSA-N 2 2 323.397 0.836 20 5 DCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593906544 416548817 /nfs/dbraw/zinc/54/88/17/416548817.db2.gz IYFYFYLUTJGHSY-JTQLQIEISA-N 2 2 306.326 0.689 20 5 DCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923353205 667514761 /nfs/dbraw/zinc/51/47/61/667514761.db2.gz IHUQRLQNDVYLMC-HZPDHXFCSA-N 2 2 320.393 0.608 20 5 DCBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000817657125 670928096 /nfs/dbraw/zinc/92/80/96/670928096.db2.gz UYXJIVZUNNMTEU-HUUCEWRRSA-N 2 2 324.425 0.670 20 5 DCBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000817657125 670928098 /nfs/dbraw/zinc/92/80/98/670928098.db2.gz UYXJIVZUNNMTEU-HUUCEWRRSA-N 2 2 324.425 0.670 20 5 DCBDLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766971 1164786167 /nfs/dbraw/zinc/78/61/67/1164786167.db2.gz FAUJYTAHMXKVSJ-HIFRSBDPSA-N 2 2 306.366 0.979 20 5 DCBDLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766971 1164786174 /nfs/dbraw/zinc/78/61/74/1164786174.db2.gz FAUJYTAHMXKVSJ-HIFRSBDPSA-N 2 2 306.366 0.979 20 5 DCBDLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766970 1164787290 /nfs/dbraw/zinc/78/72/90/1164787290.db2.gz FAUJYTAHMXKVSJ-DZGCQCFKSA-N 2 2 306.366 0.979 20 5 DCBDLP CC[N@H+]1CC[C@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766970 1164787298 /nfs/dbraw/zinc/78/72/98/1164787298.db2.gz FAUJYTAHMXKVSJ-DZGCQCFKSA-N 2 2 306.366 0.979 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001169075427 760574945 /nfs/dbraw/zinc/57/49/45/760574945.db2.gz GVLZCMLZDAIPJO-SECBINFHSA-N 2 2 302.294 0.290 20 5 DCBDLP COc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158204647 763626533 /nfs/dbraw/zinc/62/65/33/763626533.db2.gz SMELCYPKBXTZKZ-SECBINFHSA-N 2 2 307.310 0.355 20 5 DCBDLP Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218859442 774316857 /nfs/dbraw/zinc/31/68/57/774316857.db2.gz NFIPCGRXQHXRJS-FVMDXXJSSA-N 2 2 322.372 0.993 20 5 DCBDLP [NH3+]C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000566244371 291287254 /nfs/dbraw/zinc/28/72/54/291287254.db2.gz LPEVZJPGECJEHN-UHFFFAOYSA-N 2 2 313.379 0.840 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496168 291308749 /nfs/dbraw/zinc/30/87/49/291308749.db2.gz PFBAHRYNBOLLFD-NEPJUHHUSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496168 291308752 /nfs/dbraw/zinc/30/87/52/291308752.db2.gz PFBAHRYNBOLLFD-NEPJUHHUSA-N 2 2 320.349 0.217 20 5 DCBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCO2)n1 ZINC000423545533 240202820 /nfs/dbraw/zinc/20/28/20/240202820.db2.gz CXROHTYNQGUDNB-JHJVBQTASA-N 2 2 309.370 0.853 20 5 DCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000341131231 253348647 /nfs/dbraw/zinc/34/86/47/253348647.db2.gz TZGSBWURYHSCRW-UHFFFAOYSA-N 2 2 324.429 0.786 20 5 DCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000341131231 253348649 /nfs/dbraw/zinc/34/86/49/253348649.db2.gz TZGSBWURYHSCRW-UHFFFAOYSA-N 2 2 324.429 0.786 20 5 DCBDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072605982 415414763 /nfs/dbraw/zinc/41/47/63/415414763.db2.gz XFHHVDOJJKMWSA-AWEZNQCLSA-N 2 2 311.386 0.615 20 5 DCBDLP C[N@H+](CCCO)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246279 416121350 /nfs/dbraw/zinc/12/13/50/416121350.db2.gz MZBFEAVHXPSGDB-UHFFFAOYSA-N 2 2 311.386 0.570 20 5 DCBDLP C[N@@H+](CCCO)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246279 416121352 /nfs/dbraw/zinc/12/13/52/416121352.db2.gz MZBFEAVHXPSGDB-UHFFFAOYSA-N 2 2 311.386 0.570 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000176240515 416122533 /nfs/dbraw/zinc/12/25/33/416122533.db2.gz HBIRPULHEXHXID-AWEZNQCLSA-N 2 2 323.397 0.836 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000176240515 416122535 /nfs/dbraw/zinc/12/25/35/416122535.db2.gz HBIRPULHEXHXID-AWEZNQCLSA-N 2 2 323.397 0.836 20 5 DCBDLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000415094520 417328937 /nfs/dbraw/zinc/32/89/37/417328937.db2.gz KDIJSJDLEJXIMG-LLVKDONJSA-N 2 2 311.338 0.690 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576530 261175115 /nfs/dbraw/zinc/17/51/15/261175115.db2.gz LUBCKXFWZBOAED-HJHHMULASA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576530 261175117 /nfs/dbraw/zinc/17/51/17/261175117.db2.gz LUBCKXFWZBOAED-HJHHMULASA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675622 261175555 /nfs/dbraw/zinc/17/55/55/261175555.db2.gz HHICIRQNKNRILC-KTRBRXNASA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675622 261175557 /nfs/dbraw/zinc/17/55/57/261175557.db2.gz HHICIRQNKNRILC-KTRBRXNASA-N 2 2 304.350 0.709 20 5 DCBDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582117658 333293663 /nfs/dbraw/zinc/29/36/63/333293663.db2.gz ZFCBLFPZYRAVRB-AWEZNQCLSA-N 2 2 305.338 0.688 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895769206 662214045 /nfs/dbraw/zinc/21/40/45/662214045.db2.gz OENFVCUWEYKGPE-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895769206 662214047 /nfs/dbraw/zinc/21/40/47/662214047.db2.gz OENFVCUWEYKGPE-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895769206 662214048 /nfs/dbraw/zinc/21/40/48/662214048.db2.gz OENFVCUWEYKGPE-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895769206 662214051 /nfs/dbraw/zinc/21/40/51/662214051.db2.gz OENFVCUWEYKGPE-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP Cn1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001611958669 1171360643 /nfs/dbraw/zinc/36/06/43/1171360643.db2.gz PLUDVWBXAMHCIY-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001611958669 1171360649 /nfs/dbraw/zinc/36/06/49/1171360649.db2.gz PLUDVWBXAMHCIY-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170343618 762623702 /nfs/dbraw/zinc/62/37/02/762623702.db2.gz VNYZDGOYQZEKKZ-UHFFFAOYSA-N 2 2 303.322 0.899 20 5 DCBDLP COc1c(F)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169073210 760571936 /nfs/dbraw/zinc/57/19/36/760571936.db2.gz CQQDQKFQNJNFKX-MRVPVSSYSA-N 2 2 310.285 0.790 20 5 DCBDLP C[NH+](C)C1(CNc2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH+](C)CC1 ZINC001156175784 770739695 /nfs/dbraw/zinc/73/96/95/770739695.db2.gz FOSUETAGQAGUOG-UHFFFAOYSA-N 2 2 309.370 0.666 20 5 DCBDLP COc1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157915400 771693416 /nfs/dbraw/zinc/69/34/16/771693416.db2.gz VGCYARXKTYIDDX-UHFFFAOYSA-N 2 2 308.342 0.901 20 5 DCBDLP Nc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262725 771749808 /nfs/dbraw/zinc/74/98/08/771749808.db2.gz UYLUZXSTTCWQLL-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262725 771749811 /nfs/dbraw/zinc/74/98/11/771749811.db2.gz UYLUZXSTTCWQLL-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000315634833 291253556 /nfs/dbraw/zinc/25/35/56/291253556.db2.gz VKVBVQGZTOZVKX-ZDUSSCGKSA-N 2 2 308.342 0.419 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000572846169 291593265 /nfs/dbraw/zinc/59/32/65/291593265.db2.gz QENSCXQWPRWZCY-UHFFFAOYSA-N 2 2 323.397 0.618 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797724 417302891 /nfs/dbraw/zinc/30/28/91/417302891.db2.gz BLZWYBRFMHKXFL-GFCCVEGCSA-N 2 2 323.349 0.974 20 5 DCBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640447 661342042 /nfs/dbraw/zinc/34/20/42/661342042.db2.gz AFSBZLUNXUTBEN-GFCCVEGCSA-N 2 2 323.349 0.927 20 5 DCBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640447 661342044 /nfs/dbraw/zinc/34/20/44/661342044.db2.gz AFSBZLUNXUTBEN-GFCCVEGCSA-N 2 2 323.349 0.927 20 5 DCBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000906614185 663623896 /nfs/dbraw/zinc/62/38/96/663623896.db2.gz JNHLHZXUWNQHSH-GJZGRUSLSA-N 2 2 309.366 0.675 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151940 667869930 /nfs/dbraw/zinc/86/99/30/667869930.db2.gz NRAIOUIAYDXRAQ-WPRPVWTQSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151940 667869934 /nfs/dbraw/zinc/86/99/34/667869934.db2.gz NRAIOUIAYDXRAQ-WPRPVWTQSA-N 2 2 307.276 0.860 20 5 DCBDLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135754667 766081260 /nfs/dbraw/zinc/08/12/60/766081260.db2.gz GPQIUOCEWKTTMI-UHFFFAOYSA-N 2 2 303.322 0.766 20 5 DCBDLP C[NH+]1CCN(C2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254611039 946415676 /nfs/dbraw/zinc/41/56/76/946415676.db2.gz OSHPURZBVJLMSJ-MRXNPFEDSA-N 2 2 316.405 0.994 20 5 DCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285487257 131173389 /nfs/dbraw/zinc/17/33/89/131173389.db2.gz IMMCBTXXAOWXBC-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285487257 131173391 /nfs/dbraw/zinc/17/33/91/131173391.db2.gz IMMCBTXXAOWXBC-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP Cn1cc[nH+]c1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000089926666 395716417 /nfs/dbraw/zinc/71/64/17/395716417.db2.gz CTIIIAMFMMGEEO-UHFFFAOYSA-N 2 2 305.342 0.347 20 5 DCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600735811 396933934 /nfs/dbraw/zinc/93/39/34/396933934.db2.gz VULSXJTWPDDYEE-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600735811 396933941 /nfs/dbraw/zinc/93/39/41/396933941.db2.gz VULSXJTWPDDYEE-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571589 397782386 /nfs/dbraw/zinc/78/23/86/397782386.db2.gz FDZXCNHWLGLINH-NSHDSACASA-N 2 2 321.381 0.821 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571589 397782391 /nfs/dbraw/zinc/78/23/91/397782391.db2.gz FDZXCNHWLGLINH-NSHDSACASA-N 2 2 321.381 0.821 20 5 DCBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138765 415264909 /nfs/dbraw/zinc/26/49/09/415264909.db2.gz LVKVMMBFFFLAKG-CYBMUJFWSA-N 2 2 322.413 0.540 20 5 DCBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138765 415264915 /nfs/dbraw/zinc/26/49/15/415264915.db2.gz LVKVMMBFFFLAKG-CYBMUJFWSA-N 2 2 322.413 0.540 20 5 DCBDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072605986 415416187 /nfs/dbraw/zinc/41/61/87/415416187.db2.gz XFHHVDOJJKMWSA-CQSZACIVSA-N 2 2 311.386 0.615 20 5 DCBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485221 416656990 /nfs/dbraw/zinc/65/69/90/416656990.db2.gz OQISVUGDCOFIJZ-AWEZNQCLSA-N 2 2 322.413 0.503 20 5 DCBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485221 416656993 /nfs/dbraw/zinc/65/69/93/416656993.db2.gz OQISVUGDCOFIJZ-AWEZNQCLSA-N 2 2 322.413 0.503 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069237 416992892 /nfs/dbraw/zinc/99/28/92/416992892.db2.gz CZCKOANKISPCGO-GXTWGEPZSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069237 416992905 /nfs/dbraw/zinc/99/29/05/416992905.db2.gz CZCKOANKISPCGO-GXTWGEPZSA-N 2 2 320.349 0.217 20 5 DCBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000430597388 417048099 /nfs/dbraw/zinc/04/80/99/417048099.db2.gz AFRWDWQEKLHMMU-UHFFFAOYSA-N 2 2 322.365 0.337 20 5 DCBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000430597388 417048108 /nfs/dbraw/zinc/04/81/08/417048108.db2.gz AFRWDWQEKLHMMU-UHFFFAOYSA-N 2 2 322.365 0.337 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000387858635 333181055 /nfs/dbraw/zinc/18/10/55/333181055.db2.gz GTWRYOIZPRXMKZ-GEXIGZQTSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000387858635 333181057 /nfs/dbraw/zinc/18/10/57/333181057.db2.gz GTWRYOIZPRXMKZ-GEXIGZQTSA-N 2 2 304.350 0.709 20 5 DCBDLP CN(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169074763 760574989 /nfs/dbraw/zinc/57/49/89/760574989.db2.gz NEHPXDICLPSBCM-SNVBAGLBSA-N 2 2 305.338 0.709 20 5 DCBDLP COc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155372696 770479552 /nfs/dbraw/zinc/47/95/52/770479552.db2.gz IZCHHRVRAPWGCW-LBPRGKRZSA-N 2 2 321.381 0.858 20 5 DCBDLP Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218858037 774316818 /nfs/dbraw/zinc/31/68/18/774316818.db2.gz USEIJFWNFURDGF-VIFPVBQESA-N 2 2 310.361 0.980 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490237 291307618 /nfs/dbraw/zinc/30/76/18/291307618.db2.gz FHHMTUQITGGQHX-SVDKCWMDSA-N 2 2 316.361 0.852 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490237 291307620 /nfs/dbraw/zinc/30/76/20/291307620.db2.gz FHHMTUQITGGQHX-SVDKCWMDSA-N 2 2 316.361 0.852 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563438382 396736658 /nfs/dbraw/zinc/73/66/58/396736658.db2.gz CZXPKKSARFZORE-OLZOCXBDSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563438382 396736662 /nfs/dbraw/zinc/73/66/62/396736662.db2.gz CZXPKKSARFZORE-OLZOCXBDSA-N 2 2 320.349 0.347 20 5 DCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752095 396997000 /nfs/dbraw/zinc/99/70/00/396997000.db2.gz USGQYHGDXWPRFM-DDTOSNHZSA-N 2 2 309.370 0.225 20 5 DCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752095 396997004 /nfs/dbraw/zinc/99/70/04/396997004.db2.gz USGQYHGDXWPRFM-DDTOSNHZSA-N 2 2 309.370 0.225 20 5 DCBDLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787550 397486958 /nfs/dbraw/zinc/48/69/58/397486958.db2.gz SCGFXEQGWBPVOI-RYUDHWBXSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787550 397486964 /nfs/dbraw/zinc/48/69/64/397486964.db2.gz SCGFXEQGWBPVOI-RYUDHWBXSA-N 2 2 320.349 0.347 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571767 397782676 /nfs/dbraw/zinc/78/26/76/397782676.db2.gz IQRVHORJQOTJMU-NSHDSACASA-N 2 2 321.381 0.821 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571767 397782678 /nfs/dbraw/zinc/78/26/78/397782678.db2.gz IQRVHORJQOTJMU-NSHDSACASA-N 2 2 321.381 0.821 20 5 DCBDLP CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609620242 397786218 /nfs/dbraw/zinc/78/62/18/397786218.db2.gz MSEBOYVHILKDRL-CYBMUJFWSA-N 2 2 322.413 0.933 20 5 DCBDLP CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609620242 397786224 /nfs/dbraw/zinc/78/62/24/397786224.db2.gz MSEBOYVHILKDRL-CYBMUJFWSA-N 2 2 322.413 0.933 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068893 416535675 /nfs/dbraw/zinc/53/56/75/416535675.db2.gz PZSHCYJOAORYQQ-AAEUAGOBSA-N 2 2 320.353 0.375 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068893 416535680 /nfs/dbraw/zinc/53/56/80/416535680.db2.gz PZSHCYJOAORYQQ-AAEUAGOBSA-N 2 2 320.353 0.375 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000519538265 416910319 /nfs/dbraw/zinc/91/03/19/416910319.db2.gz IUNOYLOEIXRUES-LBPRGKRZSA-N 2 2 321.381 0.498 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000519538265 416910327 /nfs/dbraw/zinc/91/03/27/416910327.db2.gz IUNOYLOEIXRUES-LBPRGKRZSA-N 2 2 321.381 0.498 20 5 DCBDLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028474 417414989 /nfs/dbraw/zinc/41/49/89/417414989.db2.gz VAAGBNQZKADJPO-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028474 417414992 /nfs/dbraw/zinc/41/49/92/417414992.db2.gz VAAGBNQZKADJPO-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570663714 417378405 /nfs/dbraw/zinc/37/84/05/417378405.db2.gz SIMDXVQCSQVVDL-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570663714 417378411 /nfs/dbraw/zinc/37/84/11/417378411.db2.gz SIMDXVQCSQVVDL-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373768 522803652 /nfs/dbraw/zinc/80/36/52/522803652.db2.gz GYTBCFGOEOTPNB-CYBMUJFWSA-N 2 2 308.342 0.371 20 5 DCBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373768 522803661 /nfs/dbraw/zinc/80/36/61/522803661.db2.gz GYTBCFGOEOTPNB-CYBMUJFWSA-N 2 2 308.342 0.371 20 5 DCBDLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766973 1164786870 /nfs/dbraw/zinc/78/68/70/1164786870.db2.gz FAUJYTAHMXKVSJ-ZFWWWQNUSA-N 2 2 306.366 0.979 20 5 DCBDLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766973 1164786880 /nfs/dbraw/zinc/78/68/80/1164786880.db2.gz FAUJYTAHMXKVSJ-ZFWWWQNUSA-N 2 2 306.366 0.979 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001262568057 947729159 /nfs/dbraw/zinc/72/91/59/947729159.db2.gz KTNXHIMGAUFWIG-KFWWJZLASA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001262568057 947729168 /nfs/dbraw/zinc/72/91/68/947729168.db2.gz KTNXHIMGAUFWIG-KFWWJZLASA-N 2 2 323.397 0.759 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496169 291308609 /nfs/dbraw/zinc/30/86/09/291308609.db2.gz PFBAHRYNBOLLFD-NWDGAFQWSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496169 291308610 /nfs/dbraw/zinc/30/86/10/291308610.db2.gz PFBAHRYNBOLLFD-NWDGAFQWSA-N 2 2 320.349 0.217 20 5 DCBDLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491790 291307717 /nfs/dbraw/zinc/30/77/17/291307717.db2.gz ZCCCEACUDUYBIT-OLZOCXBDSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491790 291307719 /nfs/dbraw/zinc/30/77/19/291307719.db2.gz ZCCCEACUDUYBIT-OLZOCXBDSA-N 2 2 304.350 0.647 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561408 396155659 /nfs/dbraw/zinc/15/56/59/396155659.db2.gz VODBJWNXBHNWOA-YPMHNXCESA-N 2 2 304.350 0.878 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561408 396155660 /nfs/dbraw/zinc/15/56/60/396155660.db2.gz VODBJWNXBHNWOA-YPMHNXCESA-N 2 2 304.350 0.878 20 5 DCBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000591284792 396893609 /nfs/dbraw/zinc/89/36/09/396893609.db2.gz KOSNNFCWOYEDMT-NSHDSACASA-N 2 2 309.322 0.444 20 5 DCBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138767 415265965 /nfs/dbraw/zinc/26/59/65/415265965.db2.gz LVKVMMBFFFLAKG-ZDUSSCGKSA-N 2 2 322.413 0.540 20 5 DCBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138767 415265972 /nfs/dbraw/zinc/26/59/72/415265972.db2.gz LVKVMMBFFFLAKG-ZDUSSCGKSA-N 2 2 322.413 0.540 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414870404 417309082 /nfs/dbraw/zinc/30/90/82/417309082.db2.gz SMZBMNXCMLZOIS-GFCCVEGCSA-N 2 2 323.349 0.988 20 5 DCBDLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)c1[N+](=O)[O-] ZINC001168737298 753995643 /nfs/dbraw/zinc/99/56/43/753995643.db2.gz YXTINHMDLMJXPB-UHFFFAOYSA-N 2 2 309.330 0.296 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169073407 760572120 /nfs/dbraw/zinc/57/21/20/760572120.db2.gz HBEJPJHYJCVYNY-SECBINFHSA-N 2 2 302.294 0.290 20 5 DCBDLP COc1ncnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1[N+](=O)[O-] ZINC001155377930 770483281 /nfs/dbraw/zinc/48/32/81/770483281.db2.gz WTZPWKYVMFGGJI-LLVKDONJSA-N 2 2 322.369 0.253 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000567708011 291371585 /nfs/dbraw/zinc/37/15/85/291371585.db2.gz HITRWHIJBUCLTQ-ZDUSSCGKSA-N 2 2 320.353 0.475 20 5 DCBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592476781 397187211 /nfs/dbraw/zinc/18/72/11/397187211.db2.gz ZEZVACSNPKJNDL-CYBMUJFWSA-N 2 2 318.377 0.962 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610336519 397814784 /nfs/dbraw/zinc/81/47/84/397814784.db2.gz VCSOJKQIBAZLQL-GXTWGEPZSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610336519 397814790 /nfs/dbraw/zinc/81/47/90/397814790.db2.gz VCSOJKQIBAZLQL-GXTWGEPZSA-N 2 2 320.353 0.686 20 5 DCBDLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1OC ZINC000414959988 417317405 /nfs/dbraw/zinc/31/74/05/417317405.db2.gz GMXOCQNDSUQBIM-GFCCVEGCSA-N 2 2 324.381 0.605 20 5 DCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923353203 667514676 /nfs/dbraw/zinc/51/46/76/667514676.db2.gz IHUQRLQNDVYLMC-CVEARBPZSA-N 2 2 320.393 0.608 20 5 DCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353206 667514741 /nfs/dbraw/zinc/51/47/41/667514741.db2.gz IHUQRLQNDVYLMC-JKSUJKDBSA-N 2 2 320.393 0.608 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001579242693 1165248723 /nfs/dbraw/zinc/24/87/23/1165248723.db2.gz XWPCMGUMQFTHSY-UHFFFAOYSA-N 2 2 322.365 0.756 20 5 DCBDLP CN1Cc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc([N+](=O)[O-])c2N1 ZINC001169076462 760561598 /nfs/dbraw/zinc/56/15/98/760561598.db2.gz TWNKEBOIWWISGR-SNVBAGLBSA-N 2 2 318.337 0.415 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375630 770481027 /nfs/dbraw/zinc/48/10/27/770481027.db2.gz GFRAQLDFHUGHFI-CYBMUJFWSA-N 2 2 321.381 0.396 20 5 DCBDLP C[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000584828601 396626921 /nfs/dbraw/zinc/62/69/21/396626921.db2.gz GGOZWUFPFCJZDE-CQSZACIVSA-N 2 2 321.381 0.422 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000584828601 396626924 /nfs/dbraw/zinc/62/69/24/396626924.db2.gz GGOZWUFPFCJZDE-CQSZACIVSA-N 2 2 321.381 0.422 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834289 /nfs/dbraw/zinc/83/42/89/396834289.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834293 /nfs/dbraw/zinc/83/42/93/396834293.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602599162 397447118 /nfs/dbraw/zinc/44/71/18/397447118.db2.gz FITHIRWBBNXMNW-RYUDHWBXSA-N 2 2 313.317 0.967 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420338520 287292111 /nfs/dbraw/zinc/29/21/11/287292111.db2.gz RQNGHAGNJDBIMC-UHFFFAOYSA-N 2 2 308.338 0.963 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420338520 287292113 /nfs/dbraw/zinc/29/21/13/287292113.db2.gz RQNGHAGNJDBIMC-UHFFFAOYSA-N 2 2 308.338 0.963 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130826 416198623 /nfs/dbraw/zinc/19/86/23/416198623.db2.gz UVHZTIBVLQPVOV-ZDUSSCGKSA-N 2 2 308.338 0.583 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130826 416198624 /nfs/dbraw/zinc/19/86/24/416198624.db2.gz UVHZTIBVLQPVOV-ZDUSSCGKSA-N 2 2 308.338 0.583 20 5 DCBDLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880473453 669215629 /nfs/dbraw/zinc/21/56/29/669215629.db2.gz ZUIPQURWEYJKHM-CQSZACIVSA-N 2 2 323.397 0.712 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1 ZINC001157914654 763130539 /nfs/dbraw/zinc/13/05/39/763130539.db2.gz DKOBOGAWOWOFTD-UHFFFAOYSA-N 2 2 314.733 0.476 20 5 DCBDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153487739 769826619 /nfs/dbraw/zinc/82/66/19/769826619.db2.gz LEUMPRXRGQAYOL-UHFFFAOYSA-N 2 2 303.322 0.697 20 5 DCBDLP COc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258439 771747743 /nfs/dbraw/zinc/74/77/43/771747743.db2.gz ZABJVQACKRQVBV-JTQLQIEISA-N 2 2 322.369 0.395 20 5 DCBDLP COc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258439 771747745 /nfs/dbraw/zinc/74/77/45/771747745.db2.gz ZABJVQACKRQVBV-JTQLQIEISA-N 2 2 322.369 0.395 20 5 DCBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246300204 945379593 /nfs/dbraw/zinc/37/95/93/945379593.db2.gz QFBMJQKVCSZKEB-MLGOLLRUSA-N 2 2 320.393 0.734 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735389 396993823 /nfs/dbraw/zinc/99/38/23/396993823.db2.gz YPKRDPSJFZOVHI-OCCSQVGLSA-N 2 2 309.370 0.226 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735389 396993829 /nfs/dbraw/zinc/99/38/29/396993829.db2.gz YPKRDPSJFZOVHI-OCCSQVGLSA-N 2 2 309.370 0.226 20 5 DCBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742836 396995851 /nfs/dbraw/zinc/99/58/51/396995851.db2.gz JDIXYZMOKJCMBU-TZMCWYRMSA-N 2 2 311.386 0.616 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000579935780 397598662 /nfs/dbraw/zinc/59/86/62/397598662.db2.gz ZAXYERBTWXKAPI-SMDDNHRTSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000579935780 397598663 /nfs/dbraw/zinc/59/86/63/397598663.db2.gz ZAXYERBTWXKAPI-SMDDNHRTSA-N 2 2 321.381 0.940 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342399962 415164220 /nfs/dbraw/zinc/16/42/20/415164220.db2.gz JPYDJPFGFGIKFX-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342399962 415164231 /nfs/dbraw/zinc/16/42/31/415164231.db2.gz JPYDJPFGFGIKFX-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352785526 415319810 /nfs/dbraw/zinc/31/98/10/415319810.db2.gz ZXQWFDGVJCFVNH-UHFFFAOYSA-N 2 2 310.402 0.398 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352785526 415319814 /nfs/dbraw/zinc/31/98/14/415319814.db2.gz ZXQWFDGVJCFVNH-UHFFFAOYSA-N 2 2 310.402 0.398 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000370057567 416876455 /nfs/dbraw/zinc/87/64/55/416876455.db2.gz XZXUGFZCVZTNTD-UHFFFAOYSA-N 2 2 323.397 0.873 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414802206 417305547 /nfs/dbraw/zinc/30/55/47/417305547.db2.gz KHUOAJKJLVFMHZ-UHFFFAOYSA-N 2 2 311.338 0.974 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895769105 662214125 /nfs/dbraw/zinc/21/41/25/662214125.db2.gz OENFVCUWEYKGPE-MNOVXSKESA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895769105 662214126 /nfs/dbraw/zinc/21/41/26/662214126.db2.gz OENFVCUWEYKGPE-MNOVXSKESA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895769105 662214128 /nfs/dbraw/zinc/21/41/28/662214128.db2.gz OENFVCUWEYKGPE-MNOVXSKESA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895769105 662214129 /nfs/dbraw/zinc/21/41/29/662214129.db2.gz OENFVCUWEYKGPE-MNOVXSKESA-N 2 2 321.385 0.617 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375631 770481690 /nfs/dbraw/zinc/48/16/90/770481690.db2.gz GFRAQLDFHUGHFI-ZDUSSCGKSA-N 2 2 321.381 0.396 20 5 DCBDLP Cc1cc(Cl)c([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203563 771740357 /nfs/dbraw/zinc/74/03/57/771740357.db2.gz FVJXIBXQCZJELD-MRVPVSSYSA-N 2 2 311.729 0.999 20 5 DCBDLP O=[N+]([O-])c1c(NCCCn2cc[nH+]c2)ncnc1C1C[NH2+]C1 ZINC001161682550 772265298 /nfs/dbraw/zinc/26/52/98/772265298.db2.gz UWYVHIYEOIAHEY-UHFFFAOYSA-N 2 2 303.326 0.770 20 5 DCBDLP COc1nc(C)c([N+](=O)[O-])c(-n2c(C)[nH+]c3c2CC[NH2+]CC3)n1 ZINC001165353097 772727557 /nfs/dbraw/zinc/72/75/57/772727557.db2.gz KYQMJSQUKSRZGJ-UHFFFAOYSA-N 2 2 318.337 0.884 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262559410 396155345 /nfs/dbraw/zinc/15/53/45/396155345.db2.gz UZMIDWOJBAVMFX-DGCLKSJQSA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262559410 396155347 /nfs/dbraw/zinc/15/53/47/396155347.db2.gz UZMIDWOJBAVMFX-DGCLKSJQSA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561388 396155574 /nfs/dbraw/zinc/15/55/74/396155574.db2.gz VODBJWNXBHNWOA-AAEUAGOBSA-N 2 2 304.350 0.878 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561388 396155575 /nfs/dbraw/zinc/15/55/75/396155575.db2.gz VODBJWNXBHNWOA-AAEUAGOBSA-N 2 2 304.350 0.878 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000563003882 396692133 /nfs/dbraw/zinc/69/21/33/396692133.db2.gz XYULCVGTCAJOPO-UKRRQHHQSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000563003882 396692136 /nfs/dbraw/zinc/69/21/36/396692136.db2.gz XYULCVGTCAJOPO-UKRRQHHQSA-N 2 2 323.397 0.759 20 5 DCBDLP CN(C(=O)C[N@H+](C)CCOCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000600735185 396933955 /nfs/dbraw/zinc/93/39/55/396933955.db2.gz KMGQJTANSPHLAJ-UHFFFAOYSA-N 2 2 310.354 0.465 20 5 DCBDLP CN(C(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000600735185 396933958 /nfs/dbraw/zinc/93/39/58/396933958.db2.gz KMGQJTANSPHLAJ-UHFFFAOYSA-N 2 2 310.354 0.465 20 5 DCBDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057494 /nfs/dbraw/zinc/05/74/94/397057494.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057500 /nfs/dbraw/zinc/05/75/00/397057500.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057503 /nfs/dbraw/zinc/05/75/03/397057503.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057509 /nfs/dbraw/zinc/05/75/09/397057509.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 2 323.397 0.789 20 5 DCBDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475091 397185120 /nfs/dbraw/zinc/18/51/20/397185120.db2.gz NFUGBWMWWWPIPF-RISCZKNCSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475091 397185126 /nfs/dbraw/zinc/18/51/26/397185126.db2.gz NFUGBWMWWWPIPF-RISCZKNCSA-N 2 2 322.365 0.971 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593904567 397473371 /nfs/dbraw/zinc/47/33/71/397473371.db2.gz ZLQNPRAUJAXTPO-LBPRGKRZSA-N 2 2 310.354 0.499 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920814 417078368 /nfs/dbraw/zinc/07/83/68/417078368.db2.gz WMVKHRUTKYZERV-FZMZJTMJSA-N 2 2 304.350 0.981 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920814 417078376 /nfs/dbraw/zinc/07/83/76/417078376.db2.gz WMVKHRUTKYZERV-FZMZJTMJSA-N 2 2 304.350 0.981 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000569104278 417212925 /nfs/dbraw/zinc/21/29/25/417212925.db2.gz BYDKGTBLGMRPGU-LBPRGKRZSA-N 2 2 322.365 0.465 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000569104278 417212929 /nfs/dbraw/zinc/21/29/29/417212929.db2.gz BYDKGTBLGMRPGU-LBPRGKRZSA-N 2 2 322.365 0.465 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576053077 417576091 /nfs/dbraw/zinc/57/60/91/417576091.db2.gz AZGLCZZRCKRQFG-LERXQTSPSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576053077 417576097 /nfs/dbraw/zinc/57/60/97/417576097.db2.gz AZGLCZZRCKRQFG-LERXQTSPSA-N 2 2 304.350 0.900 20 5 DCBDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582117659 333293565 /nfs/dbraw/zinc/29/35/65/333293565.db2.gz ZFCBLFPZYRAVRB-CQSZACIVSA-N 2 2 305.338 0.688 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266900109 527416446 /nfs/dbraw/zinc/41/64/46/527416446.db2.gz GIWUYIDPHPDPNI-WCQYABFASA-N 2 2 320.353 0.755 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266900109 527416451 /nfs/dbraw/zinc/41/64/51/527416451.db2.gz GIWUYIDPHPDPNI-WCQYABFASA-N 2 2 320.353 0.755 20 5 DCBDLP Cc1cc([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001579642349 1165369361 /nfs/dbraw/zinc/36/93/61/1165369361.db2.gz BEGQDLDIKXTJOF-UHFFFAOYSA-N 2 2 307.354 0.451 20 5 DCBDLP Cc1cc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1Cl ZINC001158204938 771740703 /nfs/dbraw/zinc/74/07/03/771740703.db2.gz WOOQTCSLAHGNKZ-MRVPVSSYSA-N 2 2 311.729 0.999 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574579 946410851 /nfs/dbraw/zinc/41/08/51/946410851.db2.gz IYBQAZNPIBTCIO-CYBMUJFWSA-N 2 2 303.366 0.834 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567180237 291341915 /nfs/dbraw/zinc/34/19/15/291341915.db2.gz CZOVDIYMHZQWMI-MDZLAQPJSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567180237 291341916 /nfs/dbraw/zinc/34/19/16/291341916.db2.gz CZOVDIYMHZQWMI-MDZLAQPJSA-N 2 2 304.350 0.900 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430616640 417048792 /nfs/dbraw/zinc/04/87/92/417048792.db2.gz GOGASRKXRITGQZ-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430616640 417048795 /nfs/dbraw/zinc/04/87/95/417048795.db2.gz GOGASRKXRITGQZ-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877666165 668637469 /nfs/dbraw/zinc/63/74/69/668637469.db2.gz YOGOUIROVXMANX-HIFPTAJRSA-N 2 2 323.397 0.930 20 5 DCBDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877666165 668637470 /nfs/dbraw/zinc/63/74/70/668637470.db2.gz YOGOUIROVXMANX-HIFPTAJRSA-N 2 2 323.397 0.930 20 5 DCBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569927 670750156 /nfs/dbraw/zinc/75/01/56/670750156.db2.gz LTKWDLUPXSBBAX-NSHDSACASA-N 2 2 321.381 0.602 20 5 DCBDLP Cc1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158203907 771740407 /nfs/dbraw/zinc/74/04/07/771740407.db2.gz SCJBQDKPUCWEKF-SSDOTTSWSA-N 2 2 312.717 0.394 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000162285300 291243102 /nfs/dbraw/zinc/24/31/02/291243102.db2.gz AXJNJIADYNVBCP-AWEZNQCLSA-N 2 2 306.366 0.629 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000162285300 291243105 /nfs/dbraw/zinc/24/31/05/291243105.db2.gz AXJNJIADYNVBCP-AWEZNQCLSA-N 2 2 306.366 0.629 20 5 DCBDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000567725652 291372861 /nfs/dbraw/zinc/37/28/61/291372861.db2.gz DJZLWUATDTWXIA-JTNHKYCSSA-N 2 2 309.370 0.367 20 5 DCBDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000567725652 291372864 /nfs/dbraw/zinc/37/28/64/291372864.db2.gz DJZLWUATDTWXIA-JTNHKYCSSA-N 2 2 309.370 0.367 20 5 DCBDLP Cc1noc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595402075 396603685 /nfs/dbraw/zinc/60/36/85/396603685.db2.gz USEXEPCRMCHBTB-UHFFFAOYSA-N 2 2 311.386 0.961 20 5 DCBDLP Cc1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595402075 396603689 /nfs/dbraw/zinc/60/36/89/396603689.db2.gz USEXEPCRMCHBTB-UHFFFAOYSA-N 2 2 311.386 0.961 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563438378 396736142 /nfs/dbraw/zinc/73/61/42/396736142.db2.gz CZXPKKSARFZORE-CHWSQXEVSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563438378 396736151 /nfs/dbraw/zinc/73/61/51/396736151.db2.gz CZXPKKSARFZORE-CHWSQXEVSA-N 2 2 320.349 0.347 20 5 DCBDLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579246432 397542951 /nfs/dbraw/zinc/54/29/51/397542951.db2.gz HIKBHUMDQPNUQO-CQSZACIVSA-N 2 2 309.370 0.082 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158206438 771740921 /nfs/dbraw/zinc/74/09/21/771740921.db2.gz OHRZCXPKUSYDRV-MRVPVSSYSA-N 2 2 302.294 0.519 20 5 DCBDLP Cc1ncc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258774 771748353 /nfs/dbraw/zinc/74/83/53/771748353.db2.gz ITUWMGYIZTTXLJ-NSHDSACASA-N 2 2 306.370 0.695 20 5 DCBDLP Cc1ncc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258774 771748355 /nfs/dbraw/zinc/74/83/55/771748355.db2.gz ITUWMGYIZTTXLJ-NSHDSACASA-N 2 2 306.370 0.695 20 5 DCBDLP C[NH+](C)/C=C/c1cc(NC[C@@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043851 771850883 /nfs/dbraw/zinc/85/08/83/771850883.db2.gz IPCJQBHQZBWBAR-OGOUPESXSA-N 2 2 307.354 0.922 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514314 772055592 /nfs/dbraw/zinc/05/55/92/772055592.db2.gz VJYMOPMKXNBOTE-AWEZNQCLSA-N 2 2 307.354 0.372 20 5 DCBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)n1 ZINC000423545534 240203393 /nfs/dbraw/zinc/20/33/93/240203393.db2.gz CXROHTYNQGUDNB-RWMBFGLXSA-N 2 2 309.370 0.853 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735390 396994054 /nfs/dbraw/zinc/99/40/54/396994054.db2.gz YPKRDPSJFZOVHI-TZMCWYRMSA-N 2 2 309.370 0.226 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735390 396994064 /nfs/dbraw/zinc/99/40/64/396994064.db2.gz YPKRDPSJFZOVHI-TZMCWYRMSA-N 2 2 309.370 0.226 20 5 DCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752102 396996885 /nfs/dbraw/zinc/99/68/85/396996885.db2.gz USGQYHGDXWPRFM-LERXQTSPSA-N 2 2 309.370 0.225 20 5 DCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752102 396996890 /nfs/dbraw/zinc/99/68/90/396996890.db2.gz USGQYHGDXWPRFM-LERXQTSPSA-N 2 2 309.370 0.225 20 5 DCBDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475156 397186867 /nfs/dbraw/zinc/18/68/67/397186867.db2.gz WKIXYVJXWBASMV-RISCZKNCSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475156 397186872 /nfs/dbraw/zinc/18/68/72/397186872.db2.gz WKIXYVJXWBASMV-RISCZKNCSA-N 2 2 322.365 0.971 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787686 397192646 /nfs/dbraw/zinc/19/26/46/397192646.db2.gz YWKGSEQQRDZNBA-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787686 397192654 /nfs/dbraw/zinc/19/26/54/397192654.db2.gz YWKGSEQQRDZNBA-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493002 397563850 /nfs/dbraw/zinc/56/38/50/397563850.db2.gz BSQAKRACLHQBAE-CQSZACIVSA-N 2 2 318.377 0.946 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571094 397782861 /nfs/dbraw/zinc/78/28/61/397782861.db2.gz YJCMSFHPTMZFLT-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571094 397782862 /nfs/dbraw/zinc/78/28/62/397782862.db2.gz YJCMSFHPTMZFLT-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358139924 416200352 /nfs/dbraw/zinc/20/03/52/416200352.db2.gz SBYOLMIUFOVCSU-ZDUSSCGKSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358139924 416200356 /nfs/dbraw/zinc/20/03/56/416200356.db2.gz SBYOLMIUFOVCSU-ZDUSSCGKSA-N 2 2 322.365 0.891 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769284 662214177 /nfs/dbraw/zinc/21/41/77/662214177.db2.gz QQGNDDIJBXZKRR-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769284 662214178 /nfs/dbraw/zinc/21/41/78/662214178.db2.gz QQGNDDIJBXZKRR-QWRGUYRKSA-N 2 2 321.385 0.617 20 5 DCBDLP Nc1cc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc[nH+]1 ZINC001167617563 747429906 /nfs/dbraw/zinc/42/99/06/747429906.db2.gz PPJXVSBRAALMHJ-UHFFFAOYSA-N 2 2 301.310 0.661 20 5 DCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146891198 767556240 /nfs/dbraw/zinc/55/62/40/767556240.db2.gz QSVIXUVOIQCYKC-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146891198 767556247 /nfs/dbraw/zinc/55/62/47/767556247.db2.gz QSVIXUVOIQCYKC-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP COc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160510738 772053530 /nfs/dbraw/zinc/05/35/30/772053530.db2.gz JGMDRWZDQCOKCA-CQSZACIVSA-N 2 2 307.354 0.833 20 5 DCBDLP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125950751 395908512 /nfs/dbraw/zinc/90/85/12/395908512.db2.gz GKVJUMKOCXVHQQ-LLVKDONJSA-N 2 2 301.306 0.872 20 5 DCBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263254428 396209316 /nfs/dbraw/zinc/20/93/16/396209316.db2.gz QJSAIFYTTIVBBC-GXSJLCMTSA-N 2 2 317.292 0.866 20 5 DCBDLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171753 396491486 /nfs/dbraw/zinc/49/14/86/396491486.db2.gz VMVAHZOCEDOEHA-BXUZGUMPSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171753 396491490 /nfs/dbraw/zinc/49/14/90/396491490.db2.gz VMVAHZOCEDOEHA-BXUZGUMPSA-N 2 2 321.381 0.940 20 5 DCBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)OCCO2 ZINC000591284791 396894188 /nfs/dbraw/zinc/89/41/88/396894188.db2.gz KOSNNFCWOYEDMT-LLVKDONJSA-N 2 2 309.322 0.444 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430615642 417050418 /nfs/dbraw/zinc/05/04/18/417050418.db2.gz CUDHNHSPHUBMFB-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430615642 417050425 /nfs/dbraw/zinc/05/04/25/417050425.db2.gz CUDHNHSPHUBMFB-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353204 667514546 /nfs/dbraw/zinc/51/45/46/667514546.db2.gz IHUQRLQNDVYLMC-HOTGVXAUSA-N 2 2 320.393 0.608 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152172 667869487 /nfs/dbraw/zinc/86/94/87/667869487.db2.gz ZZYROOPDXHONMK-RKDXNWHRSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152172 667869491 /nfs/dbraw/zinc/86/94/91/667869491.db2.gz ZZYROOPDXHONMK-RKDXNWHRSA-N 2 2 307.276 0.860 20 5 DCBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840282451 670615334 /nfs/dbraw/zinc/61/53/34/670615334.db2.gz MGTTVNRAUQFQLK-ZWNOBZJWSA-N 2 2 305.338 0.437 20 5 DCBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840282451 670615344 /nfs/dbraw/zinc/61/53/44/670615344.db2.gz MGTTVNRAUQFQLK-ZWNOBZJWSA-N 2 2 305.338 0.437 20 5 DCBDLP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(C[NH3+])CCOCC1 ZINC001578483127 1165032633 /nfs/dbraw/zinc/03/26/33/1165032633.db2.gz RHAXLTHXNDCGDN-UHFFFAOYSA-N 2 2 310.354 0.196 20 5 DCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(C[NH3+])CCOCC1 ZINC001578483127 1165032636 /nfs/dbraw/zinc/03/26/36/1165032636.db2.gz RHAXLTHXNDCGDN-UHFFFAOYSA-N 2 2 310.354 0.196 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737421 753997900 /nfs/dbraw/zinc/99/79/00/753997900.db2.gz VWWPUYHHGVAPGP-UHFFFAOYSA-N 2 2 321.337 0.975 20 5 DCBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c1F ZINC001173187824 769556896 /nfs/dbraw/zinc/55/68/96/769556896.db2.gz GZVXUHFSVRVWLD-FBIMIBRVSA-N 2 2 313.329 0.989 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561397 283376468 /nfs/dbraw/zinc/37/64/68/283376468.db2.gz VODBJWNXBHNWOA-DGCLKSJQSA-N 2 2 304.350 0.878 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561397 283376471 /nfs/dbraw/zinc/37/64/71/283376471.db2.gz VODBJWNXBHNWOA-DGCLKSJQSA-N 2 2 304.350 0.878 20 5 DCBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092217 274472615 /nfs/dbraw/zinc/47/26/15/274472615.db2.gz FQLJBQYWQAFTQI-BXUZGUMPSA-N 2 2 322.365 0.890 20 5 DCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855415009 670710724 /nfs/dbraw/zinc/71/07/24/670710724.db2.gz PVHJVUBTOAZQSL-UHFFFAOYSA-N 2 2 324.385 0.185 20 5 DCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855415009 670710727 /nfs/dbraw/zinc/71/07/27/670710727.db2.gz PVHJVUBTOAZQSL-UHFFFAOYSA-N 2 2 324.385 0.185 20 5 DCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000843061240 672057840 /nfs/dbraw/zinc/05/78/40/672057840.db2.gz CUYZPWGXJOQZBR-LSDHHAIUSA-N 2 2 309.366 0.675 20 5 DCBDLP O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607077644 1170382135 /nfs/dbraw/zinc/38/21/35/1170382135.db2.gz QDANZVVMSIOMQH-RYUDHWBXSA-N 2 2 315.337 0.426 20 5 DCBDLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987271 760545315 /nfs/dbraw/zinc/54/53/15/760545315.db2.gz HVMJFVQBZQGQGF-VXGBXAGGSA-N 2 2 309.370 0.509 20 5 DCBDLP Nc1cc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc[nH+]1 ZINC001156763842 770916332 /nfs/dbraw/zinc/91/63/32/770916332.db2.gz GIYTVQZIMFZDJN-UHFFFAOYSA-N 2 2 301.310 0.661 20 5 DCBDLP COC(=O)c1cc([N+](=O)[O-])cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914894 771692541 /nfs/dbraw/zinc/69/25/41/771692541.db2.gz OKPMRJBYWGBMHH-UHFFFAOYSA-N 2 2 322.325 0.370 20 5 DCBDLP COC(=O)c1cnc(NCC[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161866795 772291661 /nfs/dbraw/zinc/29/16/61/772291661.db2.gz ANNQPZCQHKOMQP-UHFFFAOYSA-N 2 2 323.353 0.611 20 5 DCBDLP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001335397371 952531548 /nfs/dbraw/zinc/53/15/48/952531548.db2.gz GGDNJKPEGKCWTA-APHBMKBZSA-N 2 2 322.409 0.852 20 5 DCBDLP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001335397371 952531551 /nfs/dbraw/zinc/53/15/51/952531551.db2.gz GGDNJKPEGKCWTA-APHBMKBZSA-N 2 2 322.409 0.852 20 5 DCBDLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934522 240411721 /nfs/dbraw/zinc/41/17/21/240411721.db2.gz MZKBDLSLMZKUQA-LLVKDONJSA-N 2 2 304.350 0.765 20 5 DCBDLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934522 240411729 /nfs/dbraw/zinc/41/17/29/240411729.db2.gz MZKBDLSLMZKUQA-LLVKDONJSA-N 2 2 304.350 0.765 20 5 DCBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000567725651 291373091 /nfs/dbraw/zinc/37/30/91/291373091.db2.gz DJZLWUATDTWXIA-GYSYKLTISA-N 2 2 309.370 0.367 20 5 DCBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000567725651 291373094 /nfs/dbraw/zinc/37/30/94/291373094.db2.gz DJZLWUATDTWXIA-GYSYKLTISA-N 2 2 309.370 0.367 20 5 DCBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000598913884 397306711 /nfs/dbraw/zinc/30/67/11/397306711.db2.gz RHMVWSKFPOQNQE-JTQLQIEISA-N 2 2 311.317 0.841 20 5 DCBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000598913884 397306716 /nfs/dbraw/zinc/30/67/16/397306716.db2.gz RHMVWSKFPOQNQE-JTQLQIEISA-N 2 2 311.317 0.841 20 5 DCBDLP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000593901680 397472552 /nfs/dbraw/zinc/47/25/52/397472552.db2.gz GHJLYWBNSXGRIK-LBPRGKRZSA-N 2 2 324.337 0.599 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000602899965 397517515 /nfs/dbraw/zinc/51/75/15/397517515.db2.gz VMLKALCPPGQMBS-UHFFFAOYSA-N 2 2 323.397 0.896 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610336520 397814688 /nfs/dbraw/zinc/81/46/88/397814688.db2.gz VCSOJKQIBAZLQL-JSGCOSHPSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610336520 397814692 /nfs/dbraw/zinc/81/46/92/397814692.db2.gz VCSOJKQIBAZLQL-JSGCOSHPSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610336522 397814982 /nfs/dbraw/zinc/81/49/82/397814982.db2.gz VCSOJKQIBAZLQL-TZMCWYRMSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610336522 397814984 /nfs/dbraw/zinc/81/49/84/397814984.db2.gz VCSOJKQIBAZLQL-TZMCWYRMSA-N 2 2 320.353 0.686 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920916 417083150 /nfs/dbraw/zinc/08/31/50/417083150.db2.gz WMVKHRUTKYZERV-SMDDNHRTSA-N 2 2 304.350 0.981 20 5 DCBDLP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920916 417083156 /nfs/dbraw/zinc/08/31/56/417083156.db2.gz WMVKHRUTKYZERV-SMDDNHRTSA-N 2 2 304.350 0.981 20 5 DCBDLP Cc1[nH+]cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000850140394 670885784 /nfs/dbraw/zinc/88/57/84/670885784.db2.gz ZBGULBFWSDOHMO-HUUCEWRRSA-N 2 2 320.349 0.821 20 5 DCBDLP COc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155364315 770476771 /nfs/dbraw/zinc/47/67/71/770476771.db2.gz XWTJJPCQKTUIMM-LLVKDONJSA-N 2 2 322.369 0.253 20 5 DCBDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268890 771750555 /nfs/dbraw/zinc/75/05/55/771750555.db2.gz NQTBGVPXNQBFIW-NSHDSACASA-N 2 2 306.370 0.695 20 5 DCBDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268890 771750557 /nfs/dbraw/zinc/75/05/57/771750557.db2.gz NQTBGVPXNQBFIW-NSHDSACASA-N 2 2 306.370 0.695 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250129 291345276 /nfs/dbraw/zinc/34/52/76/291345276.db2.gz BLPWHJJWKLFCHB-TZMCWYRMSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250129 291345277 /nfs/dbraw/zinc/34/52/77/291345277.db2.gz BLPWHJJWKLFCHB-TZMCWYRMSA-N 2 2 320.349 0.217 20 5 DCBDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791316 204157789 /nfs/dbraw/zinc/15/77/89/204157789.db2.gz XDAWKPIWLACQCE-CYBMUJFWSA-N 2 2 308.382 0.939 20 5 DCBDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791316 204157793 /nfs/dbraw/zinc/15/77/93/204157793.db2.gz XDAWKPIWLACQCE-CYBMUJFWSA-N 2 2 308.382 0.939 20 5 DCBDLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171755 396491048 /nfs/dbraw/zinc/49/10/48/396491048.db2.gz VMVAHZOCEDOEHA-RISCZKNCSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171755 396491051 /nfs/dbraw/zinc/49/10/51/396491051.db2.gz VMVAHZOCEDOEHA-RISCZKNCSA-N 2 2 321.381 0.940 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000595471370 396613741 /nfs/dbraw/zinc/61/37/41/396613741.db2.gz ZYBPQVADGWFZOC-AWEZNQCLSA-N 2 2 323.397 0.978 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000595471370 396613744 /nfs/dbraw/zinc/61/37/44/396613744.db2.gz ZYBPQVADGWFZOC-AWEZNQCLSA-N 2 2 323.397 0.978 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205895 396834098 /nfs/dbraw/zinc/83/40/98/396834098.db2.gz GFQHQRJCVVVJDD-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205895 396834103 /nfs/dbraw/zinc/83/41/03/396834103.db2.gz GFQHQRJCVVVJDD-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475090 397185955 /nfs/dbraw/zinc/18/59/55/397185955.db2.gz NFUGBWMWWWPIPF-FZMZJTMJSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475090 397185958 /nfs/dbraw/zinc/18/59/58/397185958.db2.gz NFUGBWMWWWPIPF-FZMZJTMJSA-N 2 2 322.365 0.971 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000579812679 397593363 /nfs/dbraw/zinc/59/33/63/397593363.db2.gz VSGRFPHPQDAALS-CQSZACIVSA-N 2 2 321.381 0.422 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122239 416196181 /nfs/dbraw/zinc/19/61/81/416196181.db2.gz HKLIWJAWGOBLFD-LLVKDONJSA-N 2 2 308.338 0.583 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122239 416196183 /nfs/dbraw/zinc/19/61/83/416196183.db2.gz HKLIWJAWGOBLFD-LLVKDONJSA-N 2 2 308.338 0.583 20 5 DCBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415092221 417329018 /nfs/dbraw/zinc/32/90/18/417329018.db2.gz FQLJBQYWQAFTQI-FZMZJTMJSA-N 2 2 322.365 0.890 20 5 DCBDLP COC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001157914338 771692092 /nfs/dbraw/zinc/69/20/92/771692092.db2.gz CERNVCZFSOGGCL-UHFFFAOYSA-N 2 2 322.325 0.370 20 5 DCBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246300203 945379999 /nfs/dbraw/zinc/37/99/99/945379999.db2.gz QFBMJQKVCSZKEB-LRDDRELGSA-N 2 2 320.393 0.734 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574581 946409734 /nfs/dbraw/zinc/40/97/34/946409734.db2.gz IYBQAZNPIBTCIO-ZDUSSCGKSA-N 2 2 303.366 0.834 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490235 291307452 /nfs/dbraw/zinc/30/74/52/291307452.db2.gz FHHMTUQITGGQHX-KBUVRSHFSA-N 2 2 316.361 0.852 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490235 291307453 /nfs/dbraw/zinc/30/74/53/291307453.db2.gz FHHMTUQITGGQHX-KBUVRSHFSA-N 2 2 316.361 0.852 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000595471371 396613486 /nfs/dbraw/zinc/61/34/86/396613486.db2.gz ZYBPQVADGWFZOC-CQSZACIVSA-N 2 2 323.397 0.978 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000595471371 396613488 /nfs/dbraw/zinc/61/34/88/396613488.db2.gz ZYBPQVADGWFZOC-CQSZACIVSA-N 2 2 323.397 0.978 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000358154652 416201740 /nfs/dbraw/zinc/20/17/40/416201740.db2.gz QZQYGJRBPQEVKF-CYBMUJFWSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000358154652 416201744 /nfs/dbraw/zinc/20/17/44/416201744.db2.gz QZQYGJRBPQEVKF-CYBMUJFWSA-N 2 2 322.365 0.891 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265343 416738291 /nfs/dbraw/zinc/73/82/91/416738291.db2.gz FWRPTPWFFGRURQ-JTQLQIEISA-N 2 2 321.385 0.547 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265343 416738300 /nfs/dbraw/zinc/73/83/00/416738300.db2.gz FWRPTPWFFGRURQ-JTQLQIEISA-N 2 2 321.385 0.547 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000519538259 416911062 /nfs/dbraw/zinc/91/10/62/416911062.db2.gz IUNOYLOEIXRUES-GFCCVEGCSA-N 2 2 321.381 0.498 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000519538259 416911070 /nfs/dbraw/zinc/91/10/70/416911070.db2.gz IUNOYLOEIXRUES-GFCCVEGCSA-N 2 2 321.381 0.498 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414839191 417307941 /nfs/dbraw/zinc/30/79/41/417307941.db2.gz FTXJFDRSAODGER-LBPRGKRZSA-N 2 2 323.349 0.988 20 5 DCBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414989686 417321311 /nfs/dbraw/zinc/32/13/11/417321311.db2.gz NVIHBPJKGSYSPM-NSHDSACASA-N 2 2 311.338 0.974 20 5 DCBDLP C[NH+](C)C1CC[NH+](CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000267219153 524040483 /nfs/dbraw/zinc/04/04/83/524040483.db2.gz SJJZERQSGNQEJU-UHFFFAOYSA-N 2 2 309.374 0.405 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000266775216 527415750 /nfs/dbraw/zinc/41/57/50/527415750.db2.gz YBLPESGVRVCGCL-CQSZACIVSA-N 2 2 320.353 0.686 20 5 DCBDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC000791054381 669590330 /nfs/dbraw/zinc/59/03/30/669590330.db2.gz ZYMMUXOOFCKCPF-UHFFFAOYSA-N 2 2 312.414 0.529 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3nncn3c2)CC1 ZINC001168741297 754049118 /nfs/dbraw/zinc/04/91/18/754049118.db2.gz WHPCCHCMVRWVBM-UHFFFAOYSA-N 2 2 304.314 0.232 20 5 DCBDLP COc1nc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075049 760574643 /nfs/dbraw/zinc/57/46/43/760574643.db2.gz UQUNWZZWARPAFH-SECBINFHSA-N 2 2 307.310 0.355 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169076079 760575842 /nfs/dbraw/zinc/57/58/42/760575842.db2.gz LMWMSJURIJJFJA-SNVBAGLBSA-N 2 2 320.305 0.429 20 5 DCBDLP O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC[NH2+]CC1 ZINC001328491685 948921271 /nfs/dbraw/zinc/92/12/71/948921271.db2.gz ISBYZAJSXWCSHS-UHFFFAOYSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC[NH2+]CC1 ZINC001328491685 948921280 /nfs/dbraw/zinc/92/12/80/948921280.db2.gz ISBYZAJSXWCSHS-UHFFFAOYSA-N 2 2 318.377 0.991 20 5 DCBDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158836 /nfs/dbraw/zinc/15/88/36/204158836.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 2 2 308.382 0.939 20 5 DCBDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158841 /nfs/dbraw/zinc/15/88/41/204158841.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 2 2 308.382 0.939 20 5 DCBDLP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273945 285001898 /nfs/dbraw/zinc/00/18/98/285001898.db2.gz JWQIZNVWJVDDIL-LALPHHSUSA-N 2 2 316.361 0.851 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559409 396155686 /nfs/dbraw/zinc/15/56/86/396155686.db2.gz UZMIDWOJBAVMFX-AAEUAGOBSA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559409 396155688 /nfs/dbraw/zinc/15/56/88/396155688.db2.gz UZMIDWOJBAVMFX-AAEUAGOBSA-N 2 2 304.350 0.735 20 5 DCBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742831 396995531 /nfs/dbraw/zinc/99/55/31/396995531.db2.gz JDIXYZMOKJCMBU-JSGCOSHPSA-N 2 2 311.386 0.616 20 5 DCBDLP Cc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016421 397013085 /nfs/dbraw/zinc/01/30/85/397013085.db2.gz VDVVJHJHOQIMCI-CHWSQXEVSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016421 397013087 /nfs/dbraw/zinc/01/30/87/397013087.db2.gz VDVVJHJHOQIMCI-CHWSQXEVSA-N 2 2 304.350 0.647 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787685 397192717 /nfs/dbraw/zinc/19/27/17/397192717.db2.gz YWKGSEQQRDZNBA-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787685 397192724 /nfs/dbraw/zinc/19/27/24/397192724.db2.gz YWKGSEQQRDZNBA-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593904311 397473305 /nfs/dbraw/zinc/47/33/05/397473305.db2.gz UVKUXOFGHJXORG-ZDUSSCGKSA-N 2 2 310.354 0.369 20 5 DCBDLP Cn1cc[nH+]c1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331626030 415157761 /nfs/dbraw/zinc/15/77/61/415157761.db2.gz GFGLOZZFSUCQIT-UHFFFAOYSA-N 2 2 305.342 0.347 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430615641 417052027 /nfs/dbraw/zinc/05/20/27/417052027.db2.gz CUDHNHSPHUBMFB-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430615641 417052032 /nfs/dbraw/zinc/05/20/32/417052032.db2.gz CUDHNHSPHUBMFB-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689097 272204761 /nfs/dbraw/zinc/20/47/61/272204761.db2.gz QQEZWARWMQNXRG-HSBHDXMMSA-N 2 2 322.340 0.848 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689097 272204762 /nfs/dbraw/zinc/20/47/62/272204762.db2.gz QQEZWARWMQNXRG-HSBHDXMMSA-N 2 2 322.340 0.848 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000266775214 527415772 /nfs/dbraw/zinc/41/57/72/527415772.db2.gz YBLPESGVRVCGCL-AWEZNQCLSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000906614184 663624119 /nfs/dbraw/zinc/62/41/19/663624119.db2.gz JNHLHZXUWNQHSH-CABCVRRESA-N 2 2 309.366 0.675 20 5 DCBDLP C[C@]([NH3+])(C(=O)NCC[NH+]1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080687 1164233746 /nfs/dbraw/zinc/23/37/46/1164233746.db2.gz FWPODZQOSBUUFX-OAHLLOKOSA-N 2 2 304.350 0.757 20 5 DCBDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000567725654 291373013 /nfs/dbraw/zinc/37/30/13/291373013.db2.gz DJZLWUATDTWXIA-UHIISALHSA-N 2 2 309.370 0.367 20 5 DCBDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000567725654 291373016 /nfs/dbraw/zinc/37/30/16/291373016.db2.gz DJZLWUATDTWXIA-UHIISALHSA-N 2 2 309.370 0.367 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000563003880 396692095 /nfs/dbraw/zinc/69/20/95/396692095.db2.gz XYULCVGTCAJOPO-HIFRSBDPSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000563003880 396692101 /nfs/dbraw/zinc/69/21/01/396692101.db2.gz XYULCVGTCAJOPO-HIFRSBDPSA-N 2 2 323.397 0.759 20 5 DCBDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475155 397187126 /nfs/dbraw/zinc/18/71/26/397187126.db2.gz WKIXYVJXWBASMV-FZMZJTMJSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475155 397187132 /nfs/dbraw/zinc/18/71/32/397187132.db2.gz WKIXYVJXWBASMV-FZMZJTMJSA-N 2 2 322.365 0.971 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000602820538 397495202 /nfs/dbraw/zinc/49/52/02/397495202.db2.gz ZPKFHQDHGRNEBT-UHFFFAOYSA-N 2 2 305.342 0.645 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570663713 417377924 /nfs/dbraw/zinc/37/79/24/417377924.db2.gz SIMDXVQCSQVVDL-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570663713 417377936 /nfs/dbraw/zinc/37/79/36/417377936.db2.gz SIMDXVQCSQVVDL-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000892489985 658719009 /nfs/dbraw/zinc/71/90/09/658719009.db2.gz LMCCAXVISRIRRW-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000892489985 658719015 /nfs/dbraw/zinc/71/90/15/658719015.db2.gz LMCCAXVISRIRRW-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC[N@H+]3CCCO)C2)c1 ZINC000877559759 668628163 /nfs/dbraw/zinc/62/81/63/668628163.db2.gz VAPBSNMBSAPBTC-ROKHWSDSSA-N 2 2 323.397 0.931 20 5 DCBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC[N@@H+]3CCCO)C2)c1 ZINC000877559759 668628169 /nfs/dbraw/zinc/62/81/69/668628169.db2.gz VAPBSNMBSAPBTC-ROKHWSDSSA-N 2 2 323.397 0.931 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284129 669173598 /nfs/dbraw/zinc/17/35/98/669173598.db2.gz QLMYVNIDFWYIPT-OJLVUWQFSA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284129 669173602 /nfs/dbraw/zinc/17/36/02/669173602.db2.gz QLMYVNIDFWYIPT-OJLVUWQFSA-N 2 2 321.377 0.826 20 5 DCBDLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880473452 669215437 /nfs/dbraw/zinc/21/54/37/669215437.db2.gz ZUIPQURWEYJKHM-AWEZNQCLSA-N 2 2 323.397 0.712 20 5 DCBDLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001580755480 1165712192 /nfs/dbraw/zinc/71/21/92/1165712192.db2.gz OJEAZEDSZDORPX-YABSGUDNSA-N 2 2 313.317 0.728 20 5 DCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144204636 766828611 /nfs/dbraw/zinc/82/86/11/766828611.db2.gz STDSJBHGSZSKDD-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144204636 766828622 /nfs/dbraw/zinc/82/86/22/766828622.db2.gz STDSJBHGSZSKDD-UHFFFAOYSA-N 2 2 324.385 0.416 20 5 DCBDLP Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218859996 774316089 /nfs/dbraw/zinc/31/60/89/774316089.db2.gz RGTIHEOTGOCSDP-ONGXEEELSA-N 2 2 322.372 0.850 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250128 291345203 /nfs/dbraw/zinc/34/52/03/291345203.db2.gz BLPWHJJWKLFCHB-OCCSQVGLSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250128 291345205 /nfs/dbraw/zinc/34/52/05/291345205.db2.gz BLPWHJJWKLFCHB-OCCSQVGLSA-N 2 2 320.349 0.217 20 5 DCBDLP CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595903598 396680472 /nfs/dbraw/zinc/68/04/72/396680472.db2.gz YJDBXFMBBZTXNE-UHFFFAOYSA-N 2 2 322.365 0.262 20 5 DCBDLP Cc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016424 397014571 /nfs/dbraw/zinc/01/45/71/397014571.db2.gz VDVVJHJHOQIMCI-STQMWFEESA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016424 397014572 /nfs/dbraw/zinc/01/45/72/397014572.db2.gz VDVVJHJHOQIMCI-STQMWFEESA-N 2 2 304.350 0.647 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000592308181 397149310 /nfs/dbraw/zinc/14/93/10/397149310.db2.gz ADKOACTYHBHBTQ-LBPRGKRZSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000592308181 397149314 /nfs/dbraw/zinc/14/93/14/397149314.db2.gz ADKOACTYHBHBTQ-LBPRGKRZSA-N 2 2 308.338 0.075 20 5 DCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000593902802 397473511 /nfs/dbraw/zinc/47/35/11/397473511.db2.gz WRVUSZFGLIANPP-NSHDSACASA-N 2 2 309.370 0.402 20 5 DCBDLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787551 397486543 /nfs/dbraw/zinc/48/65/43/397486543.db2.gz SCGFXEQGWBPVOI-VXGBXAGGSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787551 397486549 /nfs/dbraw/zinc/48/65/49/397486549.db2.gz SCGFXEQGWBPVOI-VXGBXAGGSA-N 2 2 320.349 0.347 20 5 DCBDLP Cc1c(NC(=O)CC[N@H+](CC[NH3+])CCO)cccc1[N+](=O)[O-] ZINC000342403632 415165550 /nfs/dbraw/zinc/16/55/50/415165550.db2.gz VISYFEXUOWOWQH-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP Cc1c(NC(=O)CC[N@@H+](CC[NH3+])CCO)cccc1[N+](=O)[O-] ZINC000342403632 415165556 /nfs/dbraw/zinc/16/55/56/415165556.db2.gz VISYFEXUOWOWQH-UHFFFAOYSA-N 2 2 310.354 0.485 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000516465382 416724848 /nfs/dbraw/zinc/72/48/48/416724848.db2.gz UICPBIUZCZRYAZ-LBPRGKRZSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000516465382 416724850 /nfs/dbraw/zinc/72/48/50/416724850.db2.gz UICPBIUZCZRYAZ-LBPRGKRZSA-N 2 2 308.338 0.075 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000362687309 262061294 /nfs/dbraw/zinc/06/12/94/262061294.db2.gz WOROYDXXEMLSGZ-CQSZACIVSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000362687309 262061295 /nfs/dbraw/zinc/06/12/95/262061295.db2.gz WOROYDXXEMLSGZ-CQSZACIVSA-N 2 2 318.377 0.991 20 5 DCBDLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000547859041 288084953 /nfs/dbraw/zinc/08/49/53/288084953.db2.gz CASLJOIDMJWABS-UHFFFAOYSA-N 2 2 324.381 0.866 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151939 667869970 /nfs/dbraw/zinc/86/99/70/667869970.db2.gz NRAIOUIAYDXRAQ-WCBMZHEXSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151939 667869973 /nfs/dbraw/zinc/86/99/73/667869973.db2.gz NRAIOUIAYDXRAQ-WCBMZHEXSA-N 2 2 307.276 0.860 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284128 669173941 /nfs/dbraw/zinc/17/39/41/669173941.db2.gz QLMYVNIDFWYIPT-ARLBYUKCSA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284128 669173944 /nfs/dbraw/zinc/17/39/44/669173944.db2.gz QLMYVNIDFWYIPT-ARLBYUKCSA-N 2 2 321.377 0.826 20 5 DCBDLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987268 760545336 /nfs/dbraw/zinc/54/53/36/760545336.db2.gz HVMJFVQBZQGQGF-NEPJUHHUSA-N 2 2 309.370 0.509 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074564 760574350 /nfs/dbraw/zinc/57/43/50/760574350.db2.gz RLYRZYBLAPLKKE-SECBINFHSA-N 2 2 320.305 0.429 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157920216 771694193 /nfs/dbraw/zinc/69/41/93/771694193.db2.gz KFDBUUIEXQUHBJ-UHFFFAOYSA-N 2 2 322.325 0.370 20 5 DCBDLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593904014 397473162 /nfs/dbraw/zinc/47/31/62/397473162.db2.gz PHEDQEWIVCJSFK-LLVKDONJSA-N 2 2 310.354 0.499 20 5 DCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493001 397563101 /nfs/dbraw/zinc/56/31/01/397563101.db2.gz BSQAKRACLHQBAE-AWEZNQCLSA-N 2 2 318.377 0.946 20 5 DCBDLP CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609620244 397786602 /nfs/dbraw/zinc/78/66/02/397786602.db2.gz MSEBOYVHILKDRL-ZDUSSCGKSA-N 2 2 322.413 0.933 20 5 DCBDLP CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609620244 397786604 /nfs/dbraw/zinc/78/66/04/397786604.db2.gz MSEBOYVHILKDRL-ZDUSSCGKSA-N 2 2 322.413 0.933 20 5 DCBDLP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273950 159259611 /nfs/dbraw/zinc/25/96/11/159259611.db2.gz JWQIZNVWJVDDIL-TYNCELHUSA-N 2 2 316.361 0.851 20 5 DCBDLP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273950 159259613 /nfs/dbraw/zinc/25/96/13/159259613.db2.gz JWQIZNVWJVDDIL-TYNCELHUSA-N 2 2 316.361 0.851 20 5 DCBDLP C[N@H+](C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365881 415150965 /nfs/dbraw/zinc/15/09/65/415150965.db2.gz YFEKVWWBJDGCOK-AWEZNQCLSA-N 2 2 323.397 0.883 20 5 DCBDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365881 415150973 /nfs/dbraw/zinc/15/09/73/415150973.db2.gz YFEKVWWBJDGCOK-AWEZNQCLSA-N 2 2 323.397 0.883 20 5 DCBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485222 416656929 /nfs/dbraw/zinc/65/69/29/416656929.db2.gz OQISVUGDCOFIJZ-CQSZACIVSA-N 2 2 322.413 0.503 20 5 DCBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485222 416656932 /nfs/dbraw/zinc/65/69/32/416656932.db2.gz OQISVUGDCOFIJZ-CQSZACIVSA-N 2 2 322.413 0.503 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414839186 417305898 /nfs/dbraw/zinc/30/58/98/417305898.db2.gz FTXJFDRSAODGER-GFCCVEGCSA-N 2 2 323.349 0.988 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069240 272528385 /nfs/dbraw/zinc/52/83/85/272528385.db2.gz CZCKOANKISPCGO-TZMCWYRMSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069240 272528388 /nfs/dbraw/zinc/52/83/88/272528388.db2.gz CZCKOANKISPCGO-TZMCWYRMSA-N 2 2 320.349 0.217 20 5 DCBDLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000131483418 522458950 /nfs/dbraw/zinc/45/89/50/522458950.db2.gz BZAQNAWAXLQXNV-CQSZACIVSA-N 2 2 313.354 0.711 20 5 DCBDLP [NH3+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000237850232 527411207 /nfs/dbraw/zinc/41/12/07/527411207.db2.gz PCPVFOCKNGVOAH-NSHDSACASA-N 2 2 301.306 0.954 20 5 DCBDLP C[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805853 668514528 /nfs/dbraw/zinc/51/45/28/668514528.db2.gz GLWIDVBQYMEBFF-HNNXBMFYSA-N 2 2 306.366 0.933 20 5 DCBDLP C[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805853 668514529 /nfs/dbraw/zinc/51/45/29/668514529.db2.gz GLWIDVBQYMEBFF-HNNXBMFYSA-N 2 2 306.366 0.933 20 5 DCBDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255302 /nfs/dbraw/zinc/25/53/02/669255302.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 2 309.370 0.321 20 5 DCBDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255305 /nfs/dbraw/zinc/25/53/05/669255305.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 2 309.370 0.321 20 5 DCBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255308 /nfs/dbraw/zinc/25/53/08/669255308.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 2 309.370 0.321 20 5 DCBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255311 /nfs/dbraw/zinc/25/53/11/669255311.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 2 309.370 0.321 20 5 DCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000843061238 672057785 /nfs/dbraw/zinc/05/77/85/672057785.db2.gz CUYZPWGXJOQZBR-GJZGRUSLSA-N 2 2 309.366 0.675 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001578813770 1165126781 /nfs/dbraw/zinc/12/67/81/1165126781.db2.gz WAPRZDNEPYSDPC-UHFFFAOYSA-N 2 2 309.322 0.728 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001158204661 771741086 /nfs/dbraw/zinc/74/10/86/771741086.db2.gz SUBPCMVYTZKXEZ-SECBINFHSA-N 2 2 314.305 0.586 20 5 DCBDLP COc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160508921 772052779 /nfs/dbraw/zinc/05/27/79/772052779.db2.gz KUTHPXJPSJKLIE-CYBMUJFWSA-N 2 2 308.342 0.228 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161873106 772293590 /nfs/dbraw/zinc/29/35/90/772293590.db2.gz WOTBYDHUCARLRL-UHFFFAOYSA-N 2 2 323.353 0.611 20 5 DCBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423527499 240201301 /nfs/dbraw/zinc/20/13/01/240201301.db2.gz RMTKBEPNNRLVFH-RISCZKNCSA-N 2 2 322.365 0.890 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567180240 291341698 /nfs/dbraw/zinc/34/16/98/291341698.db2.gz CZOVDIYMHZQWMI-WZRBSPASSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567180240 291341700 /nfs/dbraw/zinc/34/17/00/291341700.db2.gz CZOVDIYMHZQWMI-WZRBSPASSA-N 2 2 304.350 0.900 20 5 DCBDLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295306076 546014094 /nfs/dbraw/zinc/01/40/94/546014094.db2.gz VNMMQZUEZOPVNS-YABSGUDNSA-N 2 2 313.317 0.728 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000923292674 667497832 /nfs/dbraw/zinc/49/78/32/667497832.db2.gz YZOZHLQPTHCNGK-HNNXBMFYSA-N 2 2 323.397 0.616 20 5 DCBDLP C[NH+](C)CCOc1cc(-n2[nH]c(=O)nc2C[NH3+])ccc1[N+](=O)[O-] ZINC001168760749 754594637 /nfs/dbraw/zinc/59/46/37/754594637.db2.gz FRLDFEKROZOQJI-UHFFFAOYSA-N 2 2 322.325 0.280 20 5 DCBDLP Cc1nc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157911084 771691257 /nfs/dbraw/zinc/69/12/57/771691257.db2.gz WZWCLDCQDWTWOQ-UHFFFAOYSA-N 2 2 313.749 0.941 20 5 DCBDLP COc1nc(C)c([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867000 772291935 /nfs/dbraw/zinc/29/19/35/772291935.db2.gz AUDVXKYQJPMMOW-UHFFFAOYSA-N 2 2 310.358 0.537 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001246307458 945381377 /nfs/dbraw/zinc/38/13/77/945381377.db2.gz MTDSEGLOQVLBQA-SUHUHFCYSA-N 2 2 309.366 0.704 20 5 DCBDLP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001335397372 952531524 /nfs/dbraw/zinc/53/15/24/952531524.db2.gz GGDNJKPEGKCWTA-MAZHCROVSA-N 2 2 322.409 0.852 20 5 DCBDLP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001335397372 952531527 /nfs/dbraw/zinc/53/15/27/952531527.db2.gz GGDNJKPEGKCWTA-MAZHCROVSA-N 2 2 322.409 0.852 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001348973505 954551538 /nfs/dbraw/zinc/55/15/38/954551538.db2.gz SCZVUJJTFIYHMF-MWLCHTKSSA-N 2 2 306.326 0.022 20 5 DCBDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850245 397595586 /nfs/dbraw/zinc/59/55/86/397595586.db2.gz RPWNWRHKNVOVBE-CYBMUJFWSA-N 2 2 323.397 0.976 20 5 DCBDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850245 397595587 /nfs/dbraw/zinc/59/55/87/397595587.db2.gz RPWNWRHKNVOVBE-CYBMUJFWSA-N 2 2 323.397 0.976 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817785 663485534 /nfs/dbraw/zinc/48/55/34/663485534.db2.gz IPQKZYZFPJMQIF-UHFFFAOYSA-N 2 2 309.370 0.636 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817785 663485535 /nfs/dbraw/zinc/48/55/35/663485535.db2.gz IPQKZYZFPJMQIF-UHFFFAOYSA-N 2 2 309.370 0.636 20 5 DCBDLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000931351026 669183997 /nfs/dbraw/zinc/18/39/97/669183997.db2.gz DZGCZBPEYFCDCA-ZDUSSCGKSA-N 2 2 311.386 0.568 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169073489 760572197 /nfs/dbraw/zinc/57/21/97/760572197.db2.gz JMCBUQMJZLOMMB-SECBINFHSA-N 2 2 302.294 0.290 20 5 DCBDLP COc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155372695 770479564 /nfs/dbraw/zinc/47/95/64/770479564.db2.gz IZCHHRVRAPWGCW-GFCCVEGCSA-N 2 2 321.381 0.858 20 5 DCBDLP COc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258440 771748372 /nfs/dbraw/zinc/74/83/72/771748372.db2.gz ZABJVQACKRQVBV-SNVBAGLBSA-N 2 2 322.369 0.395 20 5 DCBDLP COc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258440 771748373 /nfs/dbraw/zinc/74/83/73/771748373.db2.gz ZABJVQACKRQVBV-SNVBAGLBSA-N 2 2 322.369 0.395 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496170 291308957 /nfs/dbraw/zinc/30/89/57/291308957.db2.gz PFBAHRYNBOLLFD-RYUDHWBXSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496170 291308959 /nfs/dbraw/zinc/30/89/59/291308959.db2.gz PFBAHRYNBOLLFD-RYUDHWBXSA-N 2 2 320.349 0.217 20 5 DCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901708 396679521 /nfs/dbraw/zinc/67/95/21/396679521.db2.gz HURLHIXMLWHIMO-UHFFFAOYSA-N 2 2 322.365 0.546 20 5 DCBDLP C[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000571743777 396982808 /nfs/dbraw/zinc/98/28/08/396982808.db2.gz QFXRROIXFFKTBV-LBPRGKRZSA-N 2 2 311.317 0.841 20 5 DCBDLP C[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000571743777 396982814 /nfs/dbraw/zinc/98/28/14/396982814.db2.gz QFXRROIXFFKTBV-LBPRGKRZSA-N 2 2 311.317 0.841 20 5 DCBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742828 396995100 /nfs/dbraw/zinc/99/51/00/396995100.db2.gz JDIXYZMOKJCMBU-GXTWGEPZSA-N 2 2 311.386 0.616 20 5 DCBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453337 397823194 /nfs/dbraw/zinc/82/31/94/397823194.db2.gz NRBHQMHEHSTKSX-CQSZACIVSA-N 2 2 322.413 0.503 20 5 DCBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453337 397823198 /nfs/dbraw/zinc/82/31/98/397823198.db2.gz NRBHQMHEHSTKSX-CQSZACIVSA-N 2 2 322.413 0.503 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055416 416544841 /nfs/dbraw/zinc/54/48/41/416544841.db2.gz UBHYGRISASMJNU-NSHDSACASA-N 2 2 324.385 0.148 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055416 416544844 /nfs/dbraw/zinc/54/48/44/416544844.db2.gz UBHYGRISASMJNU-NSHDSACASA-N 2 2 324.385 0.148 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055413 416545770 /nfs/dbraw/zinc/54/57/70/416545770.db2.gz UBHYGRISASMJNU-LLVKDONJSA-N 2 2 324.385 0.148 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055413 416545773 /nfs/dbraw/zinc/54/57/73/416545773.db2.gz UBHYGRISASMJNU-LLVKDONJSA-N 2 2 324.385 0.148 20 5 DCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000558060852 416761318 /nfs/dbraw/zinc/76/13/18/416761318.db2.gz QZRSEKYRNZCFCS-CYBMUJFWSA-N 2 2 306.322 0.821 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414870409 417310430 /nfs/dbraw/zinc/31/04/30/417310430.db2.gz SMZBMNXCMLZOIS-LBPRGKRZSA-N 2 2 323.349 0.988 20 5 DCBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092225 274206420 /nfs/dbraw/zinc/20/64/20/274206420.db2.gz FQLJBQYWQAFTQI-SMDDNHRTSA-N 2 2 322.365 0.890 20 5 DCBDLP [NH3+]C1(C[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000342129804 279617631 /nfs/dbraw/zinc/61/76/31/279617631.db2.gz HLHBQKRWCNJDRH-UHFFFAOYSA-N 2 2 322.321 0.733 20 5 DCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577160 669067789 /nfs/dbraw/zinc/06/77/89/669067789.db2.gz HCDMRODRQNVWNZ-GXTWGEPZSA-N 2 2 306.366 0.783 20 5 DCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577160 669067794 /nfs/dbraw/zinc/06/77/94/669067794.db2.gz HCDMRODRQNVWNZ-GXTWGEPZSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577160 669067798 /nfs/dbraw/zinc/06/77/98/669067798.db2.gz HCDMRODRQNVWNZ-GXTWGEPZSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577160 669067802 /nfs/dbraw/zinc/06/78/02/669067802.db2.gz HCDMRODRQNVWNZ-GXTWGEPZSA-N 2 2 306.366 0.783 20 5 DCBDLP C[C@@]([NH3+])(C(=O)NCC[NH+]1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080686 1164234861 /nfs/dbraw/zinc/23/48/61/1164234861.db2.gz FWPODZQOSBUUFX-HNNXBMFYSA-N 2 2 304.350 0.757 20 5 DCBDLP COc1nc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735641 753973436 /nfs/dbraw/zinc/97/34/36/753973436.db2.gz BWNQAKOOUXWKSE-UHFFFAOYSA-N 2 2 309.330 0.296 20 5 DCBDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147871749 767867266 /nfs/dbraw/zinc/86/72/66/767867266.db2.gz KNTZBNUBEDOCCY-UHFFFAOYSA-N 2 2 317.349 0.777 20 5 DCBDLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001155372733 770479960 /nfs/dbraw/zinc/47/99/60/770479960.db2.gz JWRIDFPXNLJYKT-GFCCVEGCSA-N 2 2 309.345 0.988 20 5 DCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000593902800 397473508 /nfs/dbraw/zinc/47/35/08/397473508.db2.gz WRVUSZFGLIANPP-LLVKDONJSA-N 2 2 309.370 0.402 20 5 DCBDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595785 /nfs/dbraw/zinc/59/57/85/397595785.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 2 2 323.397 0.976 20 5 DCBDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595787 /nfs/dbraw/zinc/59/57/87/397595787.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 2 2 323.397 0.976 20 5 DCBDLP CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368176867 159379330 /nfs/dbraw/zinc/37/93/30/159379330.db2.gz CPVZRCYHZYSVFG-ZDUSSCGKSA-N 2 2 320.397 0.990 20 5 DCBDLP CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368176867 159379333 /nfs/dbraw/zinc/37/93/33/159379333.db2.gz CPVZRCYHZYSVFG-ZDUSSCGKSA-N 2 2 320.397 0.990 20 5 DCBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000906614188 663624106 /nfs/dbraw/zinc/62/41/06/663624106.db2.gz JNHLHZXUWNQHSH-LSDHHAIUSA-N 2 2 309.366 0.675 20 5 DCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000923323439 667507665 /nfs/dbraw/zinc/50/76/65/667507665.db2.gz YVQXRKCCBPXEGB-CQDKDKBSSA-N 2 2 306.366 0.567 20 5 DCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000843061237 672057828 /nfs/dbraw/zinc/05/78/28/672057828.db2.gz CUYZPWGXJOQZBR-CABCVRRESA-N 2 2 309.366 0.675 20 5 DCBDLP O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602520 1171039338 /nfs/dbraw/zinc/03/93/38/1171039338.db2.gz RQNVUHQTYDFIDF-AOOOYVTPSA-N 2 2 315.337 0.426 20 5 DCBDLP O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602520 1171039345 /nfs/dbraw/zinc/03/93/45/1171039345.db2.gz RQNVUHQTYDFIDF-AOOOYVTPSA-N 2 2 315.337 0.426 20 5 DCBDLP Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC001629046507 1171540860 /nfs/dbraw/zinc/54/08/60/1171540860.db2.gz CYVDGBVOHGXLQE-UHFFFAOYSA-N 2 2 323.397 0.912 20 5 DCBDLP Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC001629046507 1171540867 /nfs/dbraw/zinc/54/08/67/1171540867.db2.gz CYVDGBVOHGXLQE-UHFFFAOYSA-N 2 2 323.397 0.912 20 5 DCBDLP [NH3+]C1CC[NH+](CCNc2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161866970 772291907 /nfs/dbraw/zinc/29/19/07/772291907.db2.gz HTCUMTBVAGEWSY-UHFFFAOYSA-N 2 2 300.750 0.873 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250126 291345401 /nfs/dbraw/zinc/34/54/01/291345401.db2.gz BLPWHJJWKLFCHB-GXTWGEPZSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250126 291345403 /nfs/dbraw/zinc/34/54/03/291345403.db2.gz BLPWHJJWKLFCHB-GXTWGEPZSA-N 2 2 320.349 0.217 20 5 DCBDLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564093948 396809023 /nfs/dbraw/zinc/80/90/23/396809023.db2.gz QQWRJFVSMCVJQE-OAHLLOKOSA-N 2 2 308.382 0.687 20 5 DCBDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057699 /nfs/dbraw/zinc/05/76/99/397057699.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057703 /nfs/dbraw/zinc/05/77/03/397057703.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057708 /nfs/dbraw/zinc/05/77/08/397057708.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057713 /nfs/dbraw/zinc/05/77/13/397057713.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 2 323.397 0.789 20 5 DCBDLP [NH3+]C1(C[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000342134649 416286158 /nfs/dbraw/zinc/28/61/58/416286158.db2.gz KZMHMQHVYCYSTI-UHFFFAOYSA-N 2 2 304.350 0.955 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365657 667517006 /nfs/dbraw/zinc/51/70/06/667517006.db2.gz UAVTYCKIJPAFEN-KFWWJZLASA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365657 667517007 /nfs/dbraw/zinc/51/70/07/667517007.db2.gz UAVTYCKIJPAFEN-KFWWJZLASA-N 2 2 323.397 0.759 20 5 DCBDLP COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001579179292 1165231620 /nfs/dbraw/zinc/23/16/20/1165231620.db2.gz FHMSOASSJLOEEF-UHFFFAOYSA-N 2 2 322.365 0.756 20 5 DCBDLP Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001580449979 1165604902 /nfs/dbraw/zinc/60/49/02/1165604902.db2.gz ZIZSAEHLVWNLKM-UHFFFAOYSA-N 2 2 307.354 0.330 20 5 DCBDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153487745 769826954 /nfs/dbraw/zinc/82/69/54/769826954.db2.gz LRNVNJQQJHFYBQ-UHFFFAOYSA-N 2 2 309.351 0.759 20 5 DCBDLP COc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160510737 772053457 /nfs/dbraw/zinc/05/34/57/772053457.db2.gz JGMDRWZDQCOKCA-AWEZNQCLSA-N 2 2 307.354 0.833 20 5 DCBDLP COC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867042 772291480 /nfs/dbraw/zinc/29/14/80/772291480.db2.gz JQQXNBXVZAZYIA-UHFFFAOYSA-N 2 2 323.353 0.611 20 5 DCBDLP Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218859441 774316270 /nfs/dbraw/zinc/31/62/70/774316270.db2.gz NFIPCGRXQHXRJS-ABKXIKBNSA-N 2 2 322.372 0.993 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001262568058 947730045 /nfs/dbraw/zinc/73/00/45/947730045.db2.gz KTNXHIMGAUFWIG-QLFBSQMISA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001262568058 947730051 /nfs/dbraw/zinc/73/00/51/947730051.db2.gz KTNXHIMGAUFWIG-QLFBSQMISA-N 2 2 323.397 0.759 20 5 DCBDLP Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728038 291319940 /nfs/dbraw/zinc/31/99/40/291319940.db2.gz GPUHGERYYRDADO-CYBMUJFWSA-N 2 2 321.381 0.688 20 5 DCBDLP Cc1c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728038 291319942 /nfs/dbraw/zinc/31/99/42/291319942.db2.gz GPUHGERYYRDADO-CYBMUJFWSA-N 2 2 321.381 0.688 20 5 DCBDLP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273948 285001502 /nfs/dbraw/zinc/00/15/02/285001502.db2.gz JWQIZNVWJVDDIL-SLEUVZQESA-N 2 2 316.361 0.851 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571766 397782702 /nfs/dbraw/zinc/78/27/02/397782702.db2.gz IQRVHORJQOTJMU-LLVKDONJSA-N 2 2 321.381 0.821 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571766 397782706 /nfs/dbraw/zinc/78/27/06/397782706.db2.gz IQRVHORJQOTJMU-LLVKDONJSA-N 2 2 321.381 0.821 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883497 287220101 /nfs/dbraw/zinc/22/01/01/287220101.db2.gz BUBTXMLRBGPERC-LLVKDONJSA-N 2 2 306.370 0.965 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883497 287220104 /nfs/dbraw/zinc/22/01/04/287220104.db2.gz BUBTXMLRBGPERC-LLVKDONJSA-N 2 2 306.370 0.965 20 5 DCBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C[NH3+] ZINC000415055595 417323559 /nfs/dbraw/zinc/32/35/59/417323559.db2.gz NJZOBUDHVKNUTE-SNVBAGLBSA-N 2 2 305.281 0.948 20 5 DCBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C[NH3+] ZINC000415055595 417323574 /nfs/dbraw/zinc/32/35/74/417323574.db2.gz NJZOBUDHVKNUTE-SNVBAGLBSA-N 2 2 305.281 0.948 20 5 DCBDLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000575875202 417557750 /nfs/dbraw/zinc/55/77/50/417557750.db2.gz XTIBQLBRGZPWET-OAHLLOKOSA-N 2 2 308.382 0.687 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576053076 417575654 /nfs/dbraw/zinc/57/56/54/417575654.db2.gz AZGLCZZRCKRQFG-HONMWMINSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576053076 417575657 /nfs/dbraw/zinc/57/56/57/417575657.db2.gz AZGLCZZRCKRQFG-HONMWMINSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423527500 274206324 /nfs/dbraw/zinc/20/63/24/274206324.db2.gz RMTKBEPNNRLVFH-SMDDNHRTSA-N 2 2 322.365 0.890 20 5 DCBDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267246207 524040243 /nfs/dbraw/zinc/04/02/43/524040243.db2.gz LJCWDMFDBKUQDM-UHFFFAOYSA-N 2 2 309.370 0.679 20 5 DCBDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000899871669 663195684 /nfs/dbraw/zinc/19/56/84/663195684.db2.gz RZPJQWUSYKHNJT-UHFFFAOYSA-N 2 2 306.366 0.441 20 5 DCBDLP O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602522 1171040525 /nfs/dbraw/zinc/04/05/25/1171040525.db2.gz RQNVUHQTYDFIDF-UWVGGRQHSA-N 2 2 315.337 0.426 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169074547 760574315 /nfs/dbraw/zinc/57/43/15/760574315.db2.gz RBJXWKUQRMASHU-LLVKDONJSA-N 3 2 303.322 0.246 20 5 DCBDLP [NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512162 772054595 /nfs/dbraw/zinc/05/45/95/772054595.db2.gz SPTSVDCNDVHAEZ-ZDUSSCGKSA-N 2 2 322.325 0.733 20 5 DCBDLP Cc1nnc(C[NH3+])n1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163351833 772513153 /nfs/dbraw/zinc/51/31/53/772513153.db2.gz XZOLSLNFTHHSMO-SNAWJCMRSA-N 2 2 303.326 0.870 20 5 DCBDLP O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC001329491491 949637533 /nfs/dbraw/zinc/63/75/33/949637533.db2.gz TVJMDNAMHDMQHE-UHFFFAOYSA-N 2 2 304.350 0.732 20 5 DCBDLP O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC001329491491 949637544 /nfs/dbraw/zinc/63/75/44/949637544.db2.gz TVJMDNAMHDMQHE-UHFFFAOYSA-N 2 2 304.350 0.732 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410536 396577212 /nfs/dbraw/zinc/57/72/12/396577212.db2.gz KDNHPKBAGGKVKV-LBPRGKRZSA-N 2 2 317.349 0.980 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410536 396577213 /nfs/dbraw/zinc/57/72/13/396577213.db2.gz KDNHPKBAGGKVKV-LBPRGKRZSA-N 2 2 317.349 0.980 20 5 DCBDLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787549 397486993 /nfs/dbraw/zinc/48/69/93/397486993.db2.gz SCGFXEQGWBPVOI-NWDGAFQWSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787549 397486997 /nfs/dbraw/zinc/48/69/97/397486997.db2.gz SCGFXEQGWBPVOI-NWDGAFQWSA-N 2 2 320.349 0.347 20 5 DCBDLP [NH3+]CC[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000342381529 415158622 /nfs/dbraw/zinc/15/86/22/415158622.db2.gz GBRNOTLJRWTBGG-UHFFFAOYSA-N 2 2 324.337 0.146 20 5 DCBDLP [NH3+]CC[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000342381529 415158628 /nfs/dbraw/zinc/15/86/28/415158628.db2.gz GBRNOTLJRWTBGG-UHFFFAOYSA-N 2 2 324.337 0.146 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001348973506 954552897 /nfs/dbraw/zinc/55/28/97/954552897.db2.gz SCZVUJJTFIYHMF-ONGXEEELSA-N 2 2 306.326 0.022 20 5 DCBDLP Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728039 291320125 /nfs/dbraw/zinc/32/01/25/291320125.db2.gz GPUHGERYYRDADO-ZDUSSCGKSA-N 2 2 321.381 0.688 20 5 DCBDLP Cc1c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728039 291320128 /nfs/dbraw/zinc/32/01/28/291320128.db2.gz GPUHGERYYRDADO-ZDUSSCGKSA-N 2 2 321.381 0.688 20 5 DCBDLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001716 397124298 /nfs/dbraw/zinc/12/42/98/397124298.db2.gz WFGCJYMDLVAOIJ-GFCCVEGCSA-N 2 2 321.381 0.132 20 5 DCBDLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001716 397124304 /nfs/dbraw/zinc/12/43/04/397124304.db2.gz WFGCJYMDLVAOIJ-GFCCVEGCSA-N 2 2 321.381 0.132 20 5 DCBDLP C[N@H+](CCC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592473636 397185900 /nfs/dbraw/zinc/18/59/00/397185900.db2.gz KQOSCBGQAQNASJ-UHFFFAOYSA-N 2 2 310.310 0.543 20 5 DCBDLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592473636 397185902 /nfs/dbraw/zinc/18/59/02/397185902.db2.gz KQOSCBGQAQNASJ-UHFFFAOYSA-N 2 2 310.310 0.543 20 5 DCBDLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593904015 397473752 /nfs/dbraw/zinc/47/37/52/397473752.db2.gz PHEDQEWIVCJSFK-NSHDSACASA-N 2 2 310.354 0.499 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000579014706 397516510 /nfs/dbraw/zinc/51/65/10/397516510.db2.gz VNWARPRBJBNWPR-UHFFFAOYSA-N 2 2 323.397 0.618 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000174875719 416088621 /nfs/dbraw/zinc/08/86/21/416088621.db2.gz NZMNXVMMKZXNHY-CYBMUJFWSA-N 2 2 309.370 0.445 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122242 416195869 /nfs/dbraw/zinc/19/58/69/416195869.db2.gz HKLIWJAWGOBLFD-NSHDSACASA-N 2 2 308.338 0.583 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122242 416195872 /nfs/dbraw/zinc/19/58/72/416195872.db2.gz HKLIWJAWGOBLFD-NSHDSACASA-N 2 2 308.338 0.583 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516937927 416760733 /nfs/dbraw/zinc/76/07/33/416760733.db2.gz GTDGZHKZRCKHCW-UONOGXRCSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516937927 416760741 /nfs/dbraw/zinc/76/07/41/416760741.db2.gz GTDGZHKZRCKHCW-UONOGXRCSA-N 2 2 304.350 0.647 20 5 DCBDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569926 670750092 /nfs/dbraw/zinc/75/00/92/670750092.db2.gz LTKWDLUPXSBBAX-LLVKDONJSA-N 2 2 321.381 0.602 20 5 DCBDLP Nc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260020 771748766 /nfs/dbraw/zinc/74/87/66/771748766.db2.gz BYEKXGFAKBTUEV-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260020 771748768 /nfs/dbraw/zinc/74/87/68/771748768.db2.gz BYEKXGFAKBTUEV-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP COC(=O)[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[NH2+]1 ZINC001164308477 772643552 /nfs/dbraw/zinc/64/35/52/772643552.db2.gz LSFWKEXSWKFJNT-JQWIXIFHSA-N 2 2 306.322 0.513 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001262568056 947728708 /nfs/dbraw/zinc/72/87/08/947728708.db2.gz KTNXHIMGAUFWIG-ILXRZTDVSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001262568056 947728716 /nfs/dbraw/zinc/72/87/16/947728716.db2.gz KTNXHIMGAUFWIG-ILXRZTDVSA-N 2 2 323.397 0.759 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250127 291345217 /nfs/dbraw/zinc/34/52/17/291345217.db2.gz BLPWHJJWKLFCHB-JSGCOSHPSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250127 291345219 /nfs/dbraw/zinc/34/52/19/291345219.db2.gz BLPWHJJWKLFCHB-JSGCOSHPSA-N 2 2 320.349 0.217 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262559411 396155269 /nfs/dbraw/zinc/15/52/69/396155269.db2.gz UZMIDWOJBAVMFX-WCQYABFASA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262559411 396155273 /nfs/dbraw/zinc/15/52/73/396155273.db2.gz UZMIDWOJBAVMFX-WCQYABFASA-N 2 2 304.350 0.735 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893239 396508709 /nfs/dbraw/zinc/50/87/09/396508709.db2.gz NBEMRKUKIFCERK-NSHDSACASA-N 2 2 309.370 0.516 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893239 396508711 /nfs/dbraw/zinc/50/87/11/396508711.db2.gz NBEMRKUKIFCERK-NSHDSACASA-N 2 2 309.370 0.516 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769283 662214229 /nfs/dbraw/zinc/21/42/29/662214229.db2.gz QQGNDDIJBXZKRR-PHIMTYICSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769283 662214230 /nfs/dbraw/zinc/21/42/30/662214230.db2.gz QQGNDDIJBXZKRR-PHIMTYICSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncnc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769283 662214233 /nfs/dbraw/zinc/21/42/33/662214233.db2.gz QQGNDDIJBXZKRR-PHIMTYICSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1ncnc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769283 662214235 /nfs/dbraw/zinc/21/42/35/662214235.db2.gz QQGNDDIJBXZKRR-PHIMTYICSA-N 2 2 321.385 0.617 20 5 DCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000843061239 672057723 /nfs/dbraw/zinc/05/77/23/672057723.db2.gz CUYZPWGXJOQZBR-HUUCEWRRSA-N 2 2 309.366 0.675 20 5 DCBDLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001656984242 1173899946 /nfs/dbraw/zinc/89/99/46/1173899946.db2.gz DPBZFYNXEQCVSB-UHFFFAOYSA-N 2 2 306.366 0.767 20 5 DCBDLP COC(=O)c1ccc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168746573 754083318 /nfs/dbraw/zinc/08/33/18/754083318.db2.gz XJEGZNHZERFCGV-UHFFFAOYSA-N 2 2 321.337 0.975 20 5 DCBDLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001155371621 770479516 /nfs/dbraw/zinc/47/95/16/770479516.db2.gz CBHPOLBGHINVQH-NSHDSACASA-N 2 2 309.345 0.988 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000162285143 291243477 /nfs/dbraw/zinc/24/34/77/291243477.db2.gz AXJNJIADYNVBCP-CQSZACIVSA-N 2 2 306.366 0.629 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000162285143 291243478 /nfs/dbraw/zinc/24/34/78/291243478.db2.gz AXJNJIADYNVBCP-CQSZACIVSA-N 2 2 306.366 0.629 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483068 396145239 /nfs/dbraw/zinc/14/52/39/396145239.db2.gz KBLNTQIEHUAPMK-HNNXBMFYSA-N 2 2 304.350 0.879 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483068 396145241 /nfs/dbraw/zinc/14/52/41/396145241.db2.gz KBLNTQIEHUAPMK-HNNXBMFYSA-N 2 2 304.350 0.879 20 5 DCBDLP Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000530893569 396585979 /nfs/dbraw/zinc/58/59/79/396585979.db2.gz FIDVRVVTJJRGKY-UHFFFAOYSA-N 2 2 323.397 0.689 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000923292675 667497740 /nfs/dbraw/zinc/49/77/40/667497740.db2.gz YZOZHLQPTHCNGK-OAHLLOKOSA-N 2 2 323.397 0.616 20 5 DCBDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255271 /nfs/dbraw/zinc/25/52/71/669255271.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 2 309.370 0.321 20 5 DCBDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255273 /nfs/dbraw/zinc/25/52/73/669255273.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 2 309.370 0.321 20 5 DCBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255277 /nfs/dbraw/zinc/25/52/77/669255277.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 2 309.370 0.321 20 5 DCBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255279 /nfs/dbraw/zinc/25/52/79/669255279.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 2 309.370 0.321 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001580103370 1165504666 /nfs/dbraw/zinc/50/46/66/1165504666.db2.gz ZHAPUNWMSJRIKY-YPMHNXCESA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001580103370 1165504669 /nfs/dbraw/zinc/50/46/69/1165504669.db2.gz ZHAPUNWMSJRIKY-YPMHNXCESA-N 2 2 304.350 0.735 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001169074539 760574574 /nfs/dbraw/zinc/57/45/74/760574574.db2.gz QUTYXIYLPOTQAD-SSDOTTSWSA-N 2 2 320.334 0.647 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158263150 771750076 /nfs/dbraw/zinc/75/00/76/771750076.db2.gz ZUVLXIRUIZCMQZ-LBPRGKRZSA-N 2 2 321.381 0.538 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158263150 771750079 /nfs/dbraw/zinc/75/00/79/771750079.db2.gz ZUVLXIRUIZCMQZ-LBPRGKRZSA-N 2 2 321.381 0.538 20 5 DCBDLP COc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160514354 772055463 /nfs/dbraw/zinc/05/54/63/772055463.db2.gz VZMQLLWHRRXDJE-AWEZNQCLSA-N 2 2 322.369 0.537 20 5 DCBDLP O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CC[NH2+]CC1 ZINC001328490987 948920503 /nfs/dbraw/zinc/92/05/03/948920503.db2.gz ASUJCVTXWQNEGD-UHFFFAOYSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CC[NH2+]CC1 ZINC001328490987 948920517 /nfs/dbraw/zinc/92/05/17/948920517.db2.gz ASUJCVTXWQNEGD-UHFFFAOYSA-N 2 2 318.377 0.991 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735379 396994583 /nfs/dbraw/zinc/99/45/83/396994583.db2.gz YPKRDPSJFZOVHI-GXTWGEPZSA-N 2 2 309.370 0.226 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735379 396994585 /nfs/dbraw/zinc/99/45/85/396994585.db2.gz YPKRDPSJFZOVHI-GXTWGEPZSA-N 2 2 309.370 0.226 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)c1 ZINC000591754398 396997147 /nfs/dbraw/zinc/99/71/47/396997147.db2.gz IYLVHRZAQYSCDT-ZDUSSCGKSA-N 2 2 316.321 0.590 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000120763088 415781422 /nfs/dbraw/zinc/78/14/22/415781422.db2.gz GTWRYOIZPRXMKZ-VBROQKIQSA-N 2 2 304.350 0.709 20 5 DCBDLP COC(=O)c1cc([N+](=O)[O-])cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169074290 760573594 /nfs/dbraw/zinc/57/35/94/760573594.db2.gz JEEORJFJLBAQQP-SNVBAGLBSA-N 2 2 320.305 0.429 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001348973504 954552262 /nfs/dbraw/zinc/55/22/62/954552262.db2.gz SCZVUJJTFIYHMF-KOLCDFICSA-N 2 2 306.326 0.022 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000315634832 291253403 /nfs/dbraw/zinc/25/34/03/291253403.db2.gz VKVBVQGZTOZVKX-CYBMUJFWSA-N 2 2 308.342 0.419 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563438383 396736602 /nfs/dbraw/zinc/73/66/02/396736602.db2.gz CZXPKKSARFZORE-QWHCGFSZSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563438383 396736609 /nfs/dbraw/zinc/73/66/09/396736609.db2.gz CZXPKKSARFZORE-QWHCGFSZSA-N 2 2 320.349 0.347 20 5 DCBDLP C[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000571743775 396982046 /nfs/dbraw/zinc/98/20/46/396982046.db2.gz QFXRROIXFFKTBV-GFCCVEGCSA-N 2 2 311.317 0.841 20 5 DCBDLP C[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000571743775 396982048 /nfs/dbraw/zinc/98/20/48/396982048.db2.gz QFXRROIXFFKTBV-GFCCVEGCSA-N 2 2 311.317 0.841 20 5 DCBDLP Cc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016422 397014368 /nfs/dbraw/zinc/01/43/68/397014368.db2.gz VDVVJHJHOQIMCI-OLZOCXBDSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016422 397014372 /nfs/dbraw/zinc/01/43/72/397014372.db2.gz VDVVJHJHOQIMCI-OLZOCXBDSA-N 2 2 304.350 0.647 20 5 DCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014674 397180046 /nfs/dbraw/zinc/18/00/46/397180046.db2.gz UVJJEPPUKJMPAA-OAHLLOKOSA-N 2 2 323.349 0.522 20 5 DCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014674 397180049 /nfs/dbraw/zinc/18/00/49/397180049.db2.gz UVJJEPPUKJMPAA-OAHLLOKOSA-N 2 2 323.349 0.522 20 5 DCBDLP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273951 159259549 /nfs/dbraw/zinc/25/95/49/159259549.db2.gz JWQIZNVWJVDDIL-ZOWXZIJZSA-N 2 2 316.361 0.851 20 5 DCBDLP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273951 159259550 /nfs/dbraw/zinc/25/95/50/159259550.db2.gz JWQIZNVWJVDDIL-ZOWXZIJZSA-N 2 2 316.361 0.851 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883498 287220045 /nfs/dbraw/zinc/22/00/45/287220045.db2.gz BUBTXMLRBGPERC-NSHDSACASA-N 2 2 306.370 0.965 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883498 287220050 /nfs/dbraw/zinc/22/00/50/287220050.db2.gz BUBTXMLRBGPERC-NSHDSACASA-N 2 2 306.370 0.965 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000516465381 416724807 /nfs/dbraw/zinc/72/48/07/416724807.db2.gz UICPBIUZCZRYAZ-GFCCVEGCSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000516465381 416724809 /nfs/dbraw/zinc/72/48/09/416724809.db2.gz UICPBIUZCZRYAZ-GFCCVEGCSA-N 2 2 308.338 0.075 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414884491 417313210 /nfs/dbraw/zinc/31/32/10/417313210.db2.gz FJPYXDJERFSYEX-GFCCVEGCSA-N 2 2 323.349 0.974 20 5 DCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237884840 526657190 /nfs/dbraw/zinc/65/71/90/526657190.db2.gz FAGMSEWFVFPAHI-UHFFFAOYSA-N 2 2 301.306 0.826 20 5 DCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067715 /nfs/dbraw/zinc/06/77/15/669067715.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 2 2 306.366 0.783 20 5 DCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067720 /nfs/dbraw/zinc/06/77/20/669067720.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067727 /nfs/dbraw/zinc/06/77/27/669067727.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067733 /nfs/dbraw/zinc/06/77/33/669067733.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000931351022 669184602 /nfs/dbraw/zinc/18/46/02/669184602.db2.gz DZGCZBPEYFCDCA-CYBMUJFWSA-N 2 2 311.386 0.568 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])CC1 ZINC001168735717 753974625 /nfs/dbraw/zinc/97/46/25/753974625.db2.gz FHLDWYCPZJIORV-UHFFFAOYSA-N 2 2 314.733 0.476 20 5 DCBDLP Nc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158269326 771750529 /nfs/dbraw/zinc/75/05/29/771750529.db2.gz QPGSJGPQMZJBSB-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158269326 771750530 /nfs/dbraw/zinc/75/05/30/771750530.db2.gz QPGSJGPQMZJBSB-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000352550999 159247063 /nfs/dbraw/zinc/24/70/63/159247063.db2.gz SHAKUOPQKIXGHE-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000352550999 159247065 /nfs/dbraw/zinc/24/70/65/159247065.db2.gz SHAKUOPQKIXGHE-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576053075 417575870 /nfs/dbraw/zinc/57/58/70/417575870.db2.gz AZGLCZZRCKRQFG-DDTOSNHZSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576053075 417575873 /nfs/dbraw/zinc/57/58/73/417575873.db2.gz AZGLCZZRCKRQFG-DDTOSNHZSA-N 2 2 304.350 0.900 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686489 262061441 /nfs/dbraw/zinc/06/14/41/262061441.db2.gz AHPDDCVVFJYYHL-HNNXBMFYSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686489 262061443 /nfs/dbraw/zinc/06/14/43/262061443.db2.gz AHPDDCVVFJYYHL-HNNXBMFYSA-N 2 2 318.377 0.991 20 5 DCBDLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000903431675 663454543 /nfs/dbraw/zinc/45/45/43/663454543.db2.gz UXQYBTMIIBFGFW-OLZOCXBDSA-N 2 2 305.382 0.967 20 5 DCBDLP [NH3+]CCN(CCO)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001580308451 1165566028 /nfs/dbraw/zinc/56/60/28/1165566028.db2.gz ZLUUDPCPGLEPLY-UHFFFAOYSA-N 2 2 319.321 0.174 20 5 DCBDLP O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607077646 1170382236 /nfs/dbraw/zinc/38/22/36/1170382236.db2.gz QDANZVVMSIOMQH-TXEJJXNPSA-N 2 2 315.337 0.426 20 5 DCBDLP O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607077646 1170382244 /nfs/dbraw/zinc/38/22/44/1170382244.db2.gz QDANZVVMSIOMQH-TXEJJXNPSA-N 2 2 315.337 0.426 20 5 DCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001645219513 1172032741 /nfs/dbraw/zinc/03/27/41/1172032741.db2.gz SZVCVOYEYVISCB-UHFFFAOYSA-N 2 2 324.385 0.185 20 5 DCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001645219513 1172032743 /nfs/dbraw/zinc/03/27/43/1172032743.db2.gz SZVCVOYEYVISCB-UHFFFAOYSA-N 2 2 324.385 0.185 20 5 DCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000572631234 291580415 /nfs/dbraw/zinc/58/04/15/291580415.db2.gz BYIZGROJGXEZRU-GFCCVEGCSA-N 2 2 306.322 0.821 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779807 396665592 /nfs/dbraw/zinc/66/55/92/396665592.db2.gz HMWXTWWJYRFLSO-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779807 396665595 /nfs/dbraw/zinc/66/55/95/396665595.db2.gz HMWXTWWJYRFLSO-JTQLQIEISA-N 2 2 322.369 0.216 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000563003884 396692233 /nfs/dbraw/zinc/69/22/33/396692233.db2.gz XYULCVGTCAJOPO-ZFWWWQNUSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000563003884 396692236 /nfs/dbraw/zinc/69/22/36/396692236.db2.gz XYULCVGTCAJOPO-ZFWWWQNUSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)c1 ZINC000591754397 396997533 /nfs/dbraw/zinc/99/75/33/396997533.db2.gz IYLVHRZAQYSCDT-CYBMUJFWSA-N 2 2 316.321 0.590 20 5 DCBDLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163215 416203984 /nfs/dbraw/zinc/20/39/84/416203984.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 2 2 311.338 0.465 20 5 DCBDLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163215 416203987 /nfs/dbraw/zinc/20/39/87/416203987.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 2 2 311.338 0.465 20 5 DCBDLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000583430402 416462667 /nfs/dbraw/zinc/46/26/67/416462667.db2.gz RMUQVLGZAQCKLX-CYBMUJFWSA-N 2 2 321.381 0.422 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000583430402 416462672 /nfs/dbraw/zinc/46/26/72/416462672.db2.gz RMUQVLGZAQCKLX-CYBMUJFWSA-N 2 2 321.381 0.422 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068895 416536876 /nfs/dbraw/zinc/53/68/76/416536876.db2.gz PZSHCYJOAORYQQ-WCQYABFASA-N 2 2 320.353 0.375 20 5 DCBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068895 416536879 /nfs/dbraw/zinc/53/68/79/416536879.db2.gz PZSHCYJOAORYQQ-WCQYABFASA-N 2 2 320.353 0.375 20 5 DCBDLP [NH3+][C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430629780 287348592 /nfs/dbraw/zinc/34/85/92/287348592.db2.gz QMSRZTJGGBYNRV-SNVBAGLBSA-N 2 2 306.322 0.926 20 5 DCBDLP [NH3+][C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430629780 287348593 /nfs/dbraw/zinc/34/85/93/287348593.db2.gz QMSRZTJGGBYNRV-SNVBAGLBSA-N 2 2 306.322 0.926 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000576038060 417574386 /nfs/dbraw/zinc/57/43/86/417574386.db2.gz URLWRPIRXIMTPL-LLVKDONJSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000576038060 417574389 /nfs/dbraw/zinc/57/43/89/417574389.db2.gz URLWRPIRXIMTPL-LLVKDONJSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576519 261175214 /nfs/dbraw/zinc/17/52/14/261175214.db2.gz LUBCKXFWZBOAED-BTKRWWFXSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576519 261175216 /nfs/dbraw/zinc/17/52/16/261175216.db2.gz LUBCKXFWZBOAED-BTKRWWFXSA-N 2 2 304.350 0.709 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686166 262060676 /nfs/dbraw/zinc/06/06/76/262060676.db2.gz UMWHDUDYCSQVLQ-OAHLLOKOSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686166 262060679 /nfs/dbraw/zinc/06/06/79/262060679.db2.gz UMWHDUDYCSQVLQ-OAHLLOKOSA-N 2 2 318.377 0.991 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152171 667869306 /nfs/dbraw/zinc/86/93/06/667869306.db2.gz ZZYROOPDXHONMK-IUCAKERBSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152171 667869310 /nfs/dbraw/zinc/86/93/10/667869310.db2.gz ZZYROOPDXHONMK-IUCAKERBSA-N 2 2 307.276 0.860 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278964 669172511 /nfs/dbraw/zinc/17/25/11/669172511.db2.gz SSMWATHQGVSKEK-FOCJUVANSA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278964 669172514 /nfs/dbraw/zinc/17/25/14/669172514.db2.gz SSMWATHQGVSKEK-FOCJUVANSA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278963 669172528 /nfs/dbraw/zinc/17/25/28/669172528.db2.gz SSMWATHQGVSKEK-BCUIYNNISA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278963 669172534 /nfs/dbraw/zinc/17/25/34/669172534.db2.gz SSMWATHQGVSKEK-BCUIYNNISA-N 2 2 321.377 0.826 20 5 DCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855416718 670711007 /nfs/dbraw/zinc/71/10/07/670711007.db2.gz QJCNRXWMEWXALF-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855416718 670711012 /nfs/dbraw/zinc/71/10/12/670711012.db2.gz QJCNRXWMEWXALF-UHFFFAOYSA-N 2 2 323.397 0.790 20 5 DCBDLP Cc1nc(Cl)c([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204557 771741072 /nfs/dbraw/zinc/74/10/72/771741072.db2.gz QTKNQBCGNTXCLR-SSDOTTSWSA-N 2 2 312.717 0.394 20 5 DCBDLP [NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512161 772054411 /nfs/dbraw/zinc/05/44/11/772054411.db2.gz SPTSVDCNDVHAEZ-CYBMUJFWSA-N 2 2 322.325 0.733 20 5 DCBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423527498 240200043 /nfs/dbraw/zinc/20/00/43/240200043.db2.gz RMTKBEPNNRLVFH-FZMZJTMJSA-N 2 2 322.365 0.890 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567180239 291341884 /nfs/dbraw/zinc/34/18/84/291341884.db2.gz CZOVDIYMHZQWMI-NTZNESFSSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567180239 291341886 /nfs/dbraw/zinc/34/18/86/291341886.db2.gz CZOVDIYMHZQWMI-NTZNESFSSA-N 2 2 304.350 0.900 20 5 DCBDLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347063245 254125822 /nfs/dbraw/zinc/12/58/22/254125822.db2.gz IZUITUPUWDRLML-UHFFFAOYSA-N 2 2 306.366 0.767 20 5 DCBDLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347063245 254125824 /nfs/dbraw/zinc/12/58/24/254125824.db2.gz IZUITUPUWDRLML-UHFFFAOYSA-N 2 2 306.366 0.767 20 5 DCBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000596108749 396718485 /nfs/dbraw/zinc/71/84/85/396718485.db2.gz XIIZNPZOFKOZTJ-SNVBAGLBSA-N 2 2 311.338 0.844 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563438384 396737122 /nfs/dbraw/zinc/73/71/22/396737122.db2.gz CZXPKKSARFZORE-STQMWFEESA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563438384 396737128 /nfs/dbraw/zinc/73/71/28/396737128.db2.gz CZXPKKSARFZORE-STQMWFEESA-N 2 2 320.349 0.347 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600732516 396931962 /nfs/dbraw/zinc/93/19/62/396931962.db2.gz CCRAJMTZGCLXAN-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600732516 396931967 /nfs/dbraw/zinc/93/19/67/396931967.db2.gz CCRAJMTZGCLXAN-UHFFFAOYSA-N 2 2 310.354 0.749 20 5 DCBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742834 396995741 /nfs/dbraw/zinc/99/57/41/396995741.db2.gz JDIXYZMOKJCMBU-OCCSQVGLSA-N 2 2 311.386 0.616 20 5 DCBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000573621937 397187807 /nfs/dbraw/zinc/18/78/07/397187807.db2.gz RFPWONOQZCKVNA-UHFFFAOYSA-N 2 2 311.386 0.616 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602780106 397483082 /nfs/dbraw/zinc/48/30/82/397483082.db2.gz HGLXQDKFZORLDV-CQSZACIVSA-N 2 2 323.397 0.754 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602780106 397483086 /nfs/dbraw/zinc/48/30/86/397483086.db2.gz HGLXQDKFZORLDV-CQSZACIVSA-N 2 2 323.397 0.754 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000176263372 416122616 /nfs/dbraw/zinc/12/26/16/416122616.db2.gz URCYLYHQKIJZAL-ZDUSSCGKSA-N 2 2 309.370 0.445 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000176263372 416122619 /nfs/dbraw/zinc/12/26/19/416122619.db2.gz URCYLYHQKIJZAL-ZDUSSCGKSA-N 2 2 309.370 0.445 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068896 416536895 /nfs/dbraw/zinc/53/68/95/416536895.db2.gz PZSHCYJOAORYQQ-YPMHNXCESA-N 2 2 320.353 0.375 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068896 416536898 /nfs/dbraw/zinc/53/68/98/416536898.db2.gz PZSHCYJOAORYQQ-YPMHNXCESA-N 2 2 320.353 0.375 20 5 DCBDLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000530880834 417594652 /nfs/dbraw/zinc/59/46/52/417594652.db2.gz LUCWRHWIKOBHLR-UHFFFAOYSA-N 2 2 324.381 0.866 20 5 DCBDLP CC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075487 760576347 /nfs/dbraw/zinc/57/63/47/760576347.db2.gz RUGBIFCXFUNBCI-SNVBAGLBSA-N 2 2 319.321 0.601 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514320 772055673 /nfs/dbraw/zinc/05/56/73/772055673.db2.gz VJYMOPMKXNBOTE-CQSZACIVSA-N 2 2 307.354 0.372 20 5 DCBDLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491789 291307653 /nfs/dbraw/zinc/30/76/53/291307653.db2.gz ZCCCEACUDUYBIT-CHWSQXEVSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491789 291307656 /nfs/dbraw/zinc/30/76/56/291307656.db2.gz ZCCCEACUDUYBIT-CHWSQXEVSA-N 2 2 304.350 0.647 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000567708010 291371593 /nfs/dbraw/zinc/37/15/93/291371593.db2.gz HITRWHIJBUCLTQ-CYBMUJFWSA-N 2 2 320.353 0.475 20 5 DCBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007750 254120774 /nfs/dbraw/zinc/12/07/74/254120774.db2.gz DJVVFUCZLIPVTP-GQCTYLIASA-N 2 2 318.377 0.972 20 5 DCBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007750 254120776 /nfs/dbraw/zinc/12/07/76/254120776.db2.gz DJVVFUCZLIPVTP-GQCTYLIASA-N 2 2 318.377 0.972 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893236 396508966 /nfs/dbraw/zinc/50/89/66/396508966.db2.gz NBEMRKUKIFCERK-LLVKDONJSA-N 2 2 309.370 0.516 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893236 396508969 /nfs/dbraw/zinc/50/89/69/396508969.db2.gz NBEMRKUKIFCERK-LLVKDONJSA-N 2 2 309.370 0.516 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410535 396577287 /nfs/dbraw/zinc/57/72/87/396577287.db2.gz KDNHPKBAGGKVKV-GFCCVEGCSA-N 2 2 317.349 0.980 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410535 396577289 /nfs/dbraw/zinc/57/72/89/396577289.db2.gz KDNHPKBAGGKVKV-GFCCVEGCSA-N 2 2 317.349 0.980 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779808 396665641 /nfs/dbraw/zinc/66/56/41/396665641.db2.gz HMWXTWWJYRFLSO-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779808 396665647 /nfs/dbraw/zinc/66/56/47/396665647.db2.gz HMWXTWWJYRFLSO-SNVBAGLBSA-N 2 2 322.369 0.216 20 5 DCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611522634 396878398 /nfs/dbraw/zinc/87/83/98/396878398.db2.gz NQFLUPQACDTKBI-UHFFFAOYSA-N 2 2 306.366 0.801 20 5 DCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611522634 396878403 /nfs/dbraw/zinc/87/84/03/396878403.db2.gz NQFLUPQACDTKBI-UHFFFAOYSA-N 2 2 306.366 0.801 20 5 DCBDLP C[N@H+](CCOCC[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600738129 396933393 /nfs/dbraw/zinc/93/33/93/396933393.db2.gz ZVZSGEZODBEYMD-UHFFFAOYSA-N 2 2 322.365 0.391 20 5 DCBDLP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600738129 396933397 /nfs/dbraw/zinc/93/33/97/396933397.db2.gz ZVZSGEZODBEYMD-UHFFFAOYSA-N 2 2 322.365 0.391 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571586 397782585 /nfs/dbraw/zinc/78/25/85/397782585.db2.gz FDZXCNHWLGLINH-LLVKDONJSA-N 2 2 321.381 0.821 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571586 397782588 /nfs/dbraw/zinc/78/25/88/397782588.db2.gz FDZXCNHWLGLINH-LLVKDONJSA-N 2 2 321.381 0.821 20 5 DCBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414966581 417315905 /nfs/dbraw/zinc/31/59/05/417315905.db2.gz OOKQFUCMGKUOCG-CQSZACIVSA-N 2 2 308.382 0.987 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365656 667516976 /nfs/dbraw/zinc/51/69/76/667516976.db2.gz UAVTYCKIJPAFEN-ILXRZTDVSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365656 667516977 /nfs/dbraw/zinc/51/69/77/667516977.db2.gz UAVTYCKIJPAFEN-ILXRZTDVSA-N 2 2 323.397 0.759 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156184886 770741910 /nfs/dbraw/zinc/74/19/10/770741910.db2.gz HTSVOJFAYCNTIM-UHFFFAOYSA-N 2 2 323.397 0.975 20 5 DCBDLP Cn1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc([N+](=O)[O-])c1=O ZINC001164210860 772626577 /nfs/dbraw/zinc/62/65/77/772626577.db2.gz KAXVMTHBCFELQZ-UHFFFAOYSA-N 2 2 323.397 0.731 20 5 DCBDLP C[NH+]1CCN(C(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000314706447 396784668 /nfs/dbraw/zinc/78/46/68/396784668.db2.gz AXXYFJJWVSMHAT-UHFFFAOYSA-N 2 2 306.366 0.501 20 5 DCBDLP C[N@H+](CCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304543555 396731400 /nfs/dbraw/zinc/73/14/00/396731400.db2.gz RYKFBYXBLUCKAR-UHFFFAOYSA-N 2 2 311.386 0.570 20 5 DCBDLP C[N@@H+](CCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304543555 396731404 /nfs/dbraw/zinc/73/14/04/396731404.db2.gz RYKFBYXBLUCKAR-UHFFFAOYSA-N 2 2 311.386 0.570 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000602780099 397483162 /nfs/dbraw/zinc/48/31/62/397483162.db2.gz HGLXQDKFZORLDV-AWEZNQCLSA-N 2 2 323.397 0.754 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000602780099 397483166 /nfs/dbraw/zinc/48/31/66/397483166.db2.gz HGLXQDKFZORLDV-AWEZNQCLSA-N 2 2 323.397 0.754 20 5 DCBDLP C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CC[NH+](C)CC3)n2)CC1 ZINC000276616178 276930608 /nfs/dbraw/zinc/93/06/08/276930608.db2.gz UARFXKAKQAXUEL-UHFFFAOYSA-N 2 2 320.397 0.493 20 5 DCBDLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000131483618 522461103 /nfs/dbraw/zinc/46/11/03/522461103.db2.gz BZAQNAWAXLQXNV-AWEZNQCLSA-N 2 2 313.354 0.711 20 5 DCBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373532 522802926 /nfs/dbraw/zinc/80/29/26/522802926.db2.gz GYTBCFGOEOTPNB-ZDUSSCGKSA-N 2 2 308.342 0.371 20 5 DCBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373532 522802933 /nfs/dbraw/zinc/80/29/33/522802933.db2.gz GYTBCFGOEOTPNB-ZDUSSCGKSA-N 2 2 308.342 0.371 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151938 667869600 /nfs/dbraw/zinc/86/96/00/667869600.db2.gz NRAIOUIAYDXRAQ-SCZZXKLOSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151938 667869604 /nfs/dbraw/zinc/86/96/04/667869604.db2.gz NRAIOUIAYDXRAQ-SCZZXKLOSA-N 2 2 307.276 0.860 20 5 DCBDLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001168740864 754041643 /nfs/dbraw/zinc/04/16/43/754041643.db2.gz PODGLICHXISQET-UHFFFAOYSA-N 2 2 321.337 0.975 20 5 DCBDLP COc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155371539 770480299 /nfs/dbraw/zinc/48/02/99/770480299.db2.gz AUYXAGJFIGVKNB-LBPRGKRZSA-N 2 2 321.381 0.858 20 5 DCBDLP COc1ncnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001156182670 770741580 /nfs/dbraw/zinc/74/15/80/770741580.db2.gz ZYFXBWDSZMGXQI-UHFFFAOYSA-N 2 2 324.385 0.831 20 5 DCBDLP COc1nc(C)c([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915267 771692865 /nfs/dbraw/zinc/69/28/65/771692865.db2.gz OEQHLKDEANDQKL-UHFFFAOYSA-N 2 2 309.330 0.296 20 5 DCBDLP CCOc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001157915581 771693468 /nfs/dbraw/zinc/69/34/68/771693468.db2.gz SMWVKJKBPRNINJ-UHFFFAOYSA-N 2 2 308.342 0.983 20 5 DCBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258976 771747806 /nfs/dbraw/zinc/74/78/06/771747806.db2.gz NBLFHQVLJDZYQU-NSHDSACASA-N 2 2 307.354 0.230 20 5 DCBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258976 771747809 /nfs/dbraw/zinc/74/78/09/771747809.db2.gz NBLFHQVLJDZYQU-NSHDSACASA-N 2 2 307.354 0.230 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001246307459 945381088 /nfs/dbraw/zinc/38/10/88/945381088.db2.gz MTDSEGLOQVLBQA-VHRBIJSZSA-N 2 2 309.366 0.704 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490233 291307742 /nfs/dbraw/zinc/30/77/42/291307742.db2.gz FHHMTUQITGGQHX-BDSSXFGHSA-N 2 2 316.361 0.852 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490233 291307744 /nfs/dbraw/zinc/30/77/44/291307744.db2.gz FHHMTUQITGGQHX-BDSSXFGHSA-N 2 2 316.361 0.852 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266768167 396352834 /nfs/dbraw/zinc/35/28/34/396352834.db2.gz RMJLCXDTXXUTQO-CYBMUJFWSA-N 2 2 320.353 0.755 20 5 DCBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCO2)n1 ZINC000423545532 397395046 /nfs/dbraw/zinc/39/50/46/397395046.db2.gz CXROHTYNQGUDNB-FRRDWIJNSA-N 2 2 309.370 0.853 20 5 DCBDLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000583430403 416463020 /nfs/dbraw/zinc/46/30/20/416463020.db2.gz RMUQVLGZAQCKLX-ZDUSSCGKSA-N 2 2 321.381 0.422 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000583430403 416463026 /nfs/dbraw/zinc/46/30/26/416463026.db2.gz RMUQVLGZAQCKLX-ZDUSSCGKSA-N 2 2 321.381 0.422 20 5 DCBDLP CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836932 262152601 /nfs/dbraw/zinc/15/26/01/262152601.db2.gz DLEODPWIJVAZER-BFHYXJOUSA-N 2 2 310.398 0.279 20 5 DCBDLP CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836932 262152602 /nfs/dbraw/zinc/15/26/02/262152602.db2.gz DLEODPWIJVAZER-BFHYXJOUSA-N 2 2 310.398 0.279 20 5 DCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067639 /nfs/dbraw/zinc/06/76/39/669067639.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 2 2 306.366 0.783 20 5 DCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067645 /nfs/dbraw/zinc/06/76/45/669067645.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067650 /nfs/dbraw/zinc/06/76/50/669067650.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 2 2 306.366 0.783 20 5 DCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067655 /nfs/dbraw/zinc/06/76/55/669067655.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 2 2 306.366 0.783 20 5 DCBDLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135756212 766082512 /nfs/dbraw/zinc/08/25/12/766082512.db2.gz XKFJMNXPTNNEKV-UHFFFAOYSA-N 2 2 303.322 0.766 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158204645 771740713 /nfs/dbraw/zinc/74/07/13/771740713.db2.gz SLYXVZWFNVAMDA-SECBINFHSA-N 2 2 314.305 0.586 20 5 DCBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007754 254120737 /nfs/dbraw/zinc/12/07/37/254120737.db2.gz DJVVFUCZLIPVTP-XQRVVYSFSA-N 2 2 318.377 0.972 20 5 DCBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007754 254120739 /nfs/dbraw/zinc/12/07/39/254120739.db2.gz DJVVFUCZLIPVTP-XQRVVYSFSA-N 2 2 318.377 0.972 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959275 396289747 /nfs/dbraw/zinc/28/97/47/396289747.db2.gz GIWUYIDPHPDPNI-YPMHNXCESA-N 2 2 320.353 0.755 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959275 396289749 /nfs/dbraw/zinc/28/97/49/396289749.db2.gz GIWUYIDPHPDPNI-YPMHNXCESA-N 2 2 320.353 0.755 20 5 DCBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464912 397409127 /nfs/dbraw/zinc/40/91/27/397409127.db2.gz OCBUMVRYNLSQLM-AWEZNQCLSA-N 2 2 322.413 0.540 20 5 DCBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464912 397409131 /nfs/dbraw/zinc/40/91/31/397409131.db2.gz OCBUMVRYNLSQLM-AWEZNQCLSA-N 2 2 322.413 0.540 20 5 DCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000602794497 397488071 /nfs/dbraw/zinc/48/80/71/397488071.db2.gz CHTTUFNPHNSRNE-UHFFFAOYSA-N 2 2 319.369 0.655 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000579935779 397598558 /nfs/dbraw/zinc/59/85/58/397598558.db2.gz ZAXYERBTWXKAPI-FZMZJTMJSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000579935779 397598559 /nfs/dbraw/zinc/59/85/59/397598559.db2.gz ZAXYERBTWXKAPI-FZMZJTMJSA-N 2 2 321.381 0.940 20 5 DCBDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000360893397 416415417 /nfs/dbraw/zinc/41/54/17/416415417.db2.gz DHNUFEIXTFFUHI-UHFFFAOYSA-N 2 2 309.370 0.679 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068894 416535784 /nfs/dbraw/zinc/53/57/84/416535784.db2.gz PZSHCYJOAORYQQ-DGCLKSJQSA-N 2 2 320.353 0.375 20 5 DCBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068894 416535790 /nfs/dbraw/zinc/53/57/90/416535790.db2.gz PZSHCYJOAORYQQ-DGCLKSJQSA-N 2 2 320.353 0.375 20 5 DCBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430651739 417054390 /nfs/dbraw/zinc/05/43/90/417054390.db2.gz LZCBDTQEEUUWGJ-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430651739 417054394 /nfs/dbraw/zinc/05/43/94/417054394.db2.gz LZCBDTQEEUUWGJ-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640451 661342037 /nfs/dbraw/zinc/34/20/37/661342037.db2.gz AFSBZLUNXUTBEN-LBPRGKRZSA-N 2 2 323.349 0.927 20 5 DCBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640451 661342039 /nfs/dbraw/zinc/34/20/39/661342039.db2.gz AFSBZLUNXUTBEN-LBPRGKRZSA-N 2 2 323.349 0.927 20 5 DCBDLP Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001611958668 1171360074 /nfs/dbraw/zinc/36/00/74/1171360074.db2.gz PLUDVWBXAMHCIY-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001611958668 1171360093 /nfs/dbraw/zinc/36/00/93/1171360093.db2.gz PLUDVWBXAMHCIY-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987269 760545435 /nfs/dbraw/zinc/54/54/35/760545435.db2.gz HVMJFVQBZQGQGF-NWDGAFQWSA-N 2 2 309.370 0.509 20 5 DCBDLP COc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155364317 770477449 /nfs/dbraw/zinc/47/74/49/770477449.db2.gz XWTJJPCQKTUIMM-NSHDSACASA-N 2 2 322.369 0.253 20 5 DCBDLP [NH3+]C[C@]1(Nc2nc(Cl)ncc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160507823 772052825 /nfs/dbraw/zinc/05/28/25/772052825.db2.gz BLIOEFCDJUWBAQ-LBPRGKRZSA-N 2 2 312.761 0.873 20 5 DCBDLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562422 395835872 /nfs/dbraw/zinc/83/58/72/395835872.db2.gz VDEOPQANLXUGEC-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902250 396679711 /nfs/dbraw/zinc/67/97/11/396679711.db2.gz PJEOTYPWVHFGTQ-UHFFFAOYSA-N 2 2 322.365 0.546 20 5 DCBDLP O=C(CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600757145 396939321 /nfs/dbraw/zinc/93/93/21/396939321.db2.gz JJLFJCIPSRHBPM-GFCCVEGCSA-N 2 2 322.365 0.580 20 5 DCBDLP O=C(CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600757145 396939325 /nfs/dbraw/zinc/93/93/25/396939325.db2.gz JJLFJCIPSRHBPM-GFCCVEGCSA-N 2 2 322.365 0.580 20 5 DCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000593902092 397472543 /nfs/dbraw/zinc/47/25/43/397472543.db2.gz NHMBODYVLCWOBF-CYBMUJFWSA-N 2 2 309.370 0.402 20 5 DCBDLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390994 397816907 /nfs/dbraw/zinc/81/69/07/397816907.db2.gz GRVHIBHOIPURID-JSGCOSHPSA-N 2 2 311.386 0.615 20 5 DCBDLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390994 397816908 /nfs/dbraw/zinc/81/69/08/397816908.db2.gz GRVHIBHOIPURID-JSGCOSHPSA-N 2 2 311.386 0.615 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000176263387 416121412 /nfs/dbraw/zinc/12/14/12/416121412.db2.gz URCYLYHQKIJZAL-CYBMUJFWSA-N 2 2 309.370 0.445 20 5 DCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000176263387 416121413 /nfs/dbraw/zinc/12/14/13/416121413.db2.gz URCYLYHQKIJZAL-CYBMUJFWSA-N 2 2 309.370 0.445 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069238 416992759 /nfs/dbraw/zinc/99/27/59/416992759.db2.gz CZCKOANKISPCGO-JSGCOSHPSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069238 416992766 /nfs/dbraw/zinc/99/27/66/416992766.db2.gz CZCKOANKISPCGO-JSGCOSHPSA-N 2 2 320.349 0.217 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797728 417301836 /nfs/dbraw/zinc/30/18/36/417301836.db2.gz BLZWYBRFMHKXFL-LBPRGKRZSA-N 2 2 323.349 0.974 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675618 261175642 /nfs/dbraw/zinc/17/56/42/261175642.db2.gz HHICIRQNKNRILC-FMFIFOJESA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675618 261175645 /nfs/dbraw/zinc/17/56/45/261175645.db2.gz HHICIRQNKNRILC-FMFIFOJESA-N 2 2 304.350 0.709 20 5 DCBDLP CC[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870913997 667772235 /nfs/dbraw/zinc/77/22/35/667772235.db2.gz HUAXOAGMPNLEBP-HNNXBMFYSA-N 2 2 306.366 0.933 20 5 DCBDLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001155372734 770479943 /nfs/dbraw/zinc/47/99/43/770479943.db2.gz JWRIDFPXNLJYKT-LBPRGKRZSA-N 2 2 309.345 0.988 20 5 DCBDLP C[NH+](C)/C=C/c1cc(NC[C@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043852 771851304 /nfs/dbraw/zinc/85/13/04/771851304.db2.gz IPCJQBHQZBWBAR-PYEVWLCESA-N 2 2 307.354 0.922 20 5 DCBDLP COc1ncnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160514116 772055111 /nfs/dbraw/zinc/05/51/11/772055111.db2.gz UCPRQCCCBQNGFQ-ZDUSSCGKSA-N 2 2 308.342 0.228 20 5 DCBDLP COc1ncnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165353670 772727705 /nfs/dbraw/zinc/72/77/05/772727705.db2.gz UTOPZKGGIJGNGK-UHFFFAOYSA-N 2 2 304.310 0.576 20 5 DCBDLP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565589 945432986 /nfs/dbraw/zinc/43/29/86/945432986.db2.gz IAHVEMWDUDQLHW-PSOPSSQASA-N 2 2 309.366 0.928 20 5 DCBDLP COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565589 945432991 /nfs/dbraw/zinc/43/29/91/945432991.db2.gz IAHVEMWDUDQLHW-PSOPSSQASA-N 2 2 309.366 0.928 20 5 DCBDLP C[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000584828600 396626637 /nfs/dbraw/zinc/62/66/37/396626637.db2.gz GGOZWUFPFCJZDE-AWEZNQCLSA-N 2 2 321.381 0.422 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000584828600 396626639 /nfs/dbraw/zinc/62/66/39/396626639.db2.gz GGOZWUFPFCJZDE-AWEZNQCLSA-N 2 2 321.381 0.422 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000591270624 396891902 /nfs/dbraw/zinc/89/19/02/396891902.db2.gz ZCUBTARRSNKQAU-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000591270624 396891909 /nfs/dbraw/zinc/89/19/09/396891909.db2.gz ZCUBTARRSNKQAU-LLVKDONJSA-N 2 2 323.353 0.710 20 5 DCBDLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475089 397185212 /nfs/dbraw/zinc/18/52/12/397185212.db2.gz NFUGBWMWWWPIPF-BXUZGUMPSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475089 397185216 /nfs/dbraw/zinc/18/52/16/397185216.db2.gz NFUGBWMWWWPIPF-BXUZGUMPSA-N 2 2 322.365 0.971 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000579354825 397557371 /nfs/dbraw/zinc/55/73/71/397557371.db2.gz DTWAMEWAGHLKSY-LLVKDONJSA-N 2 2 307.354 0.108 20 5 DCBDLP C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000579354825 397557373 /nfs/dbraw/zinc/55/73/73/397557373.db2.gz DTWAMEWAGHLKSY-LLVKDONJSA-N 2 2 307.354 0.108 20 5 DCBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@H+]3CCCO)C2)c1 ZINC000877559758 668628483 /nfs/dbraw/zinc/62/84/83/668628483.db2.gz VAPBSNMBSAPBTC-MOKVOYLWSA-N 2 2 323.397 0.931 20 5 DCBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@@H+]3CCCO)C2)c1 ZINC000877559758 668628485 /nfs/dbraw/zinc/62/84/85/668628485.db2.gz VAPBSNMBSAPBTC-MOKVOYLWSA-N 2 2 323.397 0.931 20 5 DCBDLP COc1nc(C)c([N+](=O)[O-])c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160514355 772055838 /nfs/dbraw/zinc/05/58/38/772055838.db2.gz VZMQLLWHRRXDJE-CQSZACIVSA-N 2 2 322.369 0.537 20 5 DCBDLP C[NH+](C)C1(CNc2c[n+]([O-])ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164213241 772627132 /nfs/dbraw/zinc/62/71/32/772627132.db2.gz QNKOORDQDVYORM-UHFFFAOYSA-N 2 2 309.370 0.666 20 5 DCBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246300202 945379249 /nfs/dbraw/zinc/37/92/49/945379249.db2.gz QFBMJQKVCSZKEB-BLLLJJGKSA-N 2 2 320.393 0.734 20 5 DCBDLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491792 291307868 /nfs/dbraw/zinc/30/78/68/291307868.db2.gz ZCCCEACUDUYBIT-STQMWFEESA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491792 291307871 /nfs/dbraw/zinc/30/78/71/291307871.db2.gz ZCCCEACUDUYBIT-STQMWFEESA-N 2 2 304.350 0.647 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000563003879 396692533 /nfs/dbraw/zinc/69/25/33/396692533.db2.gz XYULCVGTCAJOPO-DZGCQCFKSA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000563003879 396692537 /nfs/dbraw/zinc/69/25/37/396692537.db2.gz XYULCVGTCAJOPO-DZGCQCFKSA-N 2 2 323.397 0.759 20 5 DCBDLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475157 397187026 /nfs/dbraw/zinc/18/70/26/397187026.db2.gz WKIXYVJXWBASMV-SMDDNHRTSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475157 397187031 /nfs/dbraw/zinc/18/70/31/397187031.db2.gz WKIXYVJXWBASMV-SMDDNHRTSA-N 2 2 322.365 0.971 20 5 DCBDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365882 415149667 /nfs/dbraw/zinc/14/96/67/415149667.db2.gz YFEKVWWBJDGCOK-CQSZACIVSA-N 2 2 323.397 0.883 20 5 DCBDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365882 415149677 /nfs/dbraw/zinc/14/96/77/415149677.db2.gz YFEKVWWBJDGCOK-CQSZACIVSA-N 2 2 323.397 0.883 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516937926 416760518 /nfs/dbraw/zinc/76/05/18/416760518.db2.gz GTDGZHKZRCKHCW-KGLIPLIRSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516937926 416760524 /nfs/dbraw/zinc/76/05/24/416760524.db2.gz GTDGZHKZRCKHCW-KGLIPLIRSA-N 2 2 304.350 0.647 20 5 DCBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430637747 287349644 /nfs/dbraw/zinc/34/96/44/287349644.db2.gz LZCBDTQEEUUWGJ-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430637747 287349645 /nfs/dbraw/zinc/34/96/45/287349645.db2.gz LZCBDTQEEUUWGJ-SNVBAGLBSA-N 2 2 308.338 0.965 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000576038061 417573908 /nfs/dbraw/zinc/57/39/08/417573908.db2.gz URLWRPIRXIMTPL-NSHDSACASA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000576038061 417573914 /nfs/dbraw/zinc/57/39/14/417573914.db2.gz URLWRPIRXIMTPL-NSHDSACASA-N 2 2 308.338 0.075 20 5 DCBDLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987270 760545304 /nfs/dbraw/zinc/54/53/04/760545304.db2.gz HVMJFVQBZQGQGF-RYUDHWBXSA-N 2 2 309.370 0.509 20 5 DCBDLP Cc1c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169074514 760573117 /nfs/dbraw/zinc/57/31/17/760573117.db2.gz QEHAQKYUDVWGEH-SECBINFHSA-N 2 2 321.293 0.859 20 5 DCBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246300205 945379960 /nfs/dbraw/zinc/37/99/60/945379960.db2.gz QFBMJQKVCSZKEB-WBMJQRKESA-N 2 2 320.393 0.734 20 5 DCBDLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466581 946397429 /nfs/dbraw/zinc/39/74/29/946397429.db2.gz FOBZANDXAJWESO-HUUCEWRRSA-N 2 2 306.366 0.879 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000581483791 396558247 /nfs/dbraw/zinc/55/82/47/396558247.db2.gz HETYKFNPHGLYOR-ZDUSSCGKSA-N 2 2 320.353 0.639 20 5 DCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000611522663 396878361 /nfs/dbraw/zinc/87/83/61/396878361.db2.gz QQMJUUXTVHUAMT-UHFFFAOYSA-N 2 2 306.366 0.801 20 5 DCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000611522663 396878367 /nfs/dbraw/zinc/87/83/67/396878367.db2.gz QQMJUUXTVHUAMT-UHFFFAOYSA-N 2 2 306.366 0.801 20 5 DCBDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057653 /nfs/dbraw/zinc/05/76/53/397057653.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057659 /nfs/dbraw/zinc/05/76/59/397057659.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057663 /nfs/dbraw/zinc/05/76/63/397057663.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 2 323.397 0.789 20 5 DCBDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057666 /nfs/dbraw/zinc/05/76/66/397057666.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 2 323.397 0.789 20 5 DCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593904309 397473071 /nfs/dbraw/zinc/47/30/71/397473071.db2.gz UVKUXOFGHJXORG-CYBMUJFWSA-N 2 2 310.354 0.369 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593904566 397473143 /nfs/dbraw/zinc/47/31/43/397473143.db2.gz ZLQNPRAUJAXTPO-GFCCVEGCSA-N 2 2 310.354 0.499 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571095 397782616 /nfs/dbraw/zinc/78/26/16/397782616.db2.gz YJCMSFHPTMZFLT-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571095 397782620 /nfs/dbraw/zinc/78/26/20/397782620.db2.gz YJCMSFHPTMZFLT-NSHDSACASA-N 2 2 308.386 0.909 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000174875706 416089120 /nfs/dbraw/zinc/08/91/20/416089120.db2.gz NZMNXVMMKZXNHY-ZDUSSCGKSA-N 2 2 309.370 0.445 20 5 DCBDLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357105311 271043246 /nfs/dbraw/zinc/04/32/46/271043246.db2.gz NVJMRIZWNIFWKR-UHFFFAOYSA-N 2 2 322.365 0.328 20 5 DCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000923298060 667499054 /nfs/dbraw/zinc/49/90/54/667499054.db2.gz QTZLHKQOOIPAAT-CQDKDKBSSA-N 2 2 306.366 0.567 20 5 DCBDLP CN1Cc2cc(NC(=[NH2+])N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2N1 ZINC001168746450 754083500 /nfs/dbraw/zinc/08/35/00/754083500.db2.gz QFDQPNFHBDCTNM-UHFFFAOYSA-N 2 2 319.369 0.961 20 5 DCBDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153487746 769826708 /nfs/dbraw/zinc/82/67/08/769826708.db2.gz LXEINNOGUITAPB-UHFFFAOYSA-N 2 2 303.322 0.697 20 5 DCBDLP COc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160508922 772052615 /nfs/dbraw/zinc/05/26/15/772052615.db2.gz KUTHPXJPSJKLIE-ZDUSSCGKSA-N 2 2 308.342 0.228 20 5 DCBDLP [NH3+]C1CC[NH+](CCNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001161867904 772291917 /nfs/dbraw/zinc/29/19/17/772291917.db2.gz VUNMLVHPMJTATI-UHFFFAOYSA-N 2 2 315.761 0.717 20 5 DCBDLP COc1ncc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206994 772625583 /nfs/dbraw/zinc/62/55/83/772625583.db2.gz OYWYQPCZZNEPKC-UHFFFAOYSA-N 2 2 324.385 0.831 20 5 DCBDLP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](CCO)CC1 ZINC000341584906 253398472 /nfs/dbraw/zinc/39/84/72/253398472.db2.gz MLSKMGUTJKLBOO-UHFFFAOYSA-N 2 2 324.381 0.145 20 5 DCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](CCO)CC1 ZINC000341584906 253398474 /nfs/dbraw/zinc/39/84/74/253398474.db2.gz MLSKMGUTJKLBOO-UHFFFAOYSA-N 2 2 324.381 0.145 20 5 DCBDLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564093927 396809467 /nfs/dbraw/zinc/80/94/67/396809467.db2.gz QQWRJFVSMCVJQE-HNNXBMFYSA-N 2 2 308.382 0.687 20 5 DCBDLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787548 397486376 /nfs/dbraw/zinc/48/63/76/397486376.db2.gz SCGFXEQGWBPVOI-NEPJUHHUSA-N 2 2 320.349 0.347 20 5 DCBDLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787548 397486381 /nfs/dbraw/zinc/48/63/81/397486381.db2.gz SCGFXEQGWBPVOI-NEPJUHHUSA-N 2 2 320.349 0.347 20 5 DCBDLP C[N@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000579812678 397593317 /nfs/dbraw/zinc/59/33/17/397593317.db2.gz VSGRFPHPQDAALS-AWEZNQCLSA-N 2 2 321.381 0.422 20 5 DCBDLP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920815 417078633 /nfs/dbraw/zinc/07/86/33/417078633.db2.gz WMVKHRUTKYZERV-RISCZKNCSA-N 2 2 304.350 0.981 20 5 DCBDLP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920815 417078638 /nfs/dbraw/zinc/07/86/38/417078638.db2.gz WMVKHRUTKYZERV-RISCZKNCSA-N 2 2 304.350 0.981 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686490 262060861 /nfs/dbraw/zinc/06/08/61/262060861.db2.gz AHPDDCVVFJYYHL-OAHLLOKOSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686490 262060863 /nfs/dbraw/zinc/06/08/63/262060863.db2.gz AHPDDCVVFJYYHL-OAHLLOKOSA-N 2 2 318.377 0.991 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895769104 662214087 /nfs/dbraw/zinc/21/40/87/662214087.db2.gz OENFVCUWEYKGPE-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895769104 662214088 /nfs/dbraw/zinc/21/40/88/662214088.db2.gz OENFVCUWEYKGPE-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895769104 662214089 /nfs/dbraw/zinc/21/40/89/662214089.db2.gz OENFVCUWEYKGPE-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895769104 662214090 /nfs/dbraw/zinc/21/40/90/662214090.db2.gz OENFVCUWEYKGPE-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001169066503 760568305 /nfs/dbraw/zinc/56/83/05/760568305.db2.gz GDZLZWZODISEFH-MRVPVSSYSA-N 2 2 302.294 0.519 20 5 DCBDLP COc1cc(C)c([N+](=O)[O-])cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073969 760573473 /nfs/dbraw/zinc/57/34/73/760573473.db2.gz OPDVCZBXSPXPOW-SNVBAGLBSA-N 2 2 306.322 0.960 20 5 DCBDLP CC(C)[NH+]1CC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157526732 771626001 /nfs/dbraw/zinc/62/60/01/771626001.db2.gz YVCOOICXZOYQEH-UHFFFAOYSA-N 2 2 321.385 0.299 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001157914522 771692383 /nfs/dbraw/zinc/69/23/83/771692383.db2.gz HEQUWGWTQKVZAL-UHFFFAOYSA-N 2 2 309.286 0.492 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559412 396155591 /nfs/dbraw/zinc/15/55/91/396155591.db2.gz UZMIDWOJBAVMFX-YPMHNXCESA-N 2 2 304.350 0.735 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559412 396155592 /nfs/dbraw/zinc/15/55/92/396155592.db2.gz UZMIDWOJBAVMFX-YPMHNXCESA-N 2 2 304.350 0.735 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171754 396491238 /nfs/dbraw/zinc/49/12/38/396491238.db2.gz VMVAHZOCEDOEHA-FZMZJTMJSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171754 396491240 /nfs/dbraw/zinc/49/12/40/396491240.db2.gz VMVAHZOCEDOEHA-FZMZJTMJSA-N 2 2 321.381 0.940 20 5 DCBDLP C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000592308180 397149755 /nfs/dbraw/zinc/14/97/55/397149755.db2.gz ADKOACTYHBHBTQ-GFCCVEGCSA-N 2 2 308.338 0.075 20 5 DCBDLP C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000592308180 397149760 /nfs/dbraw/zinc/14/97/60/397149760.db2.gz ADKOACTYHBHBTQ-GFCCVEGCSA-N 2 2 308.338 0.075 20 5 DCBDLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937538 416682874 /nfs/dbraw/zinc/68/28/74/416682874.db2.gz QAHGYKAWDPZFAD-GFCCVEGCSA-N 2 2 322.365 0.247 20 5 DCBDLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937538 416682879 /nfs/dbraw/zinc/68/28/79/416682879.db2.gz QAHGYKAWDPZFAD-GFCCVEGCSA-N 2 2 322.365 0.247 20 5 DCBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415055592 417324274 /nfs/dbraw/zinc/32/42/74/417324274.db2.gz NJZOBUDHVKNUTE-JTQLQIEISA-N 2 2 305.281 0.948 20 5 DCBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415055592 417324283 /nfs/dbraw/zinc/32/42/83/417324283.db2.gz NJZOBUDHVKNUTE-JTQLQIEISA-N 2 2 305.281 0.948 20 5 DCBDLP [NH3+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000237928500 527363029 /nfs/dbraw/zinc/36/30/29/527363029.db2.gz PCPVFOCKNGVOAH-LLVKDONJSA-N 2 2 301.306 0.954 20 5 DCBDLP [NH3+]C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152170 667869380 /nfs/dbraw/zinc/86/93/80/667869380.db2.gz ZZYROOPDXHONMK-DTWKUNHWSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152170 667869384 /nfs/dbraw/zinc/86/93/84/667869384.db2.gz ZZYROOPDXHONMK-DTWKUNHWSA-N 2 2 307.276 0.860 20 5 DCBDLP CCOc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169072806 760571806 /nfs/dbraw/zinc/57/18/06/760571806.db2.gz ZKFQGQMTYXGEJO-SECBINFHSA-N 2 2 307.310 0.436 20 5 DCBDLP Nc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262726 771749623 /nfs/dbraw/zinc/74/96/23/771749623.db2.gz UYLUZXSTTCWQLL-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262726 771749627 /nfs/dbraw/zinc/74/96/27/771749627.db2.gz UYLUZXSTTCWQLL-SNVBAGLBSA-N 2 2 306.370 0.574 20 5 DCBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488278 945419717 /nfs/dbraw/zinc/41/97/17/945419717.db2.gz JLDSDOGKKCPDJI-DGCLKSJQSA-N 2 2 308.382 0.685 20 5 DCBDLP [NH3+][C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246560111 945432946 /nfs/dbraw/zinc/43/29/46/945432946.db2.gz SYMQUPBAFKRBMG-HUUCEWRRSA-N 2 2 306.366 0.567 20 5 DCBDLP [NH3+][C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246560111 945432954 /nfs/dbraw/zinc/43/29/54/945432954.db2.gz SYMQUPBAFKRBMG-HUUCEWRRSA-N 2 2 306.366 0.567 20 5 DCBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000567725653 291373176 /nfs/dbraw/zinc/37/31/76/291373176.db2.gz DJZLWUATDTWXIA-SUNKGSAMSA-N 2 2 309.370 0.367 20 5 DCBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000567725653 291373178 /nfs/dbraw/zinc/37/31/78/291373178.db2.gz DJZLWUATDTWXIA-SUNKGSAMSA-N 2 2 309.370 0.367 20 5 DCBDLP Cn1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000360895735 416415940 /nfs/dbraw/zinc/41/59/40/416415940.db2.gz ZWVVFWNTLZEJQX-UHFFFAOYSA-N 2 2 323.397 0.689 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3ncc([N+](=O)[O-])n32)CC1 ZINC001168746357 754081730 /nfs/dbraw/zinc/08/17/30/754081730.db2.gz LTIZMQMJORDAJV-UHFFFAOYSA-N 2 2 303.326 0.837 20 5 DCBDLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595901127 396679098 /nfs/dbraw/zinc/67/90/98/396679098.db2.gz AQDSNLSCDSGGIN-UHFFFAOYSA-N 2 2 308.338 0.237 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000591270625 396891811 /nfs/dbraw/zinc/89/18/11/396891811.db2.gz ZCUBTARRSNKQAU-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000591270625 396891817 /nfs/dbraw/zinc/89/18/17/396891817.db2.gz ZCUBTARRSNKQAU-NSHDSACASA-N 2 2 323.353 0.710 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000591735387 396994504 /nfs/dbraw/zinc/99/45/04/396994504.db2.gz YPKRDPSJFZOVHI-JSGCOSHPSA-N 2 2 309.370 0.226 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000591735387 396994508 /nfs/dbraw/zinc/99/45/08/396994508.db2.gz YPKRDPSJFZOVHI-JSGCOSHPSA-N 2 2 309.370 0.226 20 5 DCBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989687 397543451 /nfs/dbraw/zinc/54/34/51/397543451.db2.gz ZFUDTBLWNVGEOH-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989687 397543454 /nfs/dbraw/zinc/54/34/54/397543454.db2.gz ZFUDTBLWNVGEOH-UHFFFAOYSA-N 2 2 320.393 0.843 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266768168 158893368 /nfs/dbraw/zinc/89/33/68/158893368.db2.gz RMJLCXDTXXUTQO-ZDUSSCGKSA-N 2 2 320.353 0.755 20 5 DCBDLP Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000892489984 658718930 /nfs/dbraw/zinc/71/89/30/658718930.db2.gz LMCCAXVISRIRRW-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000892489984 658718935 /nfs/dbraw/zinc/71/89/35/658718935.db2.gz LMCCAXVISRIRRW-LLVKDONJSA-N 2 2 308.386 0.909 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365659 667517132 /nfs/dbraw/zinc/51/71/32/667517132.db2.gz UAVTYCKIJPAFEN-RBSFLKMASA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365659 667517134 /nfs/dbraw/zinc/51/71/34/667517134.db2.gz UAVTYCKIJPAFEN-RBSFLKMASA-N 2 2 323.397 0.759 20 5 DCBDLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766972 1164785336 /nfs/dbraw/zinc/78/53/36/1164785336.db2.gz FAUJYTAHMXKVSJ-UKRRQHHQSA-N 2 2 306.366 0.979 20 5 DCBDLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577766972 1164785344 /nfs/dbraw/zinc/78/53/44/1164785344.db2.gz FAUJYTAHMXKVSJ-UKRRQHHQSA-N 2 2 306.366 0.979 20 5 DCBDLP COc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155371538 770479545 /nfs/dbraw/zinc/47/95/45/770479545.db2.gz AUYXAGJFIGVKNB-GFCCVEGCSA-N 2 2 321.381 0.858 20 5 DCBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258975 771747940 /nfs/dbraw/zinc/74/79/40/771747940.db2.gz NBLFHQVLJDZYQU-LLVKDONJSA-N 2 2 307.354 0.230 20 5 DCBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258975 771747943 /nfs/dbraw/zinc/74/79/43/771747943.db2.gz NBLFHQVLJDZYQU-LLVKDONJSA-N 2 2 307.354 0.230 20 5 DCBDLP Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101740 396702411 /nfs/dbraw/zinc/70/24/11/396702411.db2.gz LMZQTAZQFOQQJN-CYBMUJFWSA-N 2 2 306.366 0.547 20 5 DCBDLP Cc1c(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101740 396702413 /nfs/dbraw/zinc/70/24/13/396702413.db2.gz LMZQTAZQFOQQJN-CYBMUJFWSA-N 2 2 306.366 0.547 20 5 DCBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000596108748 396718676 /nfs/dbraw/zinc/71/86/76/396718676.db2.gz XIIZNPZOFKOZTJ-JTQLQIEISA-N 2 2 311.338 0.844 20 5 DCBDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791089 416876806 /nfs/dbraw/zinc/87/68/06/416876806.db2.gz WGRASXZBRPCLSK-CYBMUJFWSA-N 2 2 311.386 0.741 20 5 DCBDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791089 416876811 /nfs/dbraw/zinc/87/68/11/416876811.db2.gz WGRASXZBRPCLSK-CYBMUJFWSA-N 2 2 311.386 0.741 20 5 DCBDLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000575875201 417557251 /nfs/dbraw/zinc/55/72/51/417557251.db2.gz XTIBQLBRGZPWET-HNNXBMFYSA-N 2 2 308.382 0.687 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576534 261175823 /nfs/dbraw/zinc/17/58/23/261175823.db2.gz LUBCKXFWZBOAED-ZBKLQPJUSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576534 261175826 /nfs/dbraw/zinc/17/58/26/261175826.db2.gz LUBCKXFWZBOAED-ZBKLQPJUSA-N 2 2 304.350 0.709 20 5 DCBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000563631354 288694089 /nfs/dbraw/zinc/69/40/89/288694089.db2.gz MGNNDSMPLJGBTB-UHFFFAOYSA-N 2 2 311.386 0.616 20 5 DCBDLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154739 1165522380 /nfs/dbraw/zinc/52/23/80/1165522380.db2.gz LODREOWXOKWZJO-OAHLLOKOSA-N 2 2 322.365 0.709 20 5 DCBDLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154739 1165522386 /nfs/dbraw/zinc/52/23/86/1165522386.db2.gz LODREOWXOKWZJO-OAHLLOKOSA-N 2 2 322.365 0.709 20 5 DCBDLP CCOc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158206658 771740848 /nfs/dbraw/zinc/74/08/48/771740848.db2.gz WYHBSZYYMARGOU-SECBINFHSA-N 2 2 307.310 0.436 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158263149 771750032 /nfs/dbraw/zinc/75/00/32/771750032.db2.gz ZUVLXIRUIZCMQZ-GFCCVEGCSA-N 2 2 321.381 0.538 20 5 DCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158263149 771750035 /nfs/dbraw/zinc/75/00/35/771750035.db2.gz ZUVLXIRUIZCMQZ-GFCCVEGCSA-N 2 2 321.381 0.538 20 5 DCBDLP [NH3+]CC[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464911 946396308 /nfs/dbraw/zinc/39/63/08/946396308.db2.gz NJKQKULNMRKIFI-UHFFFAOYSA-N 2 2 308.382 0.817 20 5 DCBDLP [NH3+]CC[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464911 946396317 /nfs/dbraw/zinc/39/63/17/946396317.db2.gz NJKQKULNMRKIFI-UHFFFAOYSA-N 2 2 308.382 0.817 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959276 396289968 /nfs/dbraw/zinc/28/99/68/396289968.db2.gz GIWUYIDPHPDPNI-AAEUAGOBSA-N 2 2 320.353 0.755 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080959276 396289972 /nfs/dbraw/zinc/28/99/72/396289972.db2.gz GIWUYIDPHPDPNI-AAEUAGOBSA-N 2 2 320.353 0.755 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358154653 416202997 /nfs/dbraw/zinc/20/29/97/416202997.db2.gz QZQYGJRBPQEVKF-ZDUSSCGKSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358154653 416202998 /nfs/dbraw/zinc/20/29/98/416202998.db2.gz QZQYGJRBPQEVKF-ZDUSSCGKSA-N 2 2 322.365 0.891 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414884492 417313963 /nfs/dbraw/zinc/31/39/63/417313963.db2.gz FJPYXDJERFSYEX-LBPRGKRZSA-N 2 2 323.349 0.974 20 5 DCBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415033033 417324851 /nfs/dbraw/zinc/32/48/51/417324851.db2.gz IEWRDWFLIVVGIR-HBYGRHMLSA-N 2 2 321.333 0.454 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000362687306 262060656 /nfs/dbraw/zinc/06/06/56/262060656.db2.gz WOROYDXXEMLSGZ-AWEZNQCLSA-N 2 2 318.377 0.991 20 5 DCBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000362687306 262060660 /nfs/dbraw/zinc/06/06/60/262060660.db2.gz WOROYDXXEMLSGZ-AWEZNQCLSA-N 2 2 318.377 0.991 20 5 DCBDLP [NH3+]CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367117 262371882 /nfs/dbraw/zinc/37/18/82/262371882.db2.gz GUFXMGXSEZGBLB-UHFFFAOYSA-N 2 2 304.354 0.942 20 5 DCBDLP [NH3+]CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367117 262371883 /nfs/dbraw/zinc/37/18/83/262371883.db2.gz GUFXMGXSEZGBLB-UHFFFAOYSA-N 2 2 304.354 0.942 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689105 272204788 /nfs/dbraw/zinc/20/47/88/272204788.db2.gz QQEZWARWMQNXRG-MASHWEEQSA-N 2 2 322.340 0.848 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689105 272204791 /nfs/dbraw/zinc/20/47/91/272204791.db2.gz QQEZWARWMQNXRG-MASHWEEQSA-N 2 2 322.340 0.848 20 5 DCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000558060853 288436564 /nfs/dbraw/zinc/43/65/64/288436564.db2.gz QZRSEKYRNZCFCS-ZDUSSCGKSA-N 2 2 306.322 0.821 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000387858638 333181085 /nfs/dbraw/zinc/18/10/85/333181085.db2.gz GTWRYOIZPRXMKZ-GXMNPTEKSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000387858638 333181087 /nfs/dbraw/zinc/18/10/87/333181087.db2.gz GTWRYOIZPRXMKZ-GXMNPTEKSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000933736586 657777080 /nfs/dbraw/zinc/77/70/80/657777080.db2.gz XLDKMVOITXDORE-DOMZBBRYSA-N 2 2 306.366 0.640 20 5 DCBDLP C[N@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000933736586 657777087 /nfs/dbraw/zinc/77/70/87/657777087.db2.gz XLDKMVOITXDORE-DOMZBBRYSA-N 2 2 306.366 0.640 20 5 DCBDLP C[NH+]1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000933736586 657777094 /nfs/dbraw/zinc/77/70/94/657777094.db2.gz XLDKMVOITXDORE-DOMZBBRYSA-N 2 2 306.366 0.640 20 5 DCBDLP C[NH+]1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000933736586 657777099 /nfs/dbraw/zinc/77/70/99/657777099.db2.gz XLDKMVOITXDORE-DOMZBBRYSA-N 2 2 306.366 0.640 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151937 667870010 /nfs/dbraw/zinc/87/00/10/667870010.db2.gz NRAIOUIAYDXRAQ-PSASIEDQSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151937 667870013 /nfs/dbraw/zinc/87/00/13/667870013.db2.gz NRAIOUIAYDXRAQ-PSASIEDQSA-N 2 2 307.276 0.860 20 5 DCBDLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154738 1165521687 /nfs/dbraw/zinc/52/16/87/1165521687.db2.gz LODREOWXOKWZJO-HNNXBMFYSA-N 2 2 322.365 0.709 20 5 DCBDLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154738 1165521695 /nfs/dbraw/zinc/52/16/95/1165521695.db2.gz LODREOWXOKWZJO-HNNXBMFYSA-N 2 2 322.365 0.709 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158209284 771741627 /nfs/dbraw/zinc/74/16/27/771741627.db2.gz OXPSWAMGYBOADJ-SECBINFHSA-N 2 2 314.305 0.586 20 5 DCBDLP Nc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158269325 771750450 /nfs/dbraw/zinc/75/04/50/771750450.db2.gz QPGSJGPQMZJBSB-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP Nc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158269325 771750453 /nfs/dbraw/zinc/75/04/53/771750453.db2.gz QPGSJGPQMZJBSB-JTQLQIEISA-N 2 2 306.370 0.574 20 5 DCBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950453 /nfs/dbraw/zinc/95/04/53/395950453.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950457 /nfs/dbraw/zinc/95/04/57/395950457.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950459 /nfs/dbraw/zinc/95/04/59/395950459.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950462 /nfs/dbraw/zinc/95/04/62/395950462.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 2 2 323.397 0.711 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171756 396491474 /nfs/dbraw/zinc/49/14/74/396491474.db2.gz VMVAHZOCEDOEHA-SMDDNHRTSA-N 2 2 321.381 0.940 20 5 DCBDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171756 396491476 /nfs/dbraw/zinc/49/14/76/396491476.db2.gz VMVAHZOCEDOEHA-SMDDNHRTSA-N 2 2 321.381 0.940 20 5 DCBDLP O=C(NCC1C[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262057026 287127578 /nfs/dbraw/zinc/12/75/78/287127578.db2.gz XPFQYGHIJTUKQR-UHFFFAOYSA-N 2 2 301.306 0.730 20 5 DCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265344 416737448 /nfs/dbraw/zinc/73/74/48/416737448.db2.gz FWRPTPWFFGRURQ-SNVBAGLBSA-N 2 2 321.385 0.547 20 5 DCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265344 416737456 /nfs/dbraw/zinc/73/74/56/416737456.db2.gz FWRPTPWFFGRURQ-SNVBAGLBSA-N 2 2 321.385 0.547 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069239 416991694 /nfs/dbraw/zinc/99/16/94/416991694.db2.gz CZCKOANKISPCGO-OCCSQVGLSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069239 416991703 /nfs/dbraw/zinc/99/17/03/416991703.db2.gz CZCKOANKISPCGO-OCCSQVGLSA-N 2 2 320.349 0.217 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000569104274 417214728 /nfs/dbraw/zinc/21/47/28/417214728.db2.gz BYDKGTBLGMRPGU-GFCCVEGCSA-N 2 2 322.365 0.465 20 5 DCBDLP C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000569104274 417214735 /nfs/dbraw/zinc/21/47/35/417214735.db2.gz BYDKGTBLGMRPGU-GFCCVEGCSA-N 2 2 322.365 0.465 20 5 DCBDLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000415094523 417329188 /nfs/dbraw/zinc/32/91/88/417329188.db2.gz KDIJSJDLEJXIMG-NSHDSACASA-N 2 2 311.338 0.690 20 5 DCBDLP [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001580380363 1165589690 /nfs/dbraw/zinc/58/96/90/1165589690.db2.gz VEYSOYVRVBPSTJ-LLVKDONJSA-N 2 2 301.306 0.954 20 5 DCBDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153487926 769827571 /nfs/dbraw/zinc/82/75/71/769827571.db2.gz SRWIAOJMYVATIW-UHFFFAOYSA-N 2 2 303.322 0.697 20 5 DCBDLP COC(=O)c1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867881 772291513 /nfs/dbraw/zinc/29/15/13/772291513.db2.gz UXCSVNKFPIKUNI-UHFFFAOYSA-N 2 2 323.353 0.611 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488277 945419457 /nfs/dbraw/zinc/41/94/57/945419457.db2.gz JLDSDOGKKCPDJI-AAEUAGOBSA-N 2 2 308.382 0.685 20 5 DCBDLP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001335397374 952531494 /nfs/dbraw/zinc/53/14/94/952531494.db2.gz GGDNJKPEGKCWTA-VBNZEHGJSA-N 2 2 322.409 0.852 20 5 DCBDLP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335397374 952531497 /nfs/dbraw/zinc/53/14/97/952531497.db2.gz GGDNJKPEGKCWTA-VBNZEHGJSA-N 2 2 322.409 0.852 20 5 DCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483077 396145509 /nfs/dbraw/zinc/14/55/09/396145509.db2.gz KBLNTQIEHUAPMK-OAHLLOKOSA-N 2 2 304.350 0.879 20 5 DCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483077 396145511 /nfs/dbraw/zinc/14/55/11/396145511.db2.gz KBLNTQIEHUAPMK-OAHLLOKOSA-N 2 2 304.350 0.879 20 5 DCBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464914 397409604 /nfs/dbraw/zinc/40/96/04/397409604.db2.gz OCBUMVRYNLSQLM-CQSZACIVSA-N 2 2 322.413 0.540 20 5 DCBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464914 397409610 /nfs/dbraw/zinc/40/96/10/397409610.db2.gz OCBUMVRYNLSQLM-CQSZACIVSA-N 2 2 322.413 0.540 20 5 DCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593906546 416549065 /nfs/dbraw/zinc/54/90/65/416549065.db2.gz IYFYFYLUTJGHSY-SNVBAGLBSA-N 2 2 306.326 0.689 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430638910 417052754 /nfs/dbraw/zinc/05/27/54/417052754.db2.gz GOGASRKXRITGQZ-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430638910 417052765 /nfs/dbraw/zinc/05/27/65/417052765.db2.gz GOGASRKXRITGQZ-JTQLQIEISA-N 2 2 308.338 0.965 20 5 DCBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415092223 417327294 /nfs/dbraw/zinc/32/72/94/417327294.db2.gz FQLJBQYWQAFTQI-RISCZKNCSA-N 2 2 322.365 0.890 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncnc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769282 662214373 /nfs/dbraw/zinc/21/43/73/662214373.db2.gz QQGNDDIJBXZKRR-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncnc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769282 662214377 /nfs/dbraw/zinc/21/43/77/662214377.db2.gz QQGNDDIJBXZKRR-GHMZBOCLSA-N 2 2 321.385 0.617 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365658 667517002 /nfs/dbraw/zinc/51/70/02/667517002.db2.gz UAVTYCKIJPAFEN-QLFBSQMISA-N 2 2 323.397 0.759 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365658 667517003 /nfs/dbraw/zinc/51/70/03/667517003.db2.gz UAVTYCKIJPAFEN-QLFBSQMISA-N 2 2 323.397 0.759 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1 ZINC001168734908 753964431 /nfs/dbraw/zinc/96/44/31/753964431.db2.gz DFINXSMGLWOVHK-UHFFFAOYSA-N 2 2 304.314 0.460 20 5 DCBDLP COC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157915203 771691936 /nfs/dbraw/zinc/69/19/36/771691936.db2.gz LAXLFTMBTNBCSB-UHFFFAOYSA-N 2 2 322.325 0.370 20 5 DCBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001246307457 945380665 /nfs/dbraw/zinc/38/06/65/945380665.db2.gz MTDSEGLOQVLBQA-JKOKRWQUSA-N 2 2 309.366 0.704 20 5 DCBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488280 945419665 /nfs/dbraw/zinc/41/96/65/945419665.db2.gz JLDSDOGKKCPDJI-YPMHNXCESA-N 2 2 308.382 0.685 20 5 DCBDLP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001335397373 952532024 /nfs/dbraw/zinc/53/20/24/952532024.db2.gz GGDNJKPEGKCWTA-RCBQFDQVSA-N 2 2 322.409 0.852 20 5 DCBDLP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335397373 952532028 /nfs/dbraw/zinc/53/20/28/952532028.db2.gz GGDNJKPEGKCWTA-RCBQFDQVSA-N 2 2 322.409 0.852 20 5 DCBDLP C[N@H+](CCCn1cc[nH+]c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181064989 199246913 /nfs/dbraw/zinc/24/69/13/199246913.db2.gz IZGBFNJSQBPTKQ-UHFFFAOYSA-N 2 2 305.338 0.975 20 5 DCBDLP C[N@@H+](CCCn1cc[nH+]c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181064989 199246915 /nfs/dbraw/zinc/24/69/15/199246915.db2.gz IZGBFNJSQBPTKQ-UHFFFAOYSA-N 2 2 305.338 0.975 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595471130 396614214 /nfs/dbraw/zinc/61/42/14/396614214.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 2 2 323.397 0.978 20 5 DCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595471130 396614216 /nfs/dbraw/zinc/61/42/16/396614216.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 2 2 323.397 0.978 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516937928 416759987 /nfs/dbraw/zinc/75/99/87/416759987.db2.gz GTDGZHKZRCKHCW-ZIAGYGMSSA-N 2 2 304.350 0.647 20 5 DCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516937928 416759993 /nfs/dbraw/zinc/75/99/93/416759993.db2.gz GTDGZHKZRCKHCW-ZIAGYGMSSA-N 2 2 304.350 0.647 20 5 DCBDLP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920813 417079222 /nfs/dbraw/zinc/07/92/22/417079222.db2.gz WMVKHRUTKYZERV-BXUZGUMPSA-N 2 2 304.350 0.981 20 5 DCBDLP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920813 417079226 /nfs/dbraw/zinc/07/92/26/417079226.db2.gz WMVKHRUTKYZERV-BXUZGUMPSA-N 2 2 304.350 0.981 20 5 DCBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423527497 279247033 /nfs/dbraw/zinc/24/70/33/279247033.db2.gz RMTKBEPNNRLVFH-BXUZGUMPSA-N 2 2 322.365 0.890 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266900106 527416130 /nfs/dbraw/zinc/41/61/30/527416130.db2.gz GIWUYIDPHPDPNI-DGCLKSJQSA-N 2 2 320.353 0.755 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266900106 527416136 /nfs/dbraw/zinc/41/61/36/527416136.db2.gz GIWUYIDPHPDPNI-DGCLKSJQSA-N 2 2 320.353 0.755 20 5 DCBDLP COc1nc(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168737472 753999320 /nfs/dbraw/zinc/99/93/20/753999320.db2.gz YVBGORCFWWKLNI-UHFFFAOYSA-N 2 2 308.342 0.901 20 5 DCBDLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134407008 765508030 /nfs/dbraw/zinc/50/80/30/765508030.db2.gz MFIHHRPTCNUMNB-UHFFFAOYSA-N 2 2 303.322 0.766 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158206211 771741113 /nfs/dbraw/zinc/74/11/13/771741113.db2.gz CZFDNLZWVJTNRW-MRVPVSSYSA-N 2 2 302.294 0.519 20 5 DCBDLP COc1ncnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262912 771749956 /nfs/dbraw/zinc/74/99/56/771749956.db2.gz XEKBQKNZWTZIHO-SNVBAGLBSA-N 2 2 322.369 0.395 20 5 DCBDLP COc1ncnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262912 771749958 /nfs/dbraw/zinc/74/99/58/771749958.db2.gz XEKBQKNZWTZIHO-SNVBAGLBSA-N 2 2 322.369 0.395 20 5 DCBDLP COc1ncnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160514113 772055654 /nfs/dbraw/zinc/05/56/54/772055654.db2.gz UCPRQCCCBQNGFQ-CYBMUJFWSA-N 2 2 308.342 0.228 20 5 DCBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)n1 ZINC000423545535 240203701 /nfs/dbraw/zinc/20/37/01/240203701.db2.gz CXROHTYNQGUDNB-YNEHKIRRSA-N 2 2 309.370 0.853 20 5 DCBDLP O=C(CC[NH2+]CC[N@H+]1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600760043 396939351 /nfs/dbraw/zinc/93/93/51/396939351.db2.gz JJLFJCIPSRHBPM-LBPRGKRZSA-N 2 2 322.365 0.580 20 5 DCBDLP O=C(CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600760043 396939352 /nfs/dbraw/zinc/93/93/52/396939352.db2.gz JJLFJCIPSRHBPM-LBPRGKRZSA-N 2 2 322.365 0.580 20 5 DCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014673 397179792 /nfs/dbraw/zinc/17/97/92/397179792.db2.gz UVJJEPPUKJMPAA-HNNXBMFYSA-N 2 2 323.349 0.522 20 5 DCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014673 397179796 /nfs/dbraw/zinc/17/97/96/397179796.db2.gz UVJJEPPUKJMPAA-HNNXBMFYSA-N 2 2 323.349 0.522 20 5 DCBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177342529 287054167 /nfs/dbraw/zinc/05/41/67/287054167.db2.gz MZZGNDKGPULQQS-VNHYZAJKSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177342529 287054170 /nfs/dbraw/zinc/05/41/70/287054170.db2.gz MZZGNDKGPULQQS-VNHYZAJKSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177342529 287054172 /nfs/dbraw/zinc/05/41/72/287054172.db2.gz MZZGNDKGPULQQS-VNHYZAJKSA-N 2 2 323.397 0.711 20 5 DCBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177342529 287054175 /nfs/dbraw/zinc/05/41/75/287054175.db2.gz MZZGNDKGPULQQS-VNHYZAJKSA-N 2 2 323.397 0.711 20 5 DCBDLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130825 416197926 /nfs/dbraw/zinc/19/79/26/416197926.db2.gz UVHZTIBVLQPVOV-CYBMUJFWSA-N 2 2 308.338 0.583 20 5 DCBDLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130825 416197930 /nfs/dbraw/zinc/19/79/30/416197930.db2.gz UVHZTIBVLQPVOV-CYBMUJFWSA-N 2 2 308.338 0.583 20 5 DCBDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791090 416877060 /nfs/dbraw/zinc/87/70/60/416877060.db2.gz WGRASXZBRPCLSK-ZDUSSCGKSA-N 2 2 311.386 0.741 20 5 DCBDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791090 416877070 /nfs/dbraw/zinc/87/70/70/416877070.db2.gz WGRASXZBRPCLSK-ZDUSSCGKSA-N 2 2 311.386 0.741 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675620 261175847 /nfs/dbraw/zinc/17/58/47/261175847.db2.gz HHICIRQNKNRILC-FWWRYZNZSA-N 2 2 304.350 0.709 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675620 261175849 /nfs/dbraw/zinc/17/58/49/261175849.db2.gz HHICIRQNKNRILC-FWWRYZNZSA-N 2 2 304.350 0.709 20 5 DCBDLP CC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870914003 667772219 /nfs/dbraw/zinc/77/22/19/667772219.db2.gz HUAXOAGMPNLEBP-OAHLLOKOSA-N 2 2 306.366 0.933 20 5 DCBDLP C[N@@H+]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805854 668514602 /nfs/dbraw/zinc/51/46/02/668514602.db2.gz GLWIDVBQYMEBFF-OAHLLOKOSA-N 2 2 306.366 0.933 20 5 DCBDLP C[N@H+]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805854 668514605 /nfs/dbraw/zinc/51/46/05/668514605.db2.gz GLWIDVBQYMEBFF-OAHLLOKOSA-N 2 2 306.366 0.933 20 5 DCBDLP O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602521 1171041150 /nfs/dbraw/zinc/04/11/50/1171041150.db2.gz RQNVUHQTYDFIDF-NXEZZACHSA-N 2 2 315.337 0.426 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001168736875 753990585 /nfs/dbraw/zinc/99/05/85/753990585.db2.gz LTORNWIOVKWTRQ-UHFFFAOYSA-N 3 2 304.354 0.792 20 5 DCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3c2CNC3=O)CC1 ZINC001168746395 754082548 /nfs/dbraw/zinc/08/25/48/754082548.db2.gz NOZAICINNAJKET-UHFFFAOYSA-N 2 2 318.337 0.432 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158203948 771740213 /nfs/dbraw/zinc/74/02/13/771740213.db2.gz JXCLMLWKIDUXOL-SECBINFHSA-N 2 2 314.305 0.586 20 5 DCBDLP Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101741 396702630 /nfs/dbraw/zinc/70/26/30/396702630.db2.gz LMZQTAZQFOQQJN-ZDUSSCGKSA-N 2 2 306.366 0.547 20 5 DCBDLP Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101741 396702633 /nfs/dbraw/zinc/70/26/33/396702633.db2.gz LMZQTAZQFOQQJN-ZDUSSCGKSA-N 2 2 306.366 0.547 20 5 DCBDLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000321413745 396815663 /nfs/dbraw/zinc/81/56/63/396815663.db2.gz RPMCBVNHBROUII-UHFFFAOYSA-N 2 2 321.381 0.370 20 5 DCBDLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000321413745 396815668 /nfs/dbraw/zinc/81/56/68/396815668.db2.gz RPMCBVNHBROUII-UHFFFAOYSA-N 2 2 321.381 0.370 20 5 DCBDLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001719 397124452 /nfs/dbraw/zinc/12/44/52/397124452.db2.gz WFGCJYMDLVAOIJ-LBPRGKRZSA-N 2 2 321.381 0.132 20 5 DCBDLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001719 397124457 /nfs/dbraw/zinc/12/44/57/397124457.db2.gz WFGCJYMDLVAOIJ-LBPRGKRZSA-N 2 2 321.381 0.132 20 5 DCBDLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475092 397185805 /nfs/dbraw/zinc/18/58/05/397185805.db2.gz NFUGBWMWWWPIPF-SMDDNHRTSA-N 2 2 322.365 0.971 20 5 DCBDLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475092 397185810 /nfs/dbraw/zinc/18/58/10/397185810.db2.gz NFUGBWMWWWPIPF-SMDDNHRTSA-N 2 2 322.365 0.971 20 5 DCBDLP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000593901679 397471526 /nfs/dbraw/zinc/47/15/26/397471526.db2.gz GHJLYWBNSXGRIK-GFCCVEGCSA-N 2 2 324.337 0.599 20 5 DCBDLP C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000579354829 397557364 /nfs/dbraw/zinc/55/73/64/397557364.db2.gz DTWAMEWAGHLKSY-NSHDSACASA-N 2 2 307.354 0.108 20 5 DCBDLP C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000579354829 397557365 /nfs/dbraw/zinc/55/73/65/397557365.db2.gz DTWAMEWAGHLKSY-NSHDSACASA-N 2 2 307.354 0.108 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610336521 397814529 /nfs/dbraw/zinc/81/45/29/397814529.db2.gz VCSOJKQIBAZLQL-OCCSQVGLSA-N 2 2 320.353 0.686 20 5 DCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610336521 397814535 /nfs/dbraw/zinc/81/45/35/397814535.db2.gz VCSOJKQIBAZLQL-OCCSQVGLSA-N 2 2 320.353 0.686 20 5 DCBDLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390993 397816922 /nfs/dbraw/zinc/81/69/22/397816922.db2.gz GRVHIBHOIPURID-GXTWGEPZSA-N 2 2 311.386 0.615 20 5 DCBDLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390993 397816925 /nfs/dbraw/zinc/81/69/25/397816925.db2.gz GRVHIBHOIPURID-GXTWGEPZSA-N 2 2 311.386 0.615 20 5 DCBDLP Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129291 416198441 /nfs/dbraw/zinc/19/84/41/416198441.db2.gz RWAUOWJPJWFWQB-GFCCVEGCSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129291 416198444 /nfs/dbraw/zinc/19/84/44/416198444.db2.gz RWAUOWJPJWFWQB-GFCCVEGCSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000358139921 416201126 /nfs/dbraw/zinc/20/11/26/416201126.db2.gz SBYOLMIUFOVCSU-CYBMUJFWSA-N 2 2 322.365 0.891 20 5 DCBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000358139921 416201127 /nfs/dbraw/zinc/20/11/27/416201127.db2.gz SBYOLMIUFOVCSU-CYBMUJFWSA-N 2 2 322.365 0.891 20 5 DCBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596152383 416578468 /nfs/dbraw/zinc/57/84/68/416578468.db2.gz WGDSYZFQXYLERO-UHFFFAOYSA-N 2 2 308.386 1.010 20 5 DCBDLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937539 416683846 /nfs/dbraw/zinc/68/38/46/416683846.db2.gz QAHGYKAWDPZFAD-LBPRGKRZSA-N 2 2 322.365 0.247 20 5 DCBDLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937539 416683848 /nfs/dbraw/zinc/68/38/48/416683848.db2.gz QAHGYKAWDPZFAD-LBPRGKRZSA-N 2 2 322.365 0.247 20 5 DCBDLP C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354742286 261266084 /nfs/dbraw/zinc/26/60/84/261266084.db2.gz ZJQPNGHQWBOMIC-LBPRGKRZSA-N 2 2 322.413 0.933 20 5 DCBDLP C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354742286 261266085 /nfs/dbraw/zinc/26/60/85/261266085.db2.gz ZJQPNGHQWBOMIC-LBPRGKRZSA-N 2 2 322.413 0.933 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895769207 662214003 /nfs/dbraw/zinc/21/40/03/662214003.db2.gz OENFVCUWEYKGPE-WDEREUQCSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895769207 662214006 /nfs/dbraw/zinc/21/40/06/662214006.db2.gz OENFVCUWEYKGPE-WDEREUQCSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895769207 662214008 /nfs/dbraw/zinc/21/40/08/662214008.db2.gz OENFVCUWEYKGPE-WDEREUQCSA-N 2 2 321.385 0.617 20 5 DCBDLP C[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895769207 662214010 /nfs/dbraw/zinc/21/40/10/662214010.db2.gz OENFVCUWEYKGPE-WDEREUQCSA-N 2 2 321.385 0.617 20 5 DCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001169071401 760570823 /nfs/dbraw/zinc/57/08/23/760570823.db2.gz BZYPHLMWZXJDJU-SNVBAGLBSA-N 2 2 314.305 0.586 20 5 DCBDLP COc1ncnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c1[N+](=O)[O-] ZINC001155377931 770483444 /nfs/dbraw/zinc/48/34/44/770483444.db2.gz WTZPWKYVMFGGJI-NSHDSACASA-N 2 2 322.369 0.253 20 5 DCBDLP COc1ncnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262911 771750100 /nfs/dbraw/zinc/75/01/00/771750100.db2.gz XEKBQKNZWTZIHO-JTQLQIEISA-N 2 2 322.369 0.395 20 5 DCBDLP COc1ncnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262911 771750104 /nfs/dbraw/zinc/75/01/04/771750104.db2.gz XEKBQKNZWTZIHO-JTQLQIEISA-N 2 2 322.369 0.395 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496171 291308692 /nfs/dbraw/zinc/30/86/92/291308692.db2.gz PFBAHRYNBOLLFD-VXGBXAGGSA-N 2 2 320.349 0.217 20 5 DCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496171 291308694 /nfs/dbraw/zinc/30/86/94/291308694.db2.gz PFBAHRYNBOLLFD-VXGBXAGGSA-N 2 2 320.349 0.217 20 5 DCBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414989683 417321554 /nfs/dbraw/zinc/32/15/54/417321554.db2.gz NVIHBPJKGSYSPM-LLVKDONJSA-N 2 2 311.338 0.974 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576053078 417576889 /nfs/dbraw/zinc/57/68/89/417576889.db2.gz AZGLCZZRCKRQFG-SWHYSGLUSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576053078 417576895 /nfs/dbraw/zinc/57/68/95/417576895.db2.gz AZGLCZZRCKRQFG-SWHYSGLUSA-N 2 2 304.350 0.900 20 5 DCBDLP C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354742285 261265676 /nfs/dbraw/zinc/26/56/76/261265676.db2.gz ZJQPNGHQWBOMIC-GFCCVEGCSA-N 2 2 322.413 0.933 20 5 DCBDLP C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354742285 261265678 /nfs/dbraw/zinc/26/56/78/261265678.db2.gz ZJQPNGHQWBOMIC-GFCCVEGCSA-N 2 2 322.413 0.933 20 5 DCBDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689102 272204602 /nfs/dbraw/zinc/20/46/02/272204602.db2.gz QQEZWARWMQNXRG-LQPUYASZSA-N 2 2 322.340 0.848 20 5 DCBDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689102 272204604 /nfs/dbraw/zinc/20/46/04/272204604.db2.gz QQEZWARWMQNXRG-LQPUYASZSA-N 2 2 322.340 0.848 20 5 DCBDLP