smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)C1CC1 ZINC000131166828 1119912632 /nfs/dbraw/zinc/91/26/32/1119912632.db2.gz WOYZCAJPZALDIQ-AWEZNQCLSA-N 2 2 332.448 2.636 20 5 EFBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+](C)C1CC1 ZINC000131166828 1119912634 /nfs/dbraw/zinc/91/26/34/1119912634.db2.gz WOYZCAJPZALDIQ-AWEZNQCLSA-N 2 2 332.448 2.636 20 5 EFBDLP COCC[NH2+]CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414881858 244387402 /nfs/dbraw/zinc/38/74/02/244387402.db2.gz KTWROWBAVGWLSJ-UHFFFAOYSA-N 2 2 335.429 2.649 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375142 248232686 /nfs/dbraw/zinc/23/26/86/248232686.db2.gz ZWGBTBCTXKCEPR-IAQYHMDHSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375142 248232690 /nfs/dbraw/zinc/23/26/90/248232690.db2.gz ZWGBTBCTXKCEPR-IAQYHMDHSA-N 2 2 332.429 2.887 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000267157953 250782912 /nfs/dbraw/zinc/78/29/12/250782912.db2.gz DWTMQKQZUIGEJS-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450368209 251361333 /nfs/dbraw/zinc/36/13/33/251361333.db2.gz FPKPMDZRQSXFQB-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000272407505 266256371 /nfs/dbraw/zinc/25/63/71/266256371.db2.gz ZYQDHJLFFWFHIN-OAHLLOKOSA-N 2 2 335.448 2.743 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000272407505 266256374 /nfs/dbraw/zinc/25/63/74/266256374.db2.gz ZYQDHJLFFWFHIN-OAHLLOKOSA-N 2 2 335.448 2.743 20 5 EFBDLP CC[NH+](CC)CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517659 266291135 /nfs/dbraw/zinc/29/11/35/266291135.db2.gz KPLIOGYYECYGNM-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853524 311338701 /nfs/dbraw/zinc/33/87/01/311338701.db2.gz GQEHMIPBDBKLFA-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853524 311338703 /nfs/dbraw/zinc/33/87/03/311338703.db2.gz GQEHMIPBDBKLFA-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853524 311338704 /nfs/dbraw/zinc/33/87/04/311338704.db2.gz GQEHMIPBDBKLFA-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853524 311338706 /nfs/dbraw/zinc/33/87/06/311338706.db2.gz GQEHMIPBDBKLFA-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309578 311366877 /nfs/dbraw/zinc/36/68/77/311366877.db2.gz YITIGGPNXMHCKM-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309578 311366878 /nfs/dbraw/zinc/36/68/78/311366878.db2.gz YITIGGPNXMHCKM-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309578 311366880 /nfs/dbraw/zinc/36/68/80/311366880.db2.gz YITIGGPNXMHCKM-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309578 311366881 /nfs/dbraw/zinc/36/68/81/311366881.db2.gz YITIGGPNXMHCKM-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623095 311398451 /nfs/dbraw/zinc/39/84/51/311398451.db2.gz RGNITBLBIKYKJQ-HKUYNNGSSA-N 2 2 347.459 2.655 20 5 EFBDLP CCc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566738500 319106412 /nfs/dbraw/zinc/10/64/12/319106412.db2.gz WXOPUVWFFWAEHM-RYUDHWBXSA-N 2 2 329.404 2.574 20 5 EFBDLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000568662581 319307184 /nfs/dbraw/zinc/30/71/84/319307184.db2.gz DGHFCSLJURFVMT-CPUCHLNUSA-N 2 2 333.432 2.671 20 5 EFBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047007 472585935 /nfs/dbraw/zinc/58/59/35/472585935.db2.gz SWFJXDLTEBNPIO-CRAIPNDOSA-N 2 2 347.459 2.616 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157626454 472841214 /nfs/dbraw/zinc/84/12/14/472841214.db2.gz GSAMGQGXRXDYNU-MSOLQXFVSA-N 2 2 329.444 2.990 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157626454 472841222 /nfs/dbraw/zinc/84/12/22/472841222.db2.gz GSAMGQGXRXDYNU-MSOLQXFVSA-N 2 2 329.444 2.990 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043329 472847003 /nfs/dbraw/zinc/84/70/03/472847003.db2.gz AZKLAYRJMSGDKB-ZFWWWQNUSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043329 472847011 /nfs/dbraw/zinc/84/70/11/472847011.db2.gz AZKLAYRJMSGDKB-ZFWWWQNUSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043329 472847016 /nfs/dbraw/zinc/84/70/16/472847016.db2.gz AZKLAYRJMSGDKB-ZFWWWQNUSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043329 472847021 /nfs/dbraw/zinc/84/70/21/472847021.db2.gz AZKLAYRJMSGDKB-ZFWWWQNUSA-N 2 2 349.431 2.528 20 5 EFBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933622 473106164 /nfs/dbraw/zinc/10/61/64/473106164.db2.gz UGQMEWIKEQEYRX-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933622 473106167 /nfs/dbraw/zinc/10/61/67/473106167.db2.gz UGQMEWIKEQEYRX-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245517212 473714757 /nfs/dbraw/zinc/71/47/57/473714757.db2.gz GWEQRNSGQZEIMN-CVEARBPZSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269299369 473766658 /nfs/dbraw/zinc/76/66/58/473766658.db2.gz BLEJIWDIHQAUGJ-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308208 473823777 /nfs/dbraw/zinc/82/37/77/473823777.db2.gz DOKXDFLCLHNTBS-DOTOQJQBSA-N 2 2 335.448 2.821 20 5 EFBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308208 473823784 /nfs/dbraw/zinc/82/37/84/473823784.db2.gz DOKXDFLCLHNTBS-DOTOQJQBSA-N 2 2 335.448 2.821 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000173619508 473893382 /nfs/dbraw/zinc/89/33/82/473893382.db2.gz KWIOXJDVYVFYHJ-AWEZNQCLSA-N 2 2 348.447 2.693 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000246619683 473917657 /nfs/dbraw/zinc/91/76/57/473917657.db2.gz QLBWLWZICNVXRE-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000246619683 473917669 /nfs/dbraw/zinc/91/76/69/473917669.db2.gz QLBWLWZICNVXRE-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180338 474279395 /nfs/dbraw/zinc/27/93/95/474279395.db2.gz WITPPCQKBLWZOF-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180338 474279400 /nfs/dbraw/zinc/27/94/00/474279400.db2.gz WITPPCQKBLWZOF-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180338 474279407 /nfs/dbraw/zinc/27/94/07/474279407.db2.gz WITPPCQKBLWZOF-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180338 474279416 /nfs/dbraw/zinc/27/94/16/474279416.db2.gz WITPPCQKBLWZOF-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884120 474515890 /nfs/dbraw/zinc/51/58/90/474515890.db2.gz AYTVBXJXYHAUNJ-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884120 474515896 /nfs/dbraw/zinc/51/58/96/474515896.db2.gz AYTVBXJXYHAUNJ-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000267217745 474620530 /nfs/dbraw/zinc/62/05/30/474620530.db2.gz SAWFECPZNUQKJR-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114245 474694318 /nfs/dbraw/zinc/69/43/18/474694318.db2.gz HFZVWLOFUNWKGF-HZPDHXFCSA-N 2 2 335.448 2.647 20 5 EFBDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155138 474706116 /nfs/dbraw/zinc/70/61/16/474706116.db2.gz VMCQBDZVIROHCR-ZWKOTPCHSA-N 2 2 335.448 2.728 20 5 EFBDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155136 474706900 /nfs/dbraw/zinc/70/69/00/474706900.db2.gz VMCQBDZVIROHCR-QZTJIDSGSA-N 2 2 335.448 2.728 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306598 475595283 /nfs/dbraw/zinc/59/52/83/475595283.db2.gz GWJPHCDGNOYKKM-XJKSGUPXSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306598 475595293 /nfs/dbraw/zinc/59/52/93/475595293.db2.gz GWJPHCDGNOYKKM-XJKSGUPXSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306598 475595305 /nfs/dbraw/zinc/59/53/05/475595305.db2.gz GWJPHCDGNOYKKM-XJKSGUPXSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306598 475595312 /nfs/dbraw/zinc/59/53/12/475595312.db2.gz GWJPHCDGNOYKKM-XJKSGUPXSA-N 2 2 349.431 2.766 20 5 EFBDLP CCCC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353519005 476040750 /nfs/dbraw/zinc/04/07/50/476040750.db2.gz LTRHOJUPUUUGNC-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CCCC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353519005 476040758 /nfs/dbraw/zinc/04/07/58/476040758.db2.gz LTRHOJUPUUUGNC-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP Cc1ccc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH+]1 ZINC000353646090 476153262 /nfs/dbraw/zinc/15/32/62/476153262.db2.gz BSAFVMARJYASPQ-MRXNPFEDSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1ccc(CCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH+]1 ZINC000353646090 476153269 /nfs/dbraw/zinc/15/32/69/476153269.db2.gz BSAFVMARJYASPQ-MRXNPFEDSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066824 476579967 /nfs/dbraw/zinc/57/99/67/476579967.db2.gz PVAHRXKBRAIUJV-ZFWWWQNUSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066824 476579975 /nfs/dbraw/zinc/57/99/75/476579975.db2.gz PVAHRXKBRAIUJV-ZFWWWQNUSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374916798 476592562 /nfs/dbraw/zinc/59/25/62/476592562.db2.gz PSVYAQXTUKIVEP-AEFFLSMTSA-N 2 2 346.475 2.676 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000374916798 476592571 /nfs/dbraw/zinc/59/25/71/476592571.db2.gz PSVYAQXTUKIVEP-AEFFLSMTSA-N 2 2 346.475 2.676 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063047 476653150 /nfs/dbraw/zinc/65/31/50/476653150.db2.gz OEOINPQUVZCSMT-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632630 476655745 /nfs/dbraw/zinc/65/57/45/476655745.db2.gz SWKYKGKIFCYFGM-GFCCVEGCSA-N 2 2 341.371 2.849 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632630 476655748 /nfs/dbraw/zinc/65/57/48/476655748.db2.gz SWKYKGKIFCYFGM-GFCCVEGCSA-N 2 2 341.371 2.849 20 5 EFBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628620 476885251 /nfs/dbraw/zinc/88/52/51/476885251.db2.gz OUILUFBGPIPSAB-HNNXBMFYSA-N 2 2 330.388 2.606 20 5 EFBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628620 476885257 /nfs/dbraw/zinc/88/52/57/476885257.db2.gz OUILUFBGPIPSAB-HNNXBMFYSA-N 2 2 330.388 2.606 20 5 EFBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628622 476885484 /nfs/dbraw/zinc/88/54/84/476885484.db2.gz OUILUFBGPIPSAB-OAHLLOKOSA-N 2 2 330.388 2.606 20 5 EFBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628622 476885488 /nfs/dbraw/zinc/88/54/88/476885488.db2.gz OUILUFBGPIPSAB-OAHLLOKOSA-N 2 2 330.388 2.606 20 5 EFBDLP CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH2+]CC1 ZINC000431100822 476978133 /nfs/dbraw/zinc/97/81/33/476978133.db2.gz NUWHUXWSHTZJAN-UHFFFAOYSA-N 2 2 345.403 2.609 20 5 EFBDLP CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH2+]CC1 ZINC000431100822 476978138 /nfs/dbraw/zinc/97/81/38/476978138.db2.gz NUWHUXWSHTZJAN-UHFFFAOYSA-N 2 2 345.403 2.609 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000447537913 477007755 /nfs/dbraw/zinc/00/77/55/477007755.db2.gz ZJUHQFWEIROTJK-WCXIOVBPSA-N 2 2 349.479 2.985 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000447537913 477007756 /nfs/dbraw/zinc/00/77/56/477007756.db2.gz ZJUHQFWEIROTJK-WCXIOVBPSA-N 2 2 349.479 2.985 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534146 477066662 /nfs/dbraw/zinc/06/66/62/477066662.db2.gz VIVHPKFGUNNAIX-FHLIZLRMSA-N 2 2 325.412 2.871 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000366758747 477172989 /nfs/dbraw/zinc/17/29/89/477172989.db2.gz OMAPOKWDCJFFLH-CQSZACIVSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000366758747 477172994 /nfs/dbraw/zinc/17/29/94/477172994.db2.gz OMAPOKWDCJFFLH-CQSZACIVSA-N 2 2 330.388 2.717 20 5 EFBDLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266280 477205172 /nfs/dbraw/zinc/20/51/72/477205172.db2.gz OGDBEPMJYIWNLF-CRAIPNDOSA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266280 477205176 /nfs/dbraw/zinc/20/51/76/477205176.db2.gz OGDBEPMJYIWNLF-CRAIPNDOSA-N 2 2 347.459 2.754 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376717059 477471197 /nfs/dbraw/zinc/47/11/97/477471197.db2.gz PKPAJIAACNZBCN-UHFFFAOYSA-N 2 2 330.388 2.816 20 5 EFBDLP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489235030 478226569 /nfs/dbraw/zinc/22/65/69/478226569.db2.gz SWRQVTPBBKVZJX-CQSZACIVSA-N 2 2 343.431 2.924 20 5 EFBDLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496605 478412634 /nfs/dbraw/zinc/41/26/34/478412634.db2.gz PNHGJTWDJWGQSA-ROUUACIJSA-N 2 2 333.432 2.889 20 5 EFBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056413 478643529 /nfs/dbraw/zinc/64/35/29/478643529.db2.gz HBUUZVQFCHOYAI-ZNMIVQPWSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056413 478643536 /nfs/dbraw/zinc/64/35/36/478643536.db2.gz HBUUZVQFCHOYAI-ZNMIVQPWSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056411 478644229 /nfs/dbraw/zinc/64/42/29/478644229.db2.gz HBUUZVQFCHOYAI-RRFJBIMHSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056411 478644236 /nfs/dbraw/zinc/64/42/36/478644236.db2.gz HBUUZVQFCHOYAI-RRFJBIMHSA-N 2 2 335.452 2.737 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000601100944 478655334 /nfs/dbraw/zinc/65/53/34/478655334.db2.gz QKNZETQUEAAUDX-UHFFFAOYSA-N 2 2 349.394 2.860 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000601101183 478656923 /nfs/dbraw/zinc/65/69/23/478656923.db2.gz OQVVPVSISRHZLB-UHFFFAOYSA-N 2 2 349.394 2.860 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000595098568 478659540 /nfs/dbraw/zinc/65/95/40/478659540.db2.gz BQTXXXNSECLVNC-HKUYNNGSSA-N 2 2 345.443 2.815 20 5 EFBDLP O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491885692 478723009 /nfs/dbraw/zinc/72/30/09/478723009.db2.gz OZGFBKBUXGKFFX-UTCJRWHESA-N 2 2 335.323 2.827 20 5 EFBDLP Cc1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000595470020 478802924 /nfs/dbraw/zinc/80/29/24/478802924.db2.gz ZFGXHGDVWXAVMK-UHFFFAOYSA-N 2 2 345.403 2.804 20 5 EFBDLP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505210 478825985 /nfs/dbraw/zinc/82/59/85/478825985.db2.gz QRUIUYZDLLWADI-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505210 478825991 /nfs/dbraw/zinc/82/59/91/478825991.db2.gz QRUIUYZDLLWADI-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505210 478825995 /nfs/dbraw/zinc/82/59/95/478825995.db2.gz QRUIUYZDLLWADI-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505210 478825998 /nfs/dbraw/zinc/82/59/98/478825998.db2.gz QRUIUYZDLLWADI-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428809 478892128 /nfs/dbraw/zinc/89/21/28/478892128.db2.gz VOUZLIILTHAXHK-LRDDRELGSA-N 2 2 347.440 2.871 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428809 478892134 /nfs/dbraw/zinc/89/21/34/478892134.db2.gz VOUZLIILTHAXHK-LRDDRELGSA-N 2 2 347.440 2.871 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565373402 478992076 /nfs/dbraw/zinc/99/20/76/478992076.db2.gz VBCZCESZNTWYMC-CJISVDGZSA-N 2 2 345.443 2.795 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565373402 478992083 /nfs/dbraw/zinc/99/20/83/478992083.db2.gz VBCZCESZNTWYMC-CJISVDGZSA-N 2 2 345.443 2.795 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000565755279 479075843 /nfs/dbraw/zinc/07/58/43/479075843.db2.gz ISSXOKHJOJEKHR-GJZGRUSLSA-N 2 2 332.408 2.542 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686036 479155997 /nfs/dbraw/zinc/15/59/97/479155997.db2.gz FUKRQBWTTSCMJF-CQSZACIVSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686036 479156001 /nfs/dbraw/zinc/15/60/01/479156001.db2.gz FUKRQBWTTSCMJF-CQSZACIVSA-N 2 2 346.431 2.530 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273780 479333725 /nfs/dbraw/zinc/33/37/25/479333725.db2.gz QYYWFGILDZKSHQ-HIFRSBDPSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273780 479333730 /nfs/dbraw/zinc/33/37/30/479333730.db2.gz QYYWFGILDZKSHQ-HIFRSBDPSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273780 479333733 /nfs/dbraw/zinc/33/37/33/479333733.db2.gz QYYWFGILDZKSHQ-HIFRSBDPSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273780 479333738 /nfs/dbraw/zinc/33/37/38/479333738.db2.gz QYYWFGILDZKSHQ-HIFRSBDPSA-N 2 2 349.431 2.671 20 5 EFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274529 479333896 /nfs/dbraw/zinc/33/38/96/479333896.db2.gz KPUWTZIQIBGCEZ-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274529 479333898 /nfs/dbraw/zinc/33/38/98/479333898.db2.gz KPUWTZIQIBGCEZ-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274529 479333904 /nfs/dbraw/zinc/33/39/04/479333904.db2.gz KPUWTZIQIBGCEZ-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274529 479333906 /nfs/dbraw/zinc/33/39/06/479333906.db2.gz KPUWTZIQIBGCEZ-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273779 479334714 /nfs/dbraw/zinc/33/47/14/479334714.db2.gz QYYWFGILDZKSHQ-DZGCQCFKSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273779 479334718 /nfs/dbraw/zinc/33/47/18/479334718.db2.gz QYYWFGILDZKSHQ-DZGCQCFKSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273779 479334724 /nfs/dbraw/zinc/33/47/24/479334724.db2.gz QYYWFGILDZKSHQ-DZGCQCFKSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273779 479334731 /nfs/dbraw/zinc/33/47/31/479334731.db2.gz QYYWFGILDZKSHQ-DZGCQCFKSA-N 2 2 349.431 2.671 20 5 EFBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472800 479352398 /nfs/dbraw/zinc/35/23/98/479352398.db2.gz LKIMXBGKZSQGFV-LLVKDONJSA-N 2 2 331.338 2.997 20 5 EFBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472800 479352401 /nfs/dbraw/zinc/35/24/01/479352401.db2.gz LKIMXBGKZSQGFV-LLVKDONJSA-N 2 2 331.338 2.997 20 5 EFBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472812 479352660 /nfs/dbraw/zinc/35/26/60/479352660.db2.gz LKIMXBGKZSQGFV-NSHDSACASA-N 2 2 331.338 2.997 20 5 EFBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472812 479352665 /nfs/dbraw/zinc/35/26/65/479352665.db2.gz LKIMXBGKZSQGFV-NSHDSACASA-N 2 2 331.338 2.997 20 5 EFBDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196469 479496886 /nfs/dbraw/zinc/49/68/86/479496886.db2.gz DWHAFPMEGXSUMI-UHFFFAOYSA-N 2 2 349.431 2.674 20 5 EFBDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196469 479496890 /nfs/dbraw/zinc/49/68/90/479496890.db2.gz DWHAFPMEGXSUMI-UHFFFAOYSA-N 2 2 349.431 2.674 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967959 479524773 /nfs/dbraw/zinc/52/47/73/479524773.db2.gz CCVNQTVQQLHVFA-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967959 479524777 /nfs/dbraw/zinc/52/47/77/479524777.db2.gz CCVNQTVQQLHVFA-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1c[nH+]cc1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000614284896 480255908 /nfs/dbraw/zinc/25/59/08/480255908.db2.gz CXKBMFSKSDXRMQ-UHFFFAOYSA-N 2 2 343.412 2.784 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245608562 524506516 /nfs/dbraw/zinc/50/65/16/524506516.db2.gz NPUJQBVMCJZASI-RHSMWYFYSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245608562 524506523 /nfs/dbraw/zinc/50/65/23/524506523.db2.gz NPUJQBVMCJZASI-RHSMWYFYSA-N 2 2 330.388 2.753 20 5 EFBDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000120896713 525671309 /nfs/dbraw/zinc/67/13/09/525671309.db2.gz OHOLFEKSNYBJQE-UHFFFAOYSA-N 2 2 326.400 2.929 20 5 EFBDLP COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414943048 536895772 /nfs/dbraw/zinc/89/57/72/536895772.db2.gz LBVMEYJXIXCTJW-ZDUSSCGKSA-N 2 2 345.399 2.619 20 5 EFBDLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874504 536944703 /nfs/dbraw/zinc/94/47/03/536944703.db2.gz BAZGGTBCCMXBKI-RTBURBONSA-N 2 2 341.411 2.839 20 5 EFBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712883 575779867 /nfs/dbraw/zinc/77/98/67/575779867.db2.gz DENGSZSOGQPOFV-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712883 575779869 /nfs/dbraw/zinc/77/98/69/575779869.db2.gz DENGSZSOGQPOFV-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583944 577168921 /nfs/dbraw/zinc/16/89/21/577168921.db2.gz LQTFDWBEKUQLHU-AUUYWEPGSA-N 2 2 344.459 2.636 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583944 577168923 /nfs/dbraw/zinc/16/89/23/577168923.db2.gz LQTFDWBEKUQLHU-AUUYWEPGSA-N 2 2 344.459 2.636 20 5 EFBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583946 577168948 /nfs/dbraw/zinc/16/89/48/577168948.db2.gz LQTFDWBEKUQLHU-IFXJQAMLSA-N 2 2 344.459 2.636 20 5 EFBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583946 577168949 /nfs/dbraw/zinc/16/89/49/577168949.db2.gz LQTFDWBEKUQLHU-IFXJQAMLSA-N 2 2 344.459 2.636 20 5 EFBDLP CC[N@H+](CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000770688425 581126100 /nfs/dbraw/zinc/12/61/00/581126100.db2.gz ZFNQEELHXLPESH-UHFFFAOYSA-N 2 2 335.452 2.583 20 5 EFBDLP CC[N@@H+](CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000770688425 581126102 /nfs/dbraw/zinc/12/61/02/581126102.db2.gz ZFNQEELHXLPESH-UHFFFAOYSA-N 2 2 335.452 2.583 20 5 EFBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000923421361 1261645025 /nfs/dbraw/zinc/64/50/25/1261645025.db2.gz NDRGTNBXERDYJI-RYUDHWBXSA-N 2 2 328.210 2.573 20 5 EFBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025754 1272622639 /nfs/dbraw/zinc/62/26/39/1272622639.db2.gz UTFUHWNZPNVFMJ-BZUAXINKSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025754 1272622645 /nfs/dbraw/zinc/62/26/45/1272622645.db2.gz UTFUHWNZPNVFMJ-BZUAXINKSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025754 1272622660 /nfs/dbraw/zinc/62/26/60/1272622660.db2.gz UTFUHWNZPNVFMJ-BZUAXINKSA-N 2 2 349.479 2.545 20 5 EFBDLP COc1ccc(C[C@@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170334536 1279026864 /nfs/dbraw/zinc/02/68/64/1279026864.db2.gz GLHAZLDXJBBPDT-GFCCVEGCSA-N 2 2 344.415 2.600 20 5 EFBDLP C[NH2+]CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192161 1286458924 /nfs/dbraw/zinc/45/89/24/1286458924.db2.gz JDRHSWOICSMTJU-LBPRGKRZSA-N 2 2 341.427 2.993 20 5 EFBDLP C[NH2+]CC[N@@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192161 1286458928 /nfs/dbraw/zinc/45/89/28/1286458928.db2.gz JDRHSWOICSMTJU-LBPRGKRZSA-N 2 2 341.427 2.993 20 5 EFBDLP C[NH2+]CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192160 1286459019 /nfs/dbraw/zinc/45/90/19/1286459019.db2.gz JDRHSWOICSMTJU-GFCCVEGCSA-N 2 2 341.427 2.993 20 5 EFBDLP C[NH2+]CC[N@@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192160 1286459024 /nfs/dbraw/zinc/45/90/24/1286459024.db2.gz JDRHSWOICSMTJU-GFCCVEGCSA-N 2 2 341.427 2.993 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331321 1314611669 /nfs/dbraw/zinc/61/16/69/1314611669.db2.gz OJOZYAJJCWULPL-IAQYHMDHSA-N 2 2 339.411 2.651 20 5 EFBDLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584678 1314652129 /nfs/dbraw/zinc/65/21/29/1314652129.db2.gz YIEBAFKDIUDIES-WMZOPIPTSA-N 2 2 335.423 2.995 20 5 EFBDLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584678 1314652132 /nfs/dbraw/zinc/65/21/32/1314652132.db2.gz YIEBAFKDIUDIES-WMZOPIPTSA-N 2 2 335.423 2.995 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918817 1314707533 /nfs/dbraw/zinc/70/75/33/1314707533.db2.gz MEAAEHGVBNQTPL-CORIIIEPSA-N 2 2 339.411 2.875 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918817 1314707537 /nfs/dbraw/zinc/70/75/37/1314707537.db2.gz MEAAEHGVBNQTPL-CORIIIEPSA-N 2 2 339.411 2.875 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918821 1314707730 /nfs/dbraw/zinc/70/77/30/1314707730.db2.gz MEAAEHGVBNQTPL-LNSITVRQSA-N 2 2 339.411 2.875 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918821 1314707734 /nfs/dbraw/zinc/70/77/34/1314707734.db2.gz MEAAEHGVBNQTPL-LNSITVRQSA-N 2 2 339.411 2.875 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001254583785 1315727330 /nfs/dbraw/zinc/72/73/30/1315727330.db2.gz ODEHJVLBSJGTCV-LJQANCHMSA-N 2 2 337.423 2.784 20 5 EFBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606320 1315730706 /nfs/dbraw/zinc/73/07/06/1315730706.db2.gz GJHMHVARPKWLHX-ZWKOTPCHSA-N 2 2 339.395 2.919 20 5 EFBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606320 1315730708 /nfs/dbraw/zinc/73/07/08/1315730708.db2.gz GJHMHVARPKWLHX-ZWKOTPCHSA-N 2 2 339.395 2.919 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671109 1331191437 /nfs/dbraw/zinc/19/14/37/1331191437.db2.gz OLLIKWJHZYCIKF-ZDUSSCGKSA-N 2 2 337.420 2.519 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671109 1331191440 /nfs/dbraw/zinc/19/14/40/1331191440.db2.gz OLLIKWJHZYCIKF-ZDUSSCGKSA-N 2 2 337.420 2.519 20 5 EFBDLP O=C(CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397535 1331342717 /nfs/dbraw/zinc/34/27/17/1331342717.db2.gz OXZNFZABXFARJS-GOEBONIOSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397535 1331342723 /nfs/dbraw/zinc/34/27/23/1331342723.db2.gz OXZNFZABXFARJS-GOEBONIOSA-N 2 2 346.431 2.530 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264054 715210339 /nfs/dbraw/zinc/21/03/39/715210339.db2.gz ROENDKRKBRNJLM-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264054 715210340 /nfs/dbraw/zinc/21/03/40/715210340.db2.gz ROENDKRKBRNJLM-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264054 715210341 /nfs/dbraw/zinc/21/03/41/715210341.db2.gz ROENDKRKBRNJLM-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264054 715210342 /nfs/dbraw/zinc/21/03/42/715210342.db2.gz ROENDKRKBRNJLM-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000892532093 718221078 /nfs/dbraw/zinc/22/10/78/718221078.db2.gz ICXNMPQPBVUMOY-UHFFFAOYSA-N 2 2 337.420 2.519 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000892630862 718356826 /nfs/dbraw/zinc/35/68/26/718356826.db2.gz DJLNMGAMXFZYET-UHFFFAOYSA-N 2 2 337.420 2.662 20 5 EFBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001580371991 1090881863 /nfs/dbraw/zinc/88/18/63/1090881863.db2.gz JWNDKOQZNPFEJY-VXGBXAGGSA-N 2 2 328.210 2.717 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)c1 ZINC000904420340 1107933698 /nfs/dbraw/zinc/93/36/98/1107933698.db2.gz KYOPIISJDUQKQW-UONOGXRCSA-N 2 2 344.440 2.760 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)c1 ZINC000904420340 1107933707 /nfs/dbraw/zinc/93/37/07/1107933707.db2.gz KYOPIISJDUQKQW-UONOGXRCSA-N 2 2 344.440 2.760 20 5 EFBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435377999 248231925 /nfs/dbraw/zinc/23/19/25/248231925.db2.gz BXLNENCICXTYJT-UHFFFAOYSA-N 2 2 332.429 2.902 20 5 EFBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435377999 248231929 /nfs/dbraw/zinc/23/19/29/248231929.db2.gz BXLNENCICXTYJT-UHFFFAOYSA-N 2 2 332.429 2.902 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377692 248232903 /nfs/dbraw/zinc/23/29/03/248232903.db2.gz FJFMWAVWRKWUBR-AAEUAGOBSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377692 248232904 /nfs/dbraw/zinc/23/29/04/248232904.db2.gz FJFMWAVWRKWUBR-AAEUAGOBSA-N 2 2 332.429 2.887 20 5 EFBDLP Cc1ncsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000435429806 248239992 /nfs/dbraw/zinc/23/99/92/248239992.db2.gz ZRDJEFPYWQKFRF-HNNXBMFYSA-N 2 2 346.456 2.971 20 5 EFBDLP Cc1ncsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000435429806 248239996 /nfs/dbraw/zinc/23/99/96/248239996.db2.gz ZRDJEFPYWQKFRF-HNNXBMFYSA-N 2 2 346.456 2.971 20 5 EFBDLP CC[NH+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520270 284678135 /nfs/dbraw/zinc/67/81/35/284678135.db2.gz NQZIGQPAGQDKPU-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2c(c1)COCO2 ZINC000267443715 251062230 /nfs/dbraw/zinc/06/22/30/251062230.db2.gz PSBXIEYXNPXRLE-LBPRGKRZSA-N 2 2 344.371 2.564 20 5 EFBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2c(c1)COCO2 ZINC000267443715 251062235 /nfs/dbraw/zinc/06/22/35/251062235.db2.gz PSBXIEYXNPXRLE-LBPRGKRZSA-N 2 2 344.371 2.564 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000468650445 256017836 /nfs/dbraw/zinc/01/78/36/256017836.db2.gz HFHHBGKEWBBMSE-VPEZWSJASA-N 2 2 347.459 2.945 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000468650445 256017839 /nfs/dbraw/zinc/01/78/39/256017839.db2.gz HFHHBGKEWBBMSE-VPEZWSJASA-N 2 2 347.459 2.945 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368828880 150215657 /nfs/dbraw/zinc/21/56/57/150215657.db2.gz GXHHXOMNFUHGRG-OLZOCXBDSA-N 2 2 341.358 2.913 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368828880 150215659 /nfs/dbraw/zinc/21/56/59/150215659.db2.gz GXHHXOMNFUHGRG-OLZOCXBDSA-N 2 2 341.358 2.913 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265125 150315021 /nfs/dbraw/zinc/31/50/21/150315021.db2.gz DUXHCTXCOPXZBH-GFCCVEGCSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265125 150315023 /nfs/dbraw/zinc/31/50/23/150315023.db2.gz DUXHCTXCOPXZBH-GFCCVEGCSA-N 2 2 338.839 2.829 20 5 EFBDLP CC(C)[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532017 266296219 /nfs/dbraw/zinc/29/62/19/266296219.db2.gz NHXWPSYROMHDFF-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CC(C)[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532017 266296221 /nfs/dbraw/zinc/29/62/21/266296221.db2.gz NHXWPSYROMHDFF-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547086 266303101 /nfs/dbraw/zinc/30/31/01/266303101.db2.gz QLMOLQYCJLDMTB-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547086 266303104 /nfs/dbraw/zinc/30/31/04/266303104.db2.gz QLMOLQYCJLDMTB-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826523 267056429 /nfs/dbraw/zinc/05/64/29/267056429.db2.gz ALHIECDZXKPITE-HZPDHXFCSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826523 267056431 /nfs/dbraw/zinc/05/64/31/267056431.db2.gz ALHIECDZXKPITE-HZPDHXFCSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826523 267056434 /nfs/dbraw/zinc/05/64/34/267056434.db2.gz ALHIECDZXKPITE-HZPDHXFCSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826523 267056435 /nfs/dbraw/zinc/05/64/35/267056435.db2.gz ALHIECDZXKPITE-HZPDHXFCSA-N 2 2 333.432 2.910 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746954 273107989 /nfs/dbraw/zinc/10/79/89/273107989.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746954 273107990 /nfs/dbraw/zinc/10/79/90/273107990.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000271746954 273107991 /nfs/dbraw/zinc/10/79/91/273107991.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000271746954 273107992 /nfs/dbraw/zinc/10/79/92/273107992.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 2 2 334.464 2.614 20 5 EFBDLP Cc1cc(NCC2([NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445596046 280299318 /nfs/dbraw/zinc/29/93/18/280299318.db2.gz JDPJHIATEZQISF-UHFFFAOYSA-N 2 2 341.415 2.678 20 5 EFBDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290546905 294116919 /nfs/dbraw/zinc/11/69/19/294116919.db2.gz ROAMIBCMDIBYPZ-UHFFFAOYSA-N 2 2 339.436 2.776 20 5 EFBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290546905 294116921 /nfs/dbraw/zinc/11/69/21/294116921.db2.gz ROAMIBCMDIBYPZ-UHFFFAOYSA-N 2 2 339.436 2.776 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309593 311366781 /nfs/dbraw/zinc/36/67/81/311366781.db2.gz YITIGGPNXMHCKM-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309593 311366783 /nfs/dbraw/zinc/36/67/83/311366783.db2.gz YITIGGPNXMHCKM-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309593 311366785 /nfs/dbraw/zinc/36/67/85/311366785.db2.gz YITIGGPNXMHCKM-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309593 311366787 /nfs/dbraw/zinc/36/67/87/311366787.db2.gz YITIGGPNXMHCKM-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000470169857 313129123 /nfs/dbraw/zinc/12/91/23/313129123.db2.gz LAMXVWRFJAZKDO-QIPHDZALSA-N 2 2 345.443 2.652 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000470169857 313129125 /nfs/dbraw/zinc/12/91/25/313129125.db2.gz LAMXVWRFJAZKDO-QIPHDZALSA-N 2 2 345.443 2.652 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662582 319306906 /nfs/dbraw/zinc/30/69/06/319306906.db2.gz DGHFCSLJURFVMT-JKIFEVAISA-N 2 2 333.432 2.671 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662582 319306908 /nfs/dbraw/zinc/30/69/08/319306908.db2.gz DGHFCSLJURFVMT-JKIFEVAISA-N 2 2 333.432 2.671 20 5 EFBDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000602637992 479441776 /nfs/dbraw/zinc/44/17/76/479441776.db2.gz ASNZUZCOLVJYOU-TXEJJXNPSA-N 2 2 329.322 2.607 20 5 EFBDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000602637992 479441780 /nfs/dbraw/zinc/44/17/80/479441780.db2.gz ASNZUZCOLVJYOU-TXEJJXNPSA-N 2 2 329.322 2.607 20 5 EFBDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000602637992 479441782 /nfs/dbraw/zinc/44/17/82/479441782.db2.gz ASNZUZCOLVJYOU-TXEJJXNPSA-N 2 2 329.322 2.607 20 5 EFBDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000602637992 479441787 /nfs/dbraw/zinc/44/17/87/479441787.db2.gz ASNZUZCOLVJYOU-TXEJJXNPSA-N 2 2 329.322 2.607 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836287 472204393 /nfs/dbraw/zinc/20/43/93/472204393.db2.gz QZRJNLFKPSJFDX-MRXNPFEDSA-N 2 2 333.432 2.781 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836287 472204399 /nfs/dbraw/zinc/20/43/99/472204399.db2.gz QZRJNLFKPSJFDX-MRXNPFEDSA-N 2 2 333.432 2.781 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725243 472708406 /nfs/dbraw/zinc/70/84/06/472708406.db2.gz FQFOLTSYNILHOE-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725243 472708411 /nfs/dbraw/zinc/70/84/11/472708411.db2.gz FQFOLTSYNILHOE-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725243 472708415 /nfs/dbraw/zinc/70/84/15/472708415.db2.gz FQFOLTSYNILHOE-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725243 472708417 /nfs/dbraw/zinc/70/84/17/472708417.db2.gz FQFOLTSYNILHOE-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000120930546 472769338 /nfs/dbraw/zinc/76/93/38/472769338.db2.gz YMQKKFWGOIIYIO-UHFFFAOYSA-N 2 2 337.420 2.708 20 5 EFBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000050954561 473015183 /nfs/dbraw/zinc/01/51/83/473015183.db2.gz ZTUYRAHRGFXBBK-UHFFFAOYSA-N 2 2 336.411 2.704 20 5 EFBDLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961630 473114226 /nfs/dbraw/zinc/11/42/26/473114226.db2.gz YZKRVBPTMXEGNJ-ZDUSSCGKSA-N 2 2 343.387 2.526 20 5 EFBDLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961630 473114233 /nfs/dbraw/zinc/11/42/33/473114233.db2.gz YZKRVBPTMXEGNJ-ZDUSSCGKSA-N 2 2 343.387 2.526 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329826 473492669 /nfs/dbraw/zinc/49/26/69/473492669.db2.gz LRDXTICJSQMVLE-RDJZCZTQSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329826 473492673 /nfs/dbraw/zinc/49/26/73/473492673.db2.gz LRDXTICJSQMVLE-RDJZCZTQSA-N 2 2 335.448 2.911 20 5 EFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000178733704 473549991 /nfs/dbraw/zinc/54/99/91/473549991.db2.gz BBJIHAUHDCGMKN-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000152439478 473562273 /nfs/dbraw/zinc/56/22/73/473562273.db2.gz LJUMBNFPAVPCQL-HUUCEWRRSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000152439478 473562276 /nfs/dbraw/zinc/56/22/76/473562276.db2.gz LJUMBNFPAVPCQL-HUUCEWRRSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439478 473562279 /nfs/dbraw/zinc/56/22/79/473562279.db2.gz LJUMBNFPAVPCQL-HUUCEWRRSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439478 473562282 /nfs/dbraw/zinc/56/22/82/473562282.db2.gz LJUMBNFPAVPCQL-HUUCEWRRSA-N 2 2 348.447 2.504 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000274299730 473777126 /nfs/dbraw/zinc/77/71/26/473777126.db2.gz JGPYNNCYWJXVPL-LLVKDONJSA-N 2 2 334.351 2.845 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000274299730 473777138 /nfs/dbraw/zinc/77/71/38/473777138.db2.gz JGPYNNCYWJXVPL-LLVKDONJSA-N 2 2 334.351 2.845 20 5 EFBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000194066391 473837252 /nfs/dbraw/zinc/83/72/52/473837252.db2.gz YLBYNYSZTYMVPE-LRDDRELGSA-N 2 2 345.359 2.783 20 5 EFBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000194066391 473837259 /nfs/dbraw/zinc/83/72/59/473837259.db2.gz YLBYNYSZTYMVPE-LRDDRELGSA-N 2 2 345.359 2.783 20 5 EFBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413790 473873103 /nfs/dbraw/zinc/87/31/03/473873103.db2.gz DOKXDFLCLHNTBS-NVXWUHKLSA-N 2 2 335.448 2.821 20 5 EFBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413790 473873111 /nfs/dbraw/zinc/87/31/11/473873111.db2.gz DOKXDFLCLHNTBS-NVXWUHKLSA-N 2 2 335.448 2.821 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247731640 474204765 /nfs/dbraw/zinc/20/47/65/474204765.db2.gz VFXVHHKCGPYSEX-GDBMZVCRSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247731640 474204768 /nfs/dbraw/zinc/20/47/68/474204768.db2.gz VFXVHHKCGPYSEX-GDBMZVCRSA-N 2 2 330.388 2.753 20 5 EFBDLP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c([N+](=O)[O-])cc1OC ZINC000289734947 474401904 /nfs/dbraw/zinc/40/19/04/474401904.db2.gz PXPFTKMMPKTJPB-YIONKMFJSA-N 2 2 349.431 2.669 20 5 EFBDLP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c([N+](=O)[O-])cc1OC ZINC000289734947 474401909 /nfs/dbraw/zinc/40/19/09/474401909.db2.gz PXPFTKMMPKTJPB-YIONKMFJSA-N 2 2 349.431 2.669 20 5 EFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000289734947 474401913 /nfs/dbraw/zinc/40/19/13/474401913.db2.gz PXPFTKMMPKTJPB-YIONKMFJSA-N 2 2 349.431 2.669 20 5 EFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000289734947 474401916 /nfs/dbraw/zinc/40/19/16/474401916.db2.gz PXPFTKMMPKTJPB-YIONKMFJSA-N 2 2 349.431 2.669 20 5 EFBDLP Cc1ccc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000266979674 474555291 /nfs/dbraw/zinc/55/52/91/474555291.db2.gz PLPYEMWONNKYJN-UHFFFAOYSA-N 2 2 332.448 2.874 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293029568 474774415 /nfs/dbraw/zinc/77/44/15/474774415.db2.gz RLVVSGJGXIUHGL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293029568 474774423 /nfs/dbraw/zinc/77/44/23/474774423.db2.gz RLVVSGJGXIUHGL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293029568 474774430 /nfs/dbraw/zinc/77/44/30/474774430.db2.gz RLVVSGJGXIUHGL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293029568 474774447 /nfs/dbraw/zinc/77/44/47/474774447.db2.gz RLVVSGJGXIUHGL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000617210296 480128857 /nfs/dbraw/zinc/12/88/57/480128857.db2.gz ULSRZOICNRLEMM-UHFFFAOYSA-N 2 2 342.399 2.711 20 5 EFBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528822 475034412 /nfs/dbraw/zinc/03/44/12/475034412.db2.gz HYKWJYRHMIOPAY-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528822 475034413 /nfs/dbraw/zinc/03/44/13/475034413.db2.gz HYKWJYRHMIOPAY-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997010 475119447 /nfs/dbraw/zinc/11/94/47/475119447.db2.gz IECIESUDJFTJQL-BVGQSLNGSA-N 2 2 329.444 2.988 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997010 475119451 /nfs/dbraw/zinc/11/94/51/475119451.db2.gz IECIESUDJFTJQL-BVGQSLNGSA-N 2 2 329.444 2.988 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013508 475144872 /nfs/dbraw/zinc/14/48/72/475144872.db2.gz MMBAYLMIXNPGBR-KRWDZBQOSA-N 2 2 344.440 2.904 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013508 475144879 /nfs/dbraw/zinc/14/48/79/475144879.db2.gz MMBAYLMIXNPGBR-KRWDZBQOSA-N 2 2 344.440 2.904 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000347373176 475274834 /nfs/dbraw/zinc/27/48/34/475274834.db2.gz WRUYAQFWAQFPDK-DTQAZKPQSA-N 2 2 347.459 2.777 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000347373176 475274840 /nfs/dbraw/zinc/27/48/40/475274840.db2.gz WRUYAQFWAQFPDK-DTQAZKPQSA-N 2 2 347.459 2.777 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]Cc3c[nH+]cn3C)o2)c([N+](=O)[O-])c1 ZINC000352465161 475320881 /nfs/dbraw/zinc/32/08/81/475320881.db2.gz FARCUFPNCBZYCV-UHFFFAOYSA-N 2 2 342.355 2.887 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306596 475595918 /nfs/dbraw/zinc/59/59/18/475595918.db2.gz GWJPHCDGNOYKKM-CJNGLKHVSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306596 475595927 /nfs/dbraw/zinc/59/59/27/475595927.db2.gz GWJPHCDGNOYKKM-CJNGLKHVSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306596 475595939 /nfs/dbraw/zinc/59/59/39/475595939.db2.gz GWJPHCDGNOYKKM-CJNGLKHVSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306596 475595943 /nfs/dbraw/zinc/59/59/43/475595943.db2.gz GWJPHCDGNOYKKM-CJNGLKHVSA-N 2 2 349.431 2.766 20 5 EFBDLP O=[N+]([O-])c1ccccc1C=CCNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353124368 475698546 /nfs/dbraw/zinc/69/85/46/475698546.db2.gz JSVWPPZVAWSRKX-HWKANZROSA-N 2 2 335.367 2.782 20 5 EFBDLP [NH3+]CCN(Cc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000348921834 475883419 /nfs/dbraw/zinc/88/34/19/475883419.db2.gz OWVBKEGDRDTACE-UHFFFAOYSA-N 2 2 345.790 2.861 20 5 EFBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855778 475915517 /nfs/dbraw/zinc/91/55/17/475915517.db2.gz VRTDCCONMPVWDE-CVEARBPZSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855778 475915522 /nfs/dbraw/zinc/91/55/22/475915522.db2.gz VRTDCCONMPVWDE-CVEARBPZSA-N 2 2 345.399 2.793 20 5 EFBDLP CC(C)[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443944 475972875 /nfs/dbraw/zinc/97/28/75/475972875.db2.gz FBOMHTNKTOLNNL-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CC(C)[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443944 475972881 /nfs/dbraw/zinc/97/28/81/475972881.db2.gz FBOMHTNKTOLNNL-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CCCC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518599 476041198 /nfs/dbraw/zinc/04/11/98/476041198.db2.gz LTRHOJUPUUUGNC-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CCCC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518599 476041205 /nfs/dbraw/zinc/04/12/05/476041205.db2.gz LTRHOJUPUUUGNC-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000362324333 476170029 /nfs/dbraw/zinc/17/00/29/476170029.db2.gz QDFYLMXANGYNIZ-CQSZACIVSA-N 2 2 347.346 2.791 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000362324333 476170041 /nfs/dbraw/zinc/17/00/41/476170041.db2.gz QDFYLMXANGYNIZ-CQSZACIVSA-N 2 2 347.346 2.791 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051321 476189102 /nfs/dbraw/zinc/18/91/02/476189102.db2.gz MZLUGOBTLIHPSF-KBPBESRZSA-N 2 2 344.440 2.760 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051321 476189107 /nfs/dbraw/zinc/18/91/07/476189107.db2.gz MZLUGOBTLIHPSF-KBPBESRZSA-N 2 2 344.440 2.760 20 5 EFBDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976484 476344078 /nfs/dbraw/zinc/34/40/78/476344078.db2.gz XSVTXKYUSRHKFV-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976484 476344082 /nfs/dbraw/zinc/34/40/82/476344082.db2.gz XSVTXKYUSRHKFV-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178301 476482983 /nfs/dbraw/zinc/48/29/83/476482983.db2.gz VMZRMJBKCIAGQE-SFHVURJKSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178301 476482986 /nfs/dbraw/zinc/48/29/86/476482986.db2.gz VMZRMJBKCIAGQE-SFHVURJKSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178301 476482991 /nfs/dbraw/zinc/48/29/91/476482991.db2.gz VMZRMJBKCIAGQE-SFHVURJKSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178301 476482997 /nfs/dbraw/zinc/48/29/97/476482997.db2.gz VMZRMJBKCIAGQE-SFHVURJKSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365618274 476648905 /nfs/dbraw/zinc/64/89/05/476648905.db2.gz ABKGLHXELMOCQP-CYBMUJFWSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365618274 476648909 /nfs/dbraw/zinc/64/89/09/476648909.db2.gz ABKGLHXELMOCQP-CYBMUJFWSA-N 2 2 330.388 2.717 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622366 476651697 /nfs/dbraw/zinc/65/16/97/476651697.db2.gz FKGKTHVSOJBASP-OAHLLOKOSA-N 2 2 344.415 2.977 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622366 476651703 /nfs/dbraw/zinc/65/17/03/476651703.db2.gz FKGKTHVSOJBASP-OAHLLOKOSA-N 2 2 344.415 2.977 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370201892 476695163 /nfs/dbraw/zinc/69/51/63/476695163.db2.gz PWDDCKDKSRWLEZ-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370201892 476695172 /nfs/dbraw/zinc/69/51/72/476695172.db2.gz PWDDCKDKSRWLEZ-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541202 476849955 /nfs/dbraw/zinc/84/99/55/476849955.db2.gz AYFJMAARHZBFSH-CZUORRHYSA-N 2 2 344.415 2.852 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541202 476849962 /nfs/dbraw/zinc/84/99/62/476849962.db2.gz AYFJMAARHZBFSH-CZUORRHYSA-N 2 2 344.415 2.852 20 5 EFBDLP C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541196 476851056 /nfs/dbraw/zinc/85/10/56/476851056.db2.gz AYFJMAARHZBFSH-BBRMVZONSA-N 2 2 344.415 2.852 20 5 EFBDLP C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541196 476851062 /nfs/dbraw/zinc/85/10/62/476851062.db2.gz AYFJMAARHZBFSH-BBRMVZONSA-N 2 2 344.415 2.852 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)nc2c1 ZINC000446850224 476927329 /nfs/dbraw/zinc/92/73/29/476927329.db2.gz WZTXUJHKRQCGGL-UHFFFAOYSA-N 2 2 348.366 2.947 20 5 EFBDLP CCC([NH3+])(CC)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423293991 476984961 /nfs/dbraw/zinc/98/49/61/476984961.db2.gz SULLRNMGAQYZNO-HNNXBMFYSA-N 2 2 331.420 2.525 20 5 EFBDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583791 477017778 /nfs/dbraw/zinc/01/77/78/477017778.db2.gz CILHLBNYWJKZGX-JKSUJKDBSA-N 2 2 329.404 2.811 20 5 EFBDLP COC[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411868 477024411 /nfs/dbraw/zinc/02/44/11/477024411.db2.gz GMMLXVPEJDFSMF-SJLPKXTDSA-N 2 2 333.432 2.675 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000366612334 477097025 /nfs/dbraw/zinc/09/70/25/477097025.db2.gz YTTAPDACHSYYFP-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000366612334 477097029 /nfs/dbraw/zinc/09/70/29/477097029.db2.gz YTTAPDACHSYYFP-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266283 477204122 /nfs/dbraw/zinc/20/41/22/477204122.db2.gz OGDBEPMJYIWNLF-YJBOKZPZSA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266283 477204129 /nfs/dbraw/zinc/20/41/29/477204129.db2.gz OGDBEPMJYIWNLF-YJBOKZPZSA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266281 477204668 /nfs/dbraw/zinc/20/46/68/477204668.db2.gz OGDBEPMJYIWNLF-MAUKXSAKSA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266281 477204674 /nfs/dbraw/zinc/20/46/74/477204674.db2.gz OGDBEPMJYIWNLF-MAUKXSAKSA-N 2 2 347.459 2.754 20 5 EFBDLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420366471 477724076 /nfs/dbraw/zinc/72/40/76/477724076.db2.gz RDMZJRTVZWTCML-ZDUSSCGKSA-N 2 2 347.362 2.668 20 5 EFBDLP CC[NH+](CC)CCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489325413 478234540 /nfs/dbraw/zinc/23/45/40/478234540.db2.gz CBIZRAHTWBHZIG-UHFFFAOYSA-N 2 2 343.431 2.926 20 5 EFBDLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496604 478412134 /nfs/dbraw/zinc/41/21/34/478412134.db2.gz PNHGJTWDJWGQSA-QZTJIDSGSA-N 2 2 333.432 2.889 20 5 EFBDLP Cc1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000594501330 478414464 /nfs/dbraw/zinc/41/44/64/478414464.db2.gz UGVJHTZQSFCEGI-KRWDZBQOSA-N 2 2 333.432 2.636 20 5 EFBDLP Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723825 478486951 /nfs/dbraw/zinc/48/69/51/478486951.db2.gz FMCKKTMGOMIXNN-OLZOCXBDSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723825 478486959 /nfs/dbraw/zinc/48/69/59/478486959.db2.gz FMCKKTMGOMIXNN-OLZOCXBDSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776242 478514682 /nfs/dbraw/zinc/51/46/82/478514682.db2.gz QGYHRHMHZKDBMP-CHWSQXEVSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776242 478514687 /nfs/dbraw/zinc/51/46/87/478514687.db2.gz QGYHRHMHZKDBMP-CHWSQXEVSA-N 2 2 331.338 2.862 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446988 478555976 /nfs/dbraw/zinc/55/59/76/478555976.db2.gz HOCJXJNWBPQWHU-SJORKVTESA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446988 478555980 /nfs/dbraw/zinc/55/59/80/478555980.db2.gz HOCJXJNWBPQWHU-SJORKVTESA-N 2 2 346.431 2.530 20 5 EFBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056859 478643719 /nfs/dbraw/zinc/64/37/19/478643719.db2.gz RTOFWJFIYGILJJ-ZFWWWQNUSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056859 478643724 /nfs/dbraw/zinc/64/37/24/478643724.db2.gz RTOFWJFIYGILJJ-ZFWWWQNUSA-N 2 2 348.447 2.774 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000595098569 478659794 /nfs/dbraw/zinc/65/97/94/478659794.db2.gz BQTXXXNSECLVNC-IEBWSBKVSA-N 2 2 345.443 2.815 20 5 EFBDLP O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000571848204 478688495 /nfs/dbraw/zinc/68/84/95/478688495.db2.gz QQHAJYVPVRTWCE-UHFFFAOYSA-N 2 2 337.339 2.747 20 5 EFBDLP COc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000592380194 478876024 /nfs/dbraw/zinc/87/60/24/478876024.db2.gz UXUJKVXIPZRINR-UHFFFAOYSA-N 2 2 340.383 2.892 20 5 EFBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058080 479112610 /nfs/dbraw/zinc/11/26/10/479112610.db2.gz CDRLODVMFNUQIA-CQSZACIVSA-N 2 2 349.431 2.521 20 5 EFBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058080 479112615 /nfs/dbraw/zinc/11/26/15/479112615.db2.gz CDRLODVMFNUQIA-CQSZACIVSA-N 2 2 349.431 2.521 20 5 EFBDLP Cc1cc(NCC[C@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596427152 479291500 /nfs/dbraw/zinc/29/15/00/479291500.db2.gz AEDRMUOFIHQGAK-ZDUSSCGKSA-N 2 2 329.404 2.534 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000611268139 479330403 /nfs/dbraw/zinc/33/04/03/479330403.db2.gz SLFDJOLEYVUMQD-CQSZACIVSA-N 2 2 346.387 2.646 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000611268139 479330406 /nfs/dbraw/zinc/33/04/06/479330406.db2.gz SLFDJOLEYVUMQD-CQSZACIVSA-N 2 2 346.387 2.646 20 5 EFBDLP CC(C)C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000602511223 479374798 /nfs/dbraw/zinc/37/47/98/479374798.db2.gz NMRJDGXKFZUIJV-KRWDZBQOSA-N 2 2 349.479 2.525 20 5 EFBDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545189 479391225 /nfs/dbraw/zinc/39/12/25/479391225.db2.gz NSWQEHQGNIIDTL-ZDUSSCGKSA-N 2 2 332.404 2.946 20 5 EFBDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545189 479391231 /nfs/dbraw/zinc/39/12/31/479391231.db2.gz NSWQEHQGNIIDTL-ZDUSSCGKSA-N 2 2 332.404 2.946 20 5 EFBDLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733939 479437617 /nfs/dbraw/zinc/43/76/17/479437617.db2.gz OOXVVXVBAYXOSJ-SWLSCSKDSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733939 479437626 /nfs/dbraw/zinc/43/76/26/479437626.db2.gz OOXVVXVBAYXOSJ-SWLSCSKDSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733938 479437955 /nfs/dbraw/zinc/43/79/55/479437955.db2.gz OOXVVXVBAYXOSJ-IUODEOHRSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733938 479437963 /nfs/dbraw/zinc/43/79/63/479437963.db2.gz OOXVVXVBAYXOSJ-IUODEOHRSA-N 2 2 345.403 2.594 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCCCC2)n1 ZINC000618562107 479493266 /nfs/dbraw/zinc/49/32/66/479493266.db2.gz YXZQLYHTPWETKN-JKSUJKDBSA-N 2 2 335.452 2.741 20 5 EFBDLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571529 479497072 /nfs/dbraw/zinc/49/70/72/479497072.db2.gz BPZQGHUFAYKAIZ-SFHVURJKSA-N 2 2 333.432 2.673 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602789354 479553925 /nfs/dbraw/zinc/55/39/25/479553925.db2.gz ZMDJRUOONUCENK-DOTOQJQBSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602789354 479553934 /nfs/dbraw/zinc/55/39/34/479553934.db2.gz ZMDJRUOONUCENK-DOTOQJQBSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602789354 479553940 /nfs/dbraw/zinc/55/39/40/479553940.db2.gz ZMDJRUOONUCENK-DOTOQJQBSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602789354 479553947 /nfs/dbraw/zinc/55/39/47/479553947.db2.gz ZMDJRUOONUCENK-DOTOQJQBSA-N 2 2 349.479 2.686 20 5 EFBDLP CC(C)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000597252911 479645875 /nfs/dbraw/zinc/64/58/75/479645875.db2.gz BZXXQNWPBIYYMV-UHFFFAOYSA-N 2 2 343.431 2.774 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590601422 479666782 /nfs/dbraw/zinc/66/67/82/479666782.db2.gz WJHSMIZCXOXGLU-CVEARBPZSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590601422 479666785 /nfs/dbraw/zinc/66/67/85/479666785.db2.gz WJHSMIZCXOXGLU-CVEARBPZSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590601427 479667516 /nfs/dbraw/zinc/66/75/16/479667516.db2.gz WJHSMIZCXOXGLU-JKSUJKDBSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590601427 479667520 /nfs/dbraw/zinc/66/75/20/479667520.db2.gz WJHSMIZCXOXGLU-JKSUJKDBSA-N 2 2 333.432 2.843 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240820 521161613 /nfs/dbraw/zinc/16/16/13/521161613.db2.gz AYCSUHCETAJMIQ-YJBOKZPZSA-N 2 2 335.448 2.994 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893547 524844555 /nfs/dbraw/zinc/84/45/55/524844555.db2.gz UXTIKDYLEBQCBV-CMPLNLGQSA-N 2 2 342.237 2.917 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893547 524844563 /nfs/dbraw/zinc/84/45/63/524844563.db2.gz UXTIKDYLEBQCBV-CMPLNLGQSA-N 2 2 342.237 2.917 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004128 525457965 /nfs/dbraw/zinc/45/79/65/525457965.db2.gz PMKXEGROHPGJCC-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004128 525457975 /nfs/dbraw/zinc/45/79/75/525457975.db2.gz PMKXEGROHPGJCC-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874021 536943296 /nfs/dbraw/zinc/94/32/96/536943296.db2.gz AMFWNBHLNNSGHE-MOPGFXCFSA-N 2 2 341.411 2.839 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765016835 576536807 /nfs/dbraw/zinc/53/68/07/576536807.db2.gz ZDLXQFUKPBQWSM-OAHLLOKOSA-N 2 2 340.387 2.744 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765016835 576536810 /nfs/dbraw/zinc/53/68/10/576536810.db2.gz ZDLXQFUKPBQWSM-OAHLLOKOSA-N 2 2 340.387 2.744 20 5 EFBDLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267090 577129220 /nfs/dbraw/zinc/12/92/20/577129220.db2.gz DVKXLANKRXDFGX-HNNXBMFYSA-N 2 2 332.448 2.638 20 5 EFBDLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267090 577129221 /nfs/dbraw/zinc/12/92/21/577129221.db2.gz DVKXLANKRXDFGX-HNNXBMFYSA-N 2 2 332.448 2.638 20 5 EFBDLP Cc1nn(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)c1[N+](=O)[O-] ZINC000773342119 581421275 /nfs/dbraw/zinc/42/12/75/581421275.db2.gz VJJOLIZDVWFQNZ-UHFFFAOYSA-N 2 2 345.403 2.612 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319652 1279013384 /nfs/dbraw/zinc/01/33/84/1279013384.db2.gz XXVBOSLASOVXSB-PBHICJAKSA-N 2 2 347.459 2.998 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319652 1279013392 /nfs/dbraw/zinc/01/33/92/1279013392.db2.gz XXVBOSLASOVXSB-PBHICJAKSA-N 2 2 347.459 2.998 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+]CCOc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC001170329251 1279019656 /nfs/dbraw/zinc/01/96/56/1279019656.db2.gz YJEMIZMNQHDQQF-CYBMUJFWSA-N 2 2 331.372 2.598 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c[nH+]c(C)c2CC[NH3+])c1F ZINC001173180086 1286454905 /nfs/dbraw/zinc/45/49/05/1286454905.db2.gz TUJIVYYLMOHZMW-JTQLQIEISA-N 2 2 336.367 2.552 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1F ZINC001173179368 1286455012 /nfs/dbraw/zinc/45/50/12/1286455012.db2.gz PDBFNIUNFMXANU-CHWSQXEVSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC001173184840 1286456308 /nfs/dbraw/zinc/45/63/08/1286456308.db2.gz PADPZSFYRONYPI-LBPRGKRZSA-N 2 2 339.411 2.700 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC001173184840 1286456312 /nfs/dbraw/zinc/45/63/12/1286456312.db2.gz PADPZSFYRONYPI-LBPRGKRZSA-N 2 2 339.411 2.700 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000873138382 1289592760 /nfs/dbraw/zinc/59/27/60/1289592760.db2.gz GVKRCPLJVXYAOK-INIZCTEOSA-N 2 2 333.432 2.555 20 5 EFBDLP C[N+](C)(C)CCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224621040 1311414580 /nfs/dbraw/zinc/41/45/80/1311414580.db2.gz IYWCTGQDLZHHNS-ZDUSSCGKSA-N 2 2 332.921 2.874 20 5 EFBDLP C[N+](C)(C)CCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224621040 1311414581 /nfs/dbraw/zinc/41/45/81/1311414581.db2.gz IYWCTGQDLZHHNS-ZDUSSCGKSA-N 2 2 332.921 2.874 20 5 EFBDLP C[N+](C)(C)CCCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224623476 1311415372 /nfs/dbraw/zinc/41/53/72/1311415372.db2.gz NRHRMFJJRZIWKT-UHFFFAOYSA-N 2 2 325.498 2.508 20 5 EFBDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344197 1312584489 /nfs/dbraw/zinc/58/44/89/1312584489.db2.gz NANPLOFYXONIOW-HUUCEWRRSA-N 2 2 335.452 2.597 20 5 EFBDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344197 1312584494 /nfs/dbraw/zinc/58/44/94/1312584494.db2.gz NANPLOFYXONIOW-HUUCEWRRSA-N 2 2 335.452 2.597 20 5 EFBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584674 1314652658 /nfs/dbraw/zinc/65/26/58/1314652658.db2.gz YIEBAFKDIUDIES-FUHWJXTLSA-N 2 2 335.423 2.995 20 5 EFBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584674 1314652662 /nfs/dbraw/zinc/65/26/62/1314652662.db2.gz YIEBAFKDIUDIES-FUHWJXTLSA-N 2 2 335.423 2.995 20 5 EFBDLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465965 1315707043 /nfs/dbraw/zinc/70/70/43/1315707043.db2.gz RPPCKNIRTLUDAJ-MRXNPFEDSA-N 2 2 332.448 2.636 20 5 EFBDLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465965 1315707046 /nfs/dbraw/zinc/70/70/46/1315707046.db2.gz RPPCKNIRTLUDAJ-MRXNPFEDSA-N 2 2 332.448 2.636 20 5 EFBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606318 1315730397 /nfs/dbraw/zinc/73/03/97/1315730397.db2.gz GJHMHVARPKWLHX-QZTJIDSGSA-N 2 2 339.395 2.919 20 5 EFBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606318 1315730402 /nfs/dbraw/zinc/73/04/02/1315730402.db2.gz GJHMHVARPKWLHX-QZTJIDSGSA-N 2 2 339.395 2.919 20 5 EFBDLP COc1c(O)ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC001335468236 1331353776 /nfs/dbraw/zinc/35/37/76/1331353776.db2.gz RVPMEUGORJARMB-CQSZACIVSA-N 2 2 339.436 2.765 20 5 EFBDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000066795663 719419108 /nfs/dbraw/zinc/41/91/08/719419108.db2.gz IZNIUXVNNFFJLY-UHFFFAOYSA-N 2 2 345.447 2.949 20 5 EFBDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000066795663 719419111 /nfs/dbraw/zinc/41/91/11/719419111.db2.gz IZNIUXVNNFFJLY-UHFFFAOYSA-N 2 2 345.447 2.949 20 5 EFBDLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116329 1088251260 /nfs/dbraw/zinc/25/12/60/1088251260.db2.gz RTZWEZBMSWEBBM-INIZCTEOSA-N 2 2 336.392 2.700 20 5 EFBDLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116329 1088251274 /nfs/dbraw/zinc/25/12/74/1088251274.db2.gz RTZWEZBMSWEBBM-INIZCTEOSA-N 2 2 336.392 2.700 20 5 EFBDLP COc1ccc([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1 ZINC001579240053 1090556480 /nfs/dbraw/zinc/55/64/80/1090556480.db2.gz OBMFOEILSFLTKA-RBUKOAKNSA-N 2 2 341.411 2.573 20 5 EFBDLP COc1ccc([C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1 ZINC001579240053 1090556482 /nfs/dbraw/zinc/55/64/82/1090556482.db2.gz OBMFOEILSFLTKA-RBUKOAKNSA-N 2 2 341.411 2.573 20 5 EFBDLP CCCC[C@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297785 282954701 /nfs/dbraw/zinc/95/47/01/282954701.db2.gz LWAPLKMILIUPDP-GDBMZVCRSA-N 2 2 331.420 2.525 20 5 EFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158621936 530064713 /nfs/dbraw/zinc/06/47/13/530064713.db2.gz WITPPCQKBLWZOF-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158621936 530064714 /nfs/dbraw/zinc/06/47/14/530064714.db2.gz WITPPCQKBLWZOF-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158621936 530064715 /nfs/dbraw/zinc/06/47/15/530064715.db2.gz WITPPCQKBLWZOF-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158621936 530064716 /nfs/dbraw/zinc/06/47/16/530064716.db2.gz WITPPCQKBLWZOF-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158622078 530058936 /nfs/dbraw/zinc/05/89/36/530058936.db2.gz WITPPCQKBLWZOF-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158622078 530058937 /nfs/dbraw/zinc/05/89/37/530058937.db2.gz WITPPCQKBLWZOF-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158622078 530058938 /nfs/dbraw/zinc/05/89/38/530058938.db2.gz WITPPCQKBLWZOF-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158622078 530058939 /nfs/dbraw/zinc/05/89/39/530058939.db2.gz WITPPCQKBLWZOF-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129640821 223076370 /nfs/dbraw/zinc/07/63/70/223076370.db2.gz NPUJQBVMCJZASI-YOEHRIQHSA-N 2 2 330.388 2.753 20 5 EFBDLP COCC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414884480 244388060 /nfs/dbraw/zinc/38/80/60/244388060.db2.gz NKNRTFSCRDYMDS-UHFFFAOYSA-N 2 2 335.429 2.649 20 5 EFBDLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]1 ZINC000414948058 244399741 /nfs/dbraw/zinc/39/97/41/244399741.db2.gz WPPJPOGJXHAKTE-SFHVURJKSA-N 2 2 345.399 2.713 20 5 EFBDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419298446 245371713 /nfs/dbraw/zinc/37/17/13/245371713.db2.gz WDOAMQMKERAZDL-ZDUSSCGKSA-N 2 2 346.431 2.528 20 5 EFBDLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367107 247059632 /nfs/dbraw/zinc/05/96/32/247059632.db2.gz HCYNCSSINIZSER-OAHLLOKOSA-N 2 2 343.431 2.774 20 5 EFBDLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367107 247059637 /nfs/dbraw/zinc/05/96/37/247059637.db2.gz HCYNCSSINIZSER-OAHLLOKOSA-N 2 2 343.431 2.774 20 5 EFBDLP Cc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000434658482 248175725 /nfs/dbraw/zinc/17/57/25/248175725.db2.gz DYFIOIBGPPBTKT-UHFFFAOYSA-N 2 2 332.429 2.950 20 5 EFBDLP CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435629154 249389879 /nfs/dbraw/zinc/38/98/79/249389879.db2.gz WTPZSXCDMZTGTH-AWEZNQCLSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435629154 249389883 /nfs/dbraw/zinc/38/98/83/249389883.db2.gz WTPZSXCDMZTGTH-AWEZNQCLSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435624169 249390034 /nfs/dbraw/zinc/39/00/34/249390034.db2.gz DWBOZHCUPXEALP-AWEZNQCLSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435624169 249390036 /nfs/dbraw/zinc/39/00/36/249390036.db2.gz DWBOZHCUPXEALP-AWEZNQCLSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[NH+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520269 284678495 /nfs/dbraw/zinc/67/84/95/284678495.db2.gz NQZIGQPAGQDKPU-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000344916295 142096910 /nfs/dbraw/zinc/09/69/10/142096910.db2.gz VPNWLMNMWNRBBC-DDITZMBXSA-N 2 2 333.432 2.556 20 5 EFBDLP Cc1cccc2[nH+]cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])n21 ZINC000348920155 146024191 /nfs/dbraw/zinc/02/41/91/146024191.db2.gz IOJWDTDLUMRPRK-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826526 267056559 /nfs/dbraw/zinc/05/65/59/267056559.db2.gz ALHIECDZXKPITE-JKSUJKDBSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826526 267056560 /nfs/dbraw/zinc/05/65/60/267056560.db2.gz ALHIECDZXKPITE-JKSUJKDBSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826526 267056562 /nfs/dbraw/zinc/05/65/62/267056562.db2.gz ALHIECDZXKPITE-JKSUJKDBSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826526 267056564 /nfs/dbraw/zinc/05/65/64/267056564.db2.gz ALHIECDZXKPITE-JKSUJKDBSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870491 267065224 /nfs/dbraw/zinc/06/52/24/267065224.db2.gz HNJKDRIWFRYMDZ-MRXNPFEDSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870491 267065227 /nfs/dbraw/zinc/06/52/27/267065227.db2.gz HNJKDRIWFRYMDZ-MRXNPFEDSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746953 273108031 /nfs/dbraw/zinc/10/80/31/273108031.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746953 273108032 /nfs/dbraw/zinc/10/80/32/273108032.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000271746953 273108033 /nfs/dbraw/zinc/10/80/33/273108033.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 2 2 334.464 2.614 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000271746953 273108034 /nfs/dbraw/zinc/10/80/34/273108034.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 2 2 334.464 2.614 20 5 EFBDLP Cc1cc(NCC2([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277528409 273160201 /nfs/dbraw/zinc/16/02/01/273160201.db2.gz VUGFTTRKLIRGHM-UHFFFAOYSA-N 2 2 342.399 2.728 20 5 EFBDLP C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285551427 274023775 /nfs/dbraw/zinc/02/37/75/274023775.db2.gz QTGCOSVWYQCCTO-XYPWUTKMSA-N 2 2 347.415 2.518 20 5 EFBDLP C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285551427 274023778 /nfs/dbraw/zinc/02/37/78/274023778.db2.gz QTGCOSVWYQCCTO-XYPWUTKMSA-N 2 2 347.415 2.518 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285551427 274023780 /nfs/dbraw/zinc/02/37/80/274023780.db2.gz QTGCOSVWYQCCTO-XYPWUTKMSA-N 2 2 347.415 2.518 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285551427 274023781 /nfs/dbraw/zinc/02/37/81/274023781.db2.gz QTGCOSVWYQCCTO-XYPWUTKMSA-N 2 2 347.415 2.518 20 5 EFBDLP Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269235 274709098 /nfs/dbraw/zinc/70/90/98/274709098.db2.gz ZVSJNTAREAIBNU-MLGOLLRUSA-N 2 2 341.415 2.924 20 5 EFBDLP CC(C)c1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000076898004 278037356 /nfs/dbraw/zinc/03/73/56/278037356.db2.gz NSYQSYZEDOTYFD-HNNXBMFYSA-N 2 2 335.448 2.919 20 5 EFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290659889 294149160 /nfs/dbraw/zinc/14/91/60/294149160.db2.gz ZQBXYJIVTVUAPD-UHFFFAOYSA-N 2 2 340.330 2.915 20 5 EFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290659889 294149162 /nfs/dbraw/zinc/14/91/62/294149162.db2.gz ZQBXYJIVTVUAPD-UHFFFAOYSA-N 2 2 340.330 2.915 20 5 EFBDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291020130 294249579 /nfs/dbraw/zinc/24/95/79/294249579.db2.gz ASHDCMUUXWGHOL-CQSZACIVSA-N 2 2 349.431 2.663 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309589 311366741 /nfs/dbraw/zinc/36/67/41/311366741.db2.gz YITIGGPNXMHCKM-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309589 311366743 /nfs/dbraw/zinc/36/67/43/311366743.db2.gz YITIGGPNXMHCKM-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309589 311366745 /nfs/dbraw/zinc/36/67/45/311366745.db2.gz YITIGGPNXMHCKM-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309589 311366747 /nfs/dbraw/zinc/36/67/47/311366747.db2.gz YITIGGPNXMHCKM-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414927424 312064418 /nfs/dbraw/zinc/06/44/18/312064418.db2.gz LBVMEYJXIXCTJW-CYBMUJFWSA-N 2 2 345.399 2.619 20 5 EFBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415066230 312087078 /nfs/dbraw/zinc/08/70/78/312087078.db2.gz OFEDOLVCXRKBJB-INIZCTEOSA-N 2 2 329.400 2.955 20 5 EFBDLP C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118624 312097516 /nfs/dbraw/zinc/09/75/16/312097516.db2.gz DTLYFLQSGYOIGR-ZYHUDNBSSA-N 2 2 329.347 2.613 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118624 312097518 /nfs/dbraw/zinc/09/75/18/312097518.db2.gz DTLYFLQSGYOIGR-ZYHUDNBSSA-N 2 2 329.347 2.613 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531931487 317334378 /nfs/dbraw/zinc/33/43/78/317334378.db2.gz OMUAXRBRAYHNPC-DOTOQJQBSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531931487 317334381 /nfs/dbraw/zinc/33/43/81/317334381.db2.gz OMUAXRBRAYHNPC-DOTOQJQBSA-N 2 2 335.448 2.911 20 5 EFBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000568662580 319307211 /nfs/dbraw/zinc/30/72/11/319307211.db2.gz DGHFCSLJURFVMT-CKEIUWERSA-N 2 2 333.432 2.671 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244934 320188565 /nfs/dbraw/zinc/18/85/65/320188565.db2.gz VIBWQTCXDLIHIC-KOLCDFICSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244934 320188567 /nfs/dbraw/zinc/18/85/67/320188567.db2.gz VIBWQTCXDLIHIC-KOLCDFICSA-N 2 2 345.346 2.516 20 5 EFBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000583560192 324832651 /nfs/dbraw/zinc/83/26/51/324832651.db2.gz YYVZGOTXKOXDBP-HNNXBMFYSA-N 2 2 348.447 2.633 20 5 EFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000177315037 473354056 /nfs/dbraw/zinc/35/40/56/473354056.db2.gz YGZAEMNWYGRPGJ-CABCVRRESA-N 2 2 349.431 2.541 20 5 EFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000177315037 473354064 /nfs/dbraw/zinc/35/40/64/473354064.db2.gz YGZAEMNWYGRPGJ-CABCVRRESA-N 2 2 349.431 2.541 20 5 EFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000177315037 473354071 /nfs/dbraw/zinc/35/40/71/473354071.db2.gz YGZAEMNWYGRPGJ-CABCVRRESA-N 2 2 349.431 2.541 20 5 EFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000177315037 473354076 /nfs/dbraw/zinc/35/40/76/473354076.db2.gz YGZAEMNWYGRPGJ-CABCVRRESA-N 2 2 349.431 2.541 20 5 EFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000177330875 473356811 /nfs/dbraw/zinc/35/68/11/473356811.db2.gz AAZRRTYDFIFOFQ-WBVHZDCISA-N 2 2 333.432 2.922 20 5 EFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000177330875 473356818 /nfs/dbraw/zinc/35/68/18/473356818.db2.gz AAZRRTYDFIFOFQ-WBVHZDCISA-N 2 2 333.432 2.922 20 5 EFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000177330875 473356822 /nfs/dbraw/zinc/35/68/22/473356822.db2.gz AAZRRTYDFIFOFQ-WBVHZDCISA-N 2 2 333.432 2.922 20 5 EFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000177330875 473356829 /nfs/dbraw/zinc/35/68/29/473356829.db2.gz AAZRRTYDFIFOFQ-WBVHZDCISA-N 2 2 333.432 2.922 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000102419809 472577782 /nfs/dbraw/zinc/57/77/82/472577782.db2.gz ZJFBZWXREGPHFZ-UHFFFAOYSA-N 2 2 342.355 2.850 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156530204 472719778 /nfs/dbraw/zinc/71/97/78/472719778.db2.gz MNUJDIUFHUCQNK-PBHICJAKSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156530204 472719784 /nfs/dbraw/zinc/71/97/84/472719784.db2.gz MNUJDIUFHUCQNK-PBHICJAKSA-N 2 2 330.388 2.753 20 5 EFBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253956 472884031 /nfs/dbraw/zinc/88/40/31/472884031.db2.gz BKNTVLLIYKTIKF-GFCCVEGCSA-N 2 2 343.374 2.970 20 5 EFBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253956 472884037 /nfs/dbraw/zinc/88/40/37/472884037.db2.gz BKNTVLLIYKTIKF-GFCCVEGCSA-N 2 2 343.374 2.970 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253956 472884040 /nfs/dbraw/zinc/88/40/40/472884040.db2.gz BKNTVLLIYKTIKF-GFCCVEGCSA-N 2 2 343.374 2.970 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253956 472884046 /nfs/dbraw/zinc/88/40/46/472884046.db2.gz BKNTVLLIYKTIKF-GFCCVEGCSA-N 2 2 343.374 2.970 20 5 EFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000123160444 473103983 /nfs/dbraw/zinc/10/39/83/473103983.db2.gz YPTVPDHREXYZGN-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959059 473112592 /nfs/dbraw/zinc/11/25/92/473112592.db2.gz UABKFQRPKJLOCX-ZDUSSCGKSA-N 2 2 343.387 2.526 20 5 EFBDLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959059 473112599 /nfs/dbraw/zinc/11/25/99/473112599.db2.gz UABKFQRPKJLOCX-ZDUSSCGKSA-N 2 2 343.387 2.526 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838021 473192029 /nfs/dbraw/zinc/19/20/29/473192029.db2.gz XQAMOWRTLQBLJS-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838021 473192035 /nfs/dbraw/zinc/19/20/35/473192035.db2.gz XQAMOWRTLQBLJS-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP C[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891696 473470357 /nfs/dbraw/zinc/47/03/57/473470357.db2.gz PRKXVKUWPBCPAI-JQWIXIFHSA-N 2 2 342.237 2.774 20 5 EFBDLP C[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891696 473470362 /nfs/dbraw/zinc/47/03/62/473470362.db2.gz PRKXVKUWPBCPAI-JQWIXIFHSA-N 2 2 342.237 2.774 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329814 473492482 /nfs/dbraw/zinc/49/24/82/473492482.db2.gz LRDXTICJSQMVLE-WBVHZDCISA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329814 473492489 /nfs/dbraw/zinc/49/24/89/473492489.db2.gz LRDXTICJSQMVLE-WBVHZDCISA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000166084514 473519719 /nfs/dbraw/zinc/51/97/19/473519719.db2.gz GHORFTQJCYFFRH-UHFFFAOYSA-N 2 2 326.400 2.929 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245448989 473703255 /nfs/dbraw/zinc/70/32/55/473703255.db2.gz NIRSKPDRYHAAPC-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245448989 473703261 /nfs/dbraw/zinc/70/32/61/473703261.db2.gz NIRSKPDRYHAAPC-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245448989 473703266 /nfs/dbraw/zinc/70/32/66/473703266.db2.gz NIRSKPDRYHAAPC-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245448989 473703271 /nfs/dbraw/zinc/70/32/71/473703271.db2.gz NIRSKPDRYHAAPC-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509775 473746310 /nfs/dbraw/zinc/74/63/10/473746310.db2.gz YQMCKDSNIYQXJG-OAHLLOKOSA-N 2 2 348.447 2.648 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509775 473746317 /nfs/dbraw/zinc/74/63/17/473746317.db2.gz YQMCKDSNIYQXJG-OAHLLOKOSA-N 2 2 348.447 2.648 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247980194 474236501 /nfs/dbraw/zinc/23/65/01/474236501.db2.gz IFPXBWPUJONTSD-WMLDXEAASA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247980194 474236508 /nfs/dbraw/zinc/23/65/08/474236508.db2.gz IFPXBWPUJONTSD-WMLDXEAASA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247980194 474236514 /nfs/dbraw/zinc/23/65/14/474236514.db2.gz IFPXBWPUJONTSD-WMLDXEAASA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247980194 474236520 /nfs/dbraw/zinc/23/65/20/474236520.db2.gz IFPXBWPUJONTSD-WMLDXEAASA-N 2 2 333.432 2.910 20 5 EFBDLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270936311 474329080 /nfs/dbraw/zinc/32/90/80/474329080.db2.gz XSXZCYKVTFRPPV-UHFFFAOYSA-N 2 2 330.388 2.643 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997798 474502911 /nfs/dbraw/zinc/50/29/11/474502911.db2.gz PKWKVCIVIAJYOG-HKUYNNGSSA-N 2 2 347.459 2.919 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997798 474502915 /nfs/dbraw/zinc/50/29/15/474502915.db2.gz PKWKVCIVIAJYOG-HKUYNNGSSA-N 2 2 347.459 2.919 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000267166369 474606823 /nfs/dbraw/zinc/60/68/23/474606823.db2.gz HBGIYZBPPRHXIY-UHFFFAOYSA-N 2 2 326.828 2.686 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114240 474695060 /nfs/dbraw/zinc/69/50/60/474695060.db2.gz HFZVWLOFUNWKGF-CVEARBPZSA-N 2 2 335.448 2.647 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152702 474705178 /nfs/dbraw/zinc/70/51/78/474705178.db2.gz UQKBHRYPVNTXMA-RDJZCZTQSA-N 2 2 335.448 2.647 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293033113 474774829 /nfs/dbraw/zinc/77/48/29/474774829.db2.gz RRBUQCVPZRMTNL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293033113 474774833 /nfs/dbraw/zinc/77/48/33/474774833.db2.gz RRBUQCVPZRMTNL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033113 474774841 /nfs/dbraw/zinc/77/48/41/474774841.db2.gz RRBUQCVPZRMTNL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033113 474774850 /nfs/dbraw/zinc/77/48/50/474774850.db2.gz RRBUQCVPZRMTNL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997012 475119614 /nfs/dbraw/zinc/11/96/14/475119614.db2.gz IECIESUDJFTJQL-FSPWUOQZSA-N 2 2 329.444 2.988 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997012 475119619 /nfs/dbraw/zinc/11/96/19/475119619.db2.gz IECIESUDJFTJQL-FSPWUOQZSA-N 2 2 329.444 2.988 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000347373182 475275792 /nfs/dbraw/zinc/27/57/92/475275792.db2.gz WSVOSGMEKUDPHH-PTNGSMBKSA-N 2 2 341.415 2.539 20 5 EFBDLP Cc1cc(NCCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352431784 475290220 /nfs/dbraw/zinc/29/02/20/475290220.db2.gz OKWVIHSNBLBACK-UHFFFAOYSA-N 2 2 341.415 2.680 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000361275215 475319649 /nfs/dbraw/zinc/31/96/49/475319649.db2.gz VVMNMMOVKYPFOX-UHFFFAOYSA-N 2 2 326.360 2.505 20 5 EFBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722526 475391735 /nfs/dbraw/zinc/39/17/35/475391735.db2.gz KGIACPOCAOHDII-OWCLPIDISA-N 2 2 335.452 2.597 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722526 475391743 /nfs/dbraw/zinc/39/17/43/475391743.db2.gz KGIACPOCAOHDII-OWCLPIDISA-N 2 2 335.452 2.597 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306597 475594671 /nfs/dbraw/zinc/59/46/71/475594671.db2.gz GWJPHCDGNOYKKM-CZUORRHYSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306597 475594674 /nfs/dbraw/zinc/59/46/74/475594674.db2.gz GWJPHCDGNOYKKM-CZUORRHYSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306597 475594681 /nfs/dbraw/zinc/59/46/81/475594681.db2.gz GWJPHCDGNOYKKM-CZUORRHYSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306597 475594686 /nfs/dbraw/zinc/59/46/86/475594686.db2.gz GWJPHCDGNOYKKM-CZUORRHYSA-N 2 2 349.431 2.766 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000332440386 475639635 /nfs/dbraw/zinc/63/96/35/475639635.db2.gz IQHKCWCBFONRSD-AWEZNQCLSA-N 2 2 329.404 2.520 20 5 EFBDLP CC[C@@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496549 476019942 /nfs/dbraw/zinc/01/99/42/476019942.db2.gz MLOCKONTXJJZQI-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496549 476019957 /nfs/dbraw/zinc/01/99/57/476019957.db2.gz MLOCKONTXJJZQI-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP CCCC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515294 476037399 /nfs/dbraw/zinc/03/73/99/476037399.db2.gz DNEMYIZAVJKSLA-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CCCC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515294 476037410 /nfs/dbraw/zinc/03/74/10/476037410.db2.gz DNEMYIZAVJKSLA-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617275 476476499 /nfs/dbraw/zinc/47/64/99/476476499.db2.gz AJPZHVUENIHAOD-GOSISDBHSA-N 2 2 346.475 2.504 20 5 EFBDLP Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617275 476476505 /nfs/dbraw/zinc/47/65/05/476476505.db2.gz AJPZHVUENIHAOD-GOSISDBHSA-N 2 2 346.475 2.504 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066821 476579077 /nfs/dbraw/zinc/57/90/77/476579077.db2.gz PVAHRXKBRAIUJV-DZGCQCFKSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066821 476579082 /nfs/dbraw/zinc/57/90/82/476579082.db2.gz PVAHRXKBRAIUJV-DZGCQCFKSA-N 2 2 341.415 2.677 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632631 476656397 /nfs/dbraw/zinc/65/63/97/476656397.db2.gz SWKYKGKIFCYFGM-LBPRGKRZSA-N 2 2 341.371 2.849 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632631 476656401 /nfs/dbraw/zinc/65/64/01/476656401.db2.gz SWKYKGKIFCYFGM-LBPRGKRZSA-N 2 2 341.371 2.849 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422710816 476739177 /nfs/dbraw/zinc/73/91/77/476739177.db2.gz GDJALHZTVROAEM-SUMWQHHRSA-N 2 2 329.400 2.652 20 5 EFBDLP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950158 476860314 /nfs/dbraw/zinc/86/03/14/476860314.db2.gz XFIPHKZQIBIENC-CJNGLKHVSA-N 2 2 329.400 2.652 20 5 EFBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174637 476953295 /nfs/dbraw/zinc/95/32/95/476953295.db2.gz BNNNBHQPNRBEFZ-INIZCTEOSA-N 2 2 343.431 2.669 20 5 EFBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589466 477018754 /nfs/dbraw/zinc/01/87/54/477018754.db2.gz XVFZUDDZWJYBAD-RDTXWAMCSA-N 2 2 333.432 2.673 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000447591441 477019395 /nfs/dbraw/zinc/01/93/95/477019395.db2.gz ICXRBCWQABBTNP-IXDOHACOSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000447591441 477019402 /nfs/dbraw/zinc/01/94/02/477019402.db2.gz ICXRBCWQABBTNP-IXDOHACOSA-N 2 2 347.463 2.882 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000366612336 477096600 /nfs/dbraw/zinc/09/66/00/477096600.db2.gz YTTAPDACHSYYFP-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000366612336 477096603 /nfs/dbraw/zinc/09/66/03/477096603.db2.gz YTTAPDACHSYYFP-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376551040 477395837 /nfs/dbraw/zinc/39/58/37/477395837.db2.gz ALFRUVGJDLHDMH-MRXNPFEDSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376551040 477395844 /nfs/dbraw/zinc/39/58/44/477395844.db2.gz ALFRUVGJDLHDMH-MRXNPFEDSA-N 2 2 329.356 2.652 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449073592 477421623 /nfs/dbraw/zinc/42/16/23/477421623.db2.gz SGUCXVLUDYKHCH-OAGGEKHMSA-N 2 2 335.448 2.615 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449073592 477421628 /nfs/dbraw/zinc/42/16/28/477421628.db2.gz SGUCXVLUDYKHCH-OAGGEKHMSA-N 2 2 335.448 2.615 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000449265541 477515254 /nfs/dbraw/zinc/51/52/54/477515254.db2.gz SBRUFKKRENKZSX-QIIPPGSGSA-N 2 2 344.415 2.769 20 5 EFBDLP Cc1cc(N2CCC[C@H](CC[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245637 477647545 /nfs/dbraw/zinc/64/75/45/477647545.db2.gz RDCQQXQAFZTVOX-CQSZACIVSA-N 2 2 341.415 2.925 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734352 477662617 /nfs/dbraw/zinc/66/26/17/477662617.db2.gz OFVYQOFHVWKTFK-ZDUSSCGKSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734352 477662620 /nfs/dbraw/zinc/66/26/20/477662620.db2.gz OFVYQOFHVWKTFK-ZDUSSCGKSA-N 2 2 338.839 2.829 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427858042 477782197 /nfs/dbraw/zinc/78/21/97/477782197.db2.gz RYPWPFXFUUQQIF-CVEARBPZSA-N 2 2 326.400 2.717 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427858044 477782434 /nfs/dbraw/zinc/78/24/34/477782434.db2.gz RYPWPFXFUUQQIF-HOTGVXAUSA-N 2 2 326.400 2.717 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282615 478508991 /nfs/dbraw/zinc/50/89/91/478508991.db2.gz GBBSQIOOIVCULQ-GFCCVEGCSA-N 2 2 341.358 2.961 20 5 EFBDLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776247 478514785 /nfs/dbraw/zinc/51/47/85/478514785.db2.gz QGYHRHMHZKDBMP-STQMWFEESA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776247 478514792 /nfs/dbraw/zinc/51/47/92/478514792.db2.gz QGYHRHMHZKDBMP-STQMWFEESA-N 2 2 331.338 2.862 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000594739857 478524040 /nfs/dbraw/zinc/52/40/40/478524040.db2.gz ZQVFGPWEMZZSQB-QZTJIDSGSA-N 2 2 329.375 2.969 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447014 478554866 /nfs/dbraw/zinc/55/48/66/478554866.db2.gz WPALINLMSOQWFZ-GOEBONIOSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447014 478554871 /nfs/dbraw/zinc/55/48/71/478554871.db2.gz WPALINLMSOQWFZ-GOEBONIOSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447012 478554966 /nfs/dbraw/zinc/55/49/66/478554966.db2.gz WPALINLMSOQWFZ-GDBMZVCRSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447012 478554970 /nfs/dbraw/zinc/55/49/70/478554970.db2.gz WPALINLMSOQWFZ-GDBMZVCRSA-N 2 2 346.431 2.530 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595057305 478643914 /nfs/dbraw/zinc/64/39/14/478643914.db2.gz WRDJMZKLDZLQBZ-HIFRSBDPSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595057305 478643920 /nfs/dbraw/zinc/64/39/20/478643920.db2.gz WRDJMZKLDZLQBZ-HIFRSBDPSA-N 2 2 348.447 2.774 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2c1 ZINC000601101367 478657582 /nfs/dbraw/zinc/65/75/82/478657582.db2.gz LYCZICBKWMENJY-UHFFFAOYSA-N 2 2 349.394 2.860 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000595098571 478659399 /nfs/dbraw/zinc/65/93/99/478659399.db2.gz BQTXXXNSECLVNC-PKOBYXMFSA-N 2 2 345.443 2.815 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105199 478662584 /nfs/dbraw/zinc/66/25/84/478662584.db2.gz RGZIWOOHOXSFGL-GDBMZVCRSA-N 2 2 333.432 2.807 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319669 478722454 /nfs/dbraw/zinc/72/24/54/478722454.db2.gz KNLUIBBDAUMEEQ-MRXNPFEDSA-N 2 2 348.447 2.633 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319669 478722461 /nfs/dbraw/zinc/72/24/61/478722461.db2.gz KNLUIBBDAUMEEQ-MRXNPFEDSA-N 2 2 348.447 2.633 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428811 478892451 /nfs/dbraw/zinc/89/24/51/478892451.db2.gz VOUZLIILTHAXHK-WBMJQRKESA-N 2 2 347.440 2.871 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428811 478892461 /nfs/dbraw/zinc/89/24/61/478892461.db2.gz VOUZLIILTHAXHK-WBMJQRKESA-N 2 2 347.440 2.871 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565373406 478992695 /nfs/dbraw/zinc/99/26/95/478992695.db2.gz VBCZCESZNTWYMC-PXPSOEEZSA-N 2 2 345.443 2.795 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565373406 478992700 /nfs/dbraw/zinc/99/27/00/478992700.db2.gz VBCZCESZNTWYMC-PXPSOEEZSA-N 2 2 345.443 2.795 20 5 EFBDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383428 479363234 /nfs/dbraw/zinc/36/32/34/479363234.db2.gz KHIWOZKOOAOOIQ-KXBFYZLASA-N 2 2 343.427 2.738 20 5 EFBDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383428 479363236 /nfs/dbraw/zinc/36/32/36/479363236.db2.gz KHIWOZKOOAOOIQ-KXBFYZLASA-N 2 2 343.427 2.738 20 5 EFBDLP CC[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602498917 479369770 /nfs/dbraw/zinc/36/97/70/479369770.db2.gz MKKCGIQAXNFQRX-UHFFFAOYSA-N 2 2 348.266 2.993 20 5 EFBDLP C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000602517621 479377501 /nfs/dbraw/zinc/37/75/01/479377501.db2.gz HVUHYBHXQMBHMA-CYBMUJFWSA-N 2 2 332.404 2.948 20 5 EFBDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520189 479379472 /nfs/dbraw/zinc/37/94/72/479379472.db2.gz KKOVXLRXTUKUCG-VIFPVBQESA-N 2 2 348.266 2.850 20 5 EFBDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520189 479379474 /nfs/dbraw/zinc/37/94/74/479379474.db2.gz KKOVXLRXTUKUCG-VIFPVBQESA-N 2 2 348.266 2.850 20 5 EFBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602621669 479428525 /nfs/dbraw/zinc/42/85/25/479428525.db2.gz ISNOBYVEZQMJSZ-GFCCVEGCSA-N 2 2 340.305 2.915 20 5 EFBDLP CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602629477 479435375 /nfs/dbraw/zinc/43/53/75/479435375.db2.gz HZCJJHMCUYPNHN-UHFFFAOYSA-N 2 2 332.404 2.948 20 5 EFBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602655555 479451094 /nfs/dbraw/zinc/45/10/94/479451094.db2.gz PIQLMGWRXZAPMX-ONXXMXGDSA-N 2 2 330.388 2.793 20 5 EFBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602655555 479451098 /nfs/dbraw/zinc/45/10/98/479451098.db2.gz PIQLMGWRXZAPMX-ONXXMXGDSA-N 2 2 330.388 2.793 20 5 EFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602655555 479451106 /nfs/dbraw/zinc/45/11/06/479451106.db2.gz PIQLMGWRXZAPMX-ONXXMXGDSA-N 2 2 330.388 2.793 20 5 EFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602655555 479451109 /nfs/dbraw/zinc/45/11/09/479451109.db2.gz PIQLMGWRXZAPMX-ONXXMXGDSA-N 2 2 330.388 2.793 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602789359 479554067 /nfs/dbraw/zinc/55/40/67/479554067.db2.gz ZMDJRUOONUCENK-NVXWUHKLSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602789359 479554073 /nfs/dbraw/zinc/55/40/73/479554073.db2.gz ZMDJRUOONUCENK-NVXWUHKLSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602789359 479554080 /nfs/dbraw/zinc/55/40/80/479554080.db2.gz ZMDJRUOONUCENK-NVXWUHKLSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602789359 479554087 /nfs/dbraw/zinc/55/40/87/479554087.db2.gz ZMDJRUOONUCENK-NVXWUHKLSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000602800357 479562206 /nfs/dbraw/zinc/56/22/06/479562206.db2.gz LQEBSOBOJDBVQS-UHFFFAOYSA-N 2 2 345.447 2.600 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000602800357 479562210 /nfs/dbraw/zinc/56/22/10/479562210.db2.gz LQEBSOBOJDBVQS-UHFFFAOYSA-N 2 2 345.447 2.600 20 5 EFBDLP C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245608565 524289740 /nfs/dbraw/zinc/28/97/40/524289740.db2.gz NPUJQBVMCJZASI-WMLDXEAASA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245608565 524289748 /nfs/dbraw/zinc/28/97/48/524289748.db2.gz NPUJQBVMCJZASI-WMLDXEAASA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041529 524399851 /nfs/dbraw/zinc/39/98/51/524399851.db2.gz SGVBLXWESYXOIG-IRXDYDNUSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196396 525237701 /nfs/dbraw/zinc/23/77/01/525237701.db2.gz PSXXJDSGUXAVSI-KOLCDFICSA-N 2 2 328.210 2.526 20 5 EFBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196396 525237709 /nfs/dbraw/zinc/23/77/09/525237709.db2.gz PSXXJDSGUXAVSI-KOLCDFICSA-N 2 2 328.210 2.526 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225982 528184001 /nfs/dbraw/zinc/18/40/01/528184001.db2.gz NYZARMQUQXNYTB-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225982 528184004 /nfs/dbraw/zinc/18/40/04/528184004.db2.gz NYZARMQUQXNYTB-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000093078994 537116985 /nfs/dbraw/zinc/11/69/85/537116985.db2.gz YACZCOXFBJTYCK-UHFFFAOYSA-N 2 2 342.399 2.629 20 5 EFBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583951 577168926 /nfs/dbraw/zinc/16/89/26/577168926.db2.gz LQTFDWBEKUQLHU-LIRRHRJNSA-N 2 2 344.459 2.636 20 5 EFBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583951 577168929 /nfs/dbraw/zinc/16/89/29/577168929.db2.gz LQTFDWBEKUQLHU-LIRRHRJNSA-N 2 2 344.459 2.636 20 5 EFBDLP CC[N@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000773271050 581412720 /nfs/dbraw/zinc/41/27/20/581412720.db2.gz HTVLTSFHILDCNL-UHFFFAOYSA-N 2 2 337.468 2.829 20 5 EFBDLP CC[N@@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000773271050 581412722 /nfs/dbraw/zinc/41/27/22/581412722.db2.gz HTVLTSFHILDCNL-UHFFFAOYSA-N 2 2 337.468 2.829 20 5 EFBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000742717675 1270198952 /nfs/dbraw/zinc/19/89/52/1270198952.db2.gz GSSYPLLXOYSENJ-UHFFFAOYSA-N 2 2 347.462 2.857 20 5 EFBDLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967518 1272559937 /nfs/dbraw/zinc/55/99/37/1272559937.db2.gz QIANFVRWSGOTMR-FUHWJXTLSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319620 1279013348 /nfs/dbraw/zinc/01/33/48/1279013348.db2.gz XAUHURIHRREFQX-HIFRSBDPSA-N 2 2 333.432 2.751 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319620 1279013356 /nfs/dbraw/zinc/01/33/56/1279013356.db2.gz XAUHURIHRREFQX-HIFRSBDPSA-N 2 2 333.432 2.751 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319621 1279013759 /nfs/dbraw/zinc/01/37/59/1279013759.db2.gz XAUHURIHRREFQX-ZFWWWQNUSA-N 2 2 333.432 2.751 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319621 1279013769 /nfs/dbraw/zinc/01/37/69/1279013769.db2.gz XAUHURIHRREFQX-ZFWWWQNUSA-N 2 2 333.432 2.751 20 5 EFBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000818340128 1276510057 /nfs/dbraw/zinc/51/00/57/1276510057.db2.gz IFPKQPMPVHYBEV-VXGBXAGGSA-N 2 2 328.210 2.717 20 5 EFBDLP Cc1cccn2c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)c[nH+]c12 ZINC000809734445 1282413647 /nfs/dbraw/zinc/41/36/47/1282413647.db2.gz GTMGHTLHWIFJJO-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174977 1286451499 /nfs/dbraw/zinc/45/14/99/1286451499.db2.gz HRMIIFVMWZMKMX-OLZOCXBDSA-N 2 2 339.411 2.747 20 5 EFBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174977 1286451501 /nfs/dbraw/zinc/45/15/01/1286451501.db2.gz HRMIIFVMWZMKMX-OLZOCXBDSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1F ZINC001173179370 1286455331 /nfs/dbraw/zinc/45/53/31/1286455331.db2.gz PDBFNIUNFMXANU-OLZOCXBDSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC001173184836 1286456361 /nfs/dbraw/zinc/45/63/61/1286456361.db2.gz PADPZSFYRONYPI-GFCCVEGCSA-N 2 2 339.411 2.700 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC001173184836 1286456365 /nfs/dbraw/zinc/45/63/65/1286456365.db2.gz PADPZSFYRONYPI-GFCCVEGCSA-N 2 2 339.411 2.700 20 5 EFBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229652 1286482850 /nfs/dbraw/zinc/48/28/50/1286482850.db2.gz OQCQVNXKMPKNAH-KUHUBIRLSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229652 1286482854 /nfs/dbraw/zinc/48/28/54/1286482854.db2.gz OQCQVNXKMPKNAH-KUHUBIRLSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522017 1290607304 /nfs/dbraw/zinc/60/73/04/1290607304.db2.gz ODDXGCRKDBXGID-OAHLLOKOSA-N 2 2 335.452 2.725 20 5 EFBDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522017 1290607318 /nfs/dbraw/zinc/60/73/18/1290607318.db2.gz ODDXGCRKDBXGID-OAHLLOKOSA-N 2 2 335.452 2.725 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140569 1294725253 /nfs/dbraw/zinc/72/52/53/1294725253.db2.gz KMBIBUJPXGOZMU-QAPCUYQASA-N 2 2 340.427 2.990 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140569 1294725258 /nfs/dbraw/zinc/72/52/58/1294725258.db2.gz KMBIBUJPXGOZMU-QAPCUYQASA-N 2 2 340.427 2.990 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850720 1300788284 /nfs/dbraw/zinc/78/82/84/1300788284.db2.gz JGDLQECLHAZFLN-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850720 1300788292 /nfs/dbraw/zinc/78/82/92/1300788292.db2.gz JGDLQECLHAZFLN-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850720 1300788302 /nfs/dbraw/zinc/78/83/02/1300788302.db2.gz JGDLQECLHAZFLN-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850720 1300788306 /nfs/dbraw/zinc/78/83/06/1300788306.db2.gz JGDLQECLHAZFLN-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000246729749 1302129268 /nfs/dbraw/zinc/12/92/68/1302129268.db2.gz UFZVGBPHHPVUMF-CXAGYDPISA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000246729749 1302129272 /nfs/dbraw/zinc/12/92/72/1302129272.db2.gz UFZVGBPHHPVUMF-CXAGYDPISA-N 2 2 340.387 2.682 20 5 EFBDLP [NH3+]C1CC[NH+](CCNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001161867062 1311990613 /nfs/dbraw/zinc/99/06/13/1311990613.db2.gz BWBXTAQTRZFWQY-UHFFFAOYSA-N 2 2 349.822 2.631 20 5 EFBDLP C[NH+](C)C1(CNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164206986 1312468097 /nfs/dbraw/zinc/46/80/97/1312468097.db2.gz OMTPOYYAIWKSPX-UHFFFAOYSA-N 2 2 349.479 2.725 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)c1F ZINC001246107002 1314583345 /nfs/dbraw/zinc/58/33/45/1314583345.db2.gz RUTUIXPUVZDKPP-AGIUHOORSA-N 2 2 339.411 2.651 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331320 1314610657 /nfs/dbraw/zinc/61/06/57/1314610657.db2.gz OJOZYAJJCWULPL-ABAIWWIYSA-N 2 2 339.411 2.651 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582733 1314652417 /nfs/dbraw/zinc/65/24/17/1314652417.db2.gz SPCWXQQVNUPKOI-CXAGYDPISA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582733 1314652419 /nfs/dbraw/zinc/65/24/19/1314652419.db2.gz SPCWXQQVNUPKOI-CXAGYDPISA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918824 1314707318 /nfs/dbraw/zinc/70/73/18/1314707318.db2.gz MEAAEHGVBNQTPL-NJZAAPMLSA-N 2 2 339.411 2.875 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918824 1314707321 /nfs/dbraw/zinc/70/73/21/1314707321.db2.gz MEAAEHGVBNQTPL-NJZAAPMLSA-N 2 2 339.411 2.875 20 5 EFBDLP Cc1[nH+]cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CSCC[NH3+] ZINC001254573896 1315725924 /nfs/dbraw/zinc/72/59/24/1315725924.db2.gz DJBCJBKUPPAYJN-OAHLLOKOSA-N 2 2 332.429 2.632 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001254580022 1315727001 /nfs/dbraw/zinc/72/70/01/1315727001.db2.gz YUNPXKAZGYICTC-KRWDZBQOSA-N 2 2 338.411 2.716 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397537 1331342522 /nfs/dbraw/zinc/34/25/22/1331342522.db2.gz OXZNFZABXFARJS-ZBFHGGJFSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397537 1331342526 /nfs/dbraw/zinc/34/25/26/1331342526.db2.gz OXZNFZABXFARJS-ZBFHGGJFSA-N 2 2 346.431 2.530 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000893587520 717808055 /nfs/dbraw/zinc/80/80/55/717808055.db2.gz DCZULGFYDFDHPL-UHFFFAOYSA-N 2 2 337.420 2.521 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000893998913 720213225 /nfs/dbraw/zinc/21/32/25/720213225.db2.gz IVHIIGCPJXAVGC-UHFFFAOYSA-N 2 2 337.420 2.521 20 5 EFBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000159484792 1109661465 /nfs/dbraw/zinc/66/14/65/1109661465.db2.gz HNGRPBGGMIRTCO-UHFFFAOYSA-N 2 2 328.210 2.541 20 5 EFBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000159484792 1109661466 /nfs/dbraw/zinc/66/14/66/1109661466.db2.gz HNGRPBGGMIRTCO-UHFFFAOYSA-N 2 2 328.210 2.541 20 5 EFBDLP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000414616569 244256797 /nfs/dbraw/zinc/25/67/97/244256797.db2.gz IGHVIXGAFGHVNK-GFCCVEGCSA-N 2 2 342.359 2.876 20 5 EFBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874497 244383224 /nfs/dbraw/zinc/38/32/24/244383224.db2.gz BAZGGTBCCMXBKI-RBUKOAKNSA-N 2 2 341.411 2.839 20 5 EFBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2c(c1)COCO2 ZINC000267443714 251062531 /nfs/dbraw/zinc/06/25/31/251062531.db2.gz PSBXIEYXNPXRLE-GFCCVEGCSA-N 2 2 344.371 2.564 20 5 EFBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2c(c1)COCO2 ZINC000267443714 251062538 /nfs/dbraw/zinc/06/25/38/251062538.db2.gz PSBXIEYXNPXRLE-GFCCVEGCSA-N 2 2 344.371 2.564 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159010890 533218948 /nfs/dbraw/zinc/21/89/48/533218948.db2.gz WBTQXHSKUHDIMG-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159010890 533218952 /nfs/dbraw/zinc/21/89/52/533218952.db2.gz WBTQXHSKUHDIMG-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000344855911 533384315 /nfs/dbraw/zinc/38/43/15/533384315.db2.gz LDBNYKJUDBGPNX-IRVMHKCDSA-N 2 2 333.432 2.699 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344790868 142078642 /nfs/dbraw/zinc/07/86/42/142078642.db2.gz JYFOHQWAZVQOHU-PTNGSMBKSA-N 2 2 333.432 2.699 20 5 EFBDLP CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000344032205 145350686 /nfs/dbraw/zinc/35/06/86/145350686.db2.gz PSGOWYLPGBSQTP-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000344032205 145350688 /nfs/dbraw/zinc/35/06/88/145350688.db2.gz PSGOWYLPGBSQTP-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368828881 150216272 /nfs/dbraw/zinc/21/62/72/150216272.db2.gz GXHHXOMNFUHGRG-QWHCGFSZSA-N 2 2 341.358 2.913 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368828881 150216275 /nfs/dbraw/zinc/21/62/75/150216275.db2.gz GXHHXOMNFUHGRG-QWHCGFSZSA-N 2 2 341.358 2.913 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688417 151046652 /nfs/dbraw/zinc/04/66/52/151046652.db2.gz DYOIZFORFXQCIE-CYBMUJFWSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688417 151046654 /nfs/dbraw/zinc/04/66/54/151046654.db2.gz DYOIZFORFXQCIE-CYBMUJFWSA-N 2 2 338.839 2.829 20 5 EFBDLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000374146009 151290957 /nfs/dbraw/zinc/29/09/57/151290957.db2.gz VKDFGGGEYBIVQE-CQSZACIVSA-N 2 2 330.388 2.776 20 5 EFBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000269667564 273087951 /nfs/dbraw/zinc/08/79/51/273087951.db2.gz SXIDUBGACDNHHX-GOSISDBHSA-N 2 2 333.432 2.579 20 5 EFBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589463 278232272 /nfs/dbraw/zinc/23/22/72/278232272.db2.gz XVFZUDDZWJYBAD-KBXCAEBGSA-N 2 2 333.432 2.673 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182809983 281022019 /nfs/dbraw/zinc/02/20/19/281022019.db2.gz GWEQRNSGQZEIMN-JKSUJKDBSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182809983 281022020 /nfs/dbraw/zinc/02/20/20/281022020.db2.gz GWEQRNSGQZEIMN-JKSUJKDBSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000340023492 281259960 /nfs/dbraw/zinc/25/99/60/281259960.db2.gz PXPLSAYJLNEOPI-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153883974 293399278 /nfs/dbraw/zinc/39/92/78/293399278.db2.gz JNXFXNMOXXYPHD-ZDUSSCGKSA-N 2 2 330.388 2.633 20 5 EFBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153883974 293399280 /nfs/dbraw/zinc/39/92/80/293399280.db2.gz JNXFXNMOXXYPHD-ZDUSSCGKSA-N 2 2 330.388 2.633 20 5 EFBDLP Cc1cc(NC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299397454 311080547 /nfs/dbraw/zinc/08/05/47/311080547.db2.gz WAQBHGJJTFWRFB-UHFFFAOYSA-N 2 2 327.388 2.866 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853519 311338789 /nfs/dbraw/zinc/33/87/89/311338789.db2.gz GQEHMIPBDBKLFA-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853519 311338791 /nfs/dbraw/zinc/33/87/91/311338791.db2.gz GQEHMIPBDBKLFA-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853519 311338793 /nfs/dbraw/zinc/33/87/93/311338793.db2.gz GQEHMIPBDBKLFA-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853519 311338795 /nfs/dbraw/zinc/33/87/95/311338795.db2.gz GQEHMIPBDBKLFA-CABCVRRESA-N 2 2 348.447 2.646 20 5 EFBDLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709841 311410469 /nfs/dbraw/zinc/41/04/69/311410469.db2.gz CLUDQFSJPILFEZ-CVEARBPZSA-N 2 2 335.452 2.597 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000414804825 312053665 /nfs/dbraw/zinc/05/36/65/312053665.db2.gz XWFPEYVZKLBULU-OAHLLOKOSA-N 2 2 333.388 2.936 20 5 EFBDLP COc1cc(C[N@H+](C)CC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415108588 312095553 /nfs/dbraw/zinc/09/55/53/312095553.db2.gz MNAZSNJHXZSOJT-UHFFFAOYSA-N 2 2 345.399 2.573 20 5 EFBDLP COc1cc(C[N@@H+](C)CC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415108588 312095556 /nfs/dbraw/zinc/09/55/56/312095556.db2.gz MNAZSNJHXZSOJT-UHFFFAOYSA-N 2 2 345.399 2.573 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470169858 313129576 /nfs/dbraw/zinc/12/95/76/313129576.db2.gz LAMXVWRFJAZKDO-QMJOVRGKSA-N 2 2 345.443 2.652 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470169858 313129579 /nfs/dbraw/zinc/12/95/79/313129579.db2.gz LAMXVWRFJAZKDO-QMJOVRGKSA-N 2 2 345.443 2.652 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)n1 ZINC000551573078 318210137 /nfs/dbraw/zinc/21/01/37/318210137.db2.gz ZRGUJSYMQCQWMR-CABCVRRESA-N 2 2 344.419 2.598 20 5 EFBDLP CCc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566738501 319106451 /nfs/dbraw/zinc/10/64/51/319106451.db2.gz WXOPUVWFFWAEHM-VXGBXAGGSA-N 2 2 329.404 2.574 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244933 320188226 /nfs/dbraw/zinc/18/82/26/320188226.db2.gz VIBWQTCXDLIHIC-GXSJLCMTSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244933 320188227 /nfs/dbraw/zinc/18/82/27/320188227.db2.gz VIBWQTCXDLIHIC-GXSJLCMTSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632488 473236103 /nfs/dbraw/zinc/23/61/03/473236103.db2.gz BANPJWNSRQWCOJ-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632488 473236105 /nfs/dbraw/zinc/23/61/05/473236105.db2.gz BANPJWNSRQWCOJ-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632488 473236110 /nfs/dbraw/zinc/23/61/10/473236110.db2.gz BANPJWNSRQWCOJ-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632488 473236115 /nfs/dbraw/zinc/23/61/15/473236115.db2.gz BANPJWNSRQWCOJ-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCCC1 ZINC000616488885 479924146 /nfs/dbraw/zinc/92/41/46/479924146.db2.gz AGLLYPYJMMAHEQ-UHFFFAOYSA-N 2 2 349.431 2.578 20 5 EFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857604 472452945 /nfs/dbraw/zinc/45/29/45/472452945.db2.gz JLWIXUJBZFQBPH-HZPDHXFCSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857604 472452949 /nfs/dbraw/zinc/45/29/49/472452949.db2.gz JLWIXUJBZFQBPH-HZPDHXFCSA-N 2 2 333.432 2.700 20 5 EFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131888727 472699007 /nfs/dbraw/zinc/69/90/07/472699007.db2.gz YFNWSUJBSZQKBF-QGZVFWFLSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157626747 472841337 /nfs/dbraw/zinc/84/13/37/472841337.db2.gz GSAMGQGXRXDYNU-ROUUACIJSA-N 2 2 329.444 2.990 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157626747 472841343 /nfs/dbraw/zinc/84/13/43/472841343.db2.gz GSAMGQGXRXDYNU-ROUUACIJSA-N 2 2 329.444 2.990 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072485 472853220 /nfs/dbraw/zinc/85/32/20/472853220.db2.gz UBFAURHILLSUKD-LBPRGKRZSA-N 2 2 346.387 2.715 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072485 472853224 /nfs/dbraw/zinc/85/32/24/472853224.db2.gz UBFAURHILLSUKD-LBPRGKRZSA-N 2 2 346.387 2.715 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960752 473113856 /nfs/dbraw/zinc/11/38/56/473113856.db2.gz HMNHUAMRMNQKPR-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960752 473113864 /nfs/dbraw/zinc/11/38/64/473113864.db2.gz HMNHUAMRMNQKPR-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123797876 473186212 /nfs/dbraw/zinc/18/62/12/473186212.db2.gz FJPQCVMRVXHTHF-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123797876 473186220 /nfs/dbraw/zinc/18/62/20/473186220.db2.gz FJPQCVMRVXHTHF-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269308329 473768342 /nfs/dbraw/zinc/76/83/42/473768342.db2.gz FFEUXTMNAVQSDC-UHFFFAOYSA-N 2 2 332.448 2.590 20 5 EFBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000269323868 473773571 /nfs/dbraw/zinc/77/35/71/473773571.db2.gz KEWVBWZISUIVRK-UHFFFAOYSA-N 2 2 332.448 2.590 20 5 EFBDLP COc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000173370045 473817579 /nfs/dbraw/zinc/81/75/79/473817579.db2.gz WLYNUFMCZFELBD-UHFFFAOYSA-N 2 2 346.387 2.516 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000288373338 473924869 /nfs/dbraw/zinc/92/48/69/473924869.db2.gz LIXYZGJVBPTTKT-UHFFFAOYSA-N 2 2 326.828 2.686 20 5 EFBDLP C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247591509 474187093 /nfs/dbraw/zinc/18/70/93/474187093.db2.gz MNUJDIUFHUCQNK-WMLDXEAASA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247591509 474187101 /nfs/dbraw/zinc/18/71/01/474187101.db2.gz MNUJDIUFHUCQNK-WMLDXEAASA-N 2 2 330.388 2.753 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247980197 474237556 /nfs/dbraw/zinc/23/75/56/474237556.db2.gz IFPXBWPUJONTSD-YOEHRIQHSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247980197 474237561 /nfs/dbraw/zinc/23/75/61/474237561.db2.gz IFPXBWPUJONTSD-YOEHRIQHSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247980197 474237565 /nfs/dbraw/zinc/23/75/65/474237565.db2.gz IFPXBWPUJONTSD-YOEHRIQHSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247980197 474237570 /nfs/dbraw/zinc/23/75/70/474237570.db2.gz IFPXBWPUJONTSD-YOEHRIQHSA-N 2 2 333.432 2.910 20 5 EFBDLP Cc1cc(N(C)CC[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000184784503 474608087 /nfs/dbraw/zinc/60/80/87/474608087.db2.gz NKDLHQBMGBHOCU-UHFFFAOYSA-N 2 2 341.415 2.891 20 5 EFBDLP Cc1cc(N(C)CC[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000184784503 474608090 /nfs/dbraw/zinc/60/80/90/474608090.db2.gz NKDLHQBMGBHOCU-UHFFFAOYSA-N 2 2 341.415 2.891 20 5 EFBDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155137 474707048 /nfs/dbraw/zinc/70/70/48/474707048.db2.gz VMCQBDZVIROHCR-ROUUACIJSA-N 2 2 335.448 2.728 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000268009842 474750631 /nfs/dbraw/zinc/75/06/31/474750631.db2.gz DYYBDHSWSJSRTQ-UHFFFAOYSA-N 2 2 332.448 2.874 20 5 EFBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386091 480156220 /nfs/dbraw/zinc/15/62/20/480156220.db2.gz KLXGYJSLRIMBSO-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386091 480156227 /nfs/dbraw/zinc/15/62/27/480156227.db2.gz KLXGYJSLRIMBSO-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251144 475575219 /nfs/dbraw/zinc/57/52/19/475575219.db2.gz UFEQWEFPENCCKW-STQMWFEESA-N 2 2 331.420 2.776 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251144 475575226 /nfs/dbraw/zinc/57/52/26/475575226.db2.gz UFEQWEFPENCCKW-STQMWFEESA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251144 475575233 /nfs/dbraw/zinc/57/52/33/475575233.db2.gz UFEQWEFPENCCKW-STQMWFEESA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251144 475575238 /nfs/dbraw/zinc/57/52/38/475575238.db2.gz UFEQWEFPENCCKW-STQMWFEESA-N 2 2 331.420 2.776 20 5 EFBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855783 475916136 /nfs/dbraw/zinc/91/61/36/475916136.db2.gz VRTDCCONMPVWDE-HZPDHXFCSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855783 475916146 /nfs/dbraw/zinc/91/61/46/475916146.db2.gz VRTDCCONMPVWDE-HZPDHXFCSA-N 2 2 345.399 2.793 20 5 EFBDLP CC[NH+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516684 476036975 /nfs/dbraw/zinc/03/69/75/476036975.db2.gz JCILKKNWPDZGIP-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000362324332 476169957 /nfs/dbraw/zinc/16/99/57/476169957.db2.gz QDFYLMXANGYNIZ-AWEZNQCLSA-N 2 2 347.346 2.791 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000362324332 476169966 /nfs/dbraw/zinc/16/99/66/476169966.db2.gz QDFYLMXANGYNIZ-AWEZNQCLSA-N 2 2 347.346 2.791 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051324 476189323 /nfs/dbraw/zinc/18/93/23/476189323.db2.gz MZLUGOBTLIHPSF-ZIAGYGMSSA-N 2 2 344.440 2.760 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051324 476189328 /nfs/dbraw/zinc/18/93/28/476189328.db2.gz MZLUGOBTLIHPSF-ZIAGYGMSSA-N 2 2 344.440 2.760 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099036 476425326 /nfs/dbraw/zinc/42/53/26/476425326.db2.gz AQYOSHGQUGBNKJ-MRXNPFEDSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099036 476425329 /nfs/dbraw/zinc/42/53/29/476425329.db2.gz AQYOSHGQUGBNKJ-MRXNPFEDSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099036 476425335 /nfs/dbraw/zinc/42/53/35/476425335.db2.gz AQYOSHGQUGBNKJ-MRXNPFEDSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099036 476425342 /nfs/dbraw/zinc/42/53/42/476425342.db2.gz AQYOSHGQUGBNKJ-MRXNPFEDSA-N 2 2 333.432 2.767 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620643 476650145 /nfs/dbraw/zinc/65/01/45/476650145.db2.gz CULPFLBTAXELHS-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620643 476650148 /nfs/dbraw/zinc/65/01/48/476650148.db2.gz CULPFLBTAXELHS-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658232 476665436 /nfs/dbraw/zinc/66/54/36/476665436.db2.gz DOFSGHFVIRWBMO-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658232 476665442 /nfs/dbraw/zinc/66/54/42/476665442.db2.gz DOFSGHFVIRWBMO-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174638 476953380 /nfs/dbraw/zinc/95/33/80/476953380.db2.gz BNNNBHQPNRBEFZ-MRXNPFEDSA-N 2 2 343.431 2.669 20 5 EFBDLP CC(C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000431072682 476971580 /nfs/dbraw/zinc/97/15/80/476971580.db2.gz GLXGSUDHRNHCFN-UHFFFAOYSA-N 2 2 333.392 2.582 20 5 EFBDLP CC(C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000431072682 476971583 /nfs/dbraw/zinc/97/15/83/476971583.db2.gz GLXGSUDHRNHCFN-UHFFFAOYSA-N 2 2 333.392 2.582 20 5 EFBDLP CCCC[C@@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304459 476988529 /nfs/dbraw/zinc/98/85/29/476988529.db2.gz YWKSDNXNUXORTI-GOEBONIOSA-N 2 2 331.420 2.525 20 5 EFBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514498 477057400 /nfs/dbraw/zinc/05/74/00/477057400.db2.gz DDBCEFXGOSMHMQ-STQMWFEESA-N 2 2 347.440 2.962 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000366610613 477094823 /nfs/dbraw/zinc/09/48/23/477094823.db2.gz SNTPHVHLNCUMMB-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000366610613 477094829 /nfs/dbraw/zinc/09/48/29/477094829.db2.gz SNTPHVHLNCUMMB-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263865 477201222 /nfs/dbraw/zinc/20/12/22/477201222.db2.gz UKXPGFCKPDPGCF-MSOLQXFVSA-N 2 2 335.448 2.872 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263865 477201232 /nfs/dbraw/zinc/20/12/32/477201232.db2.gz UKXPGFCKPDPGCF-MSOLQXFVSA-N 2 2 335.448 2.872 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316308 477237543 /nfs/dbraw/zinc/23/75/43/477237543.db2.gz CRHFGLANERJBGN-BPUTZDHNSA-N 2 2 349.431 2.507 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316308 477237549 /nfs/dbraw/zinc/23/75/49/477237549.db2.gz CRHFGLANERJBGN-BPUTZDHNSA-N 2 2 349.431 2.507 20 5 EFBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370306 477728638 /nfs/dbraw/zinc/72/86/38/477728638.db2.gz OXKDFYXTUWUSPC-SNUQEOBHSA-N 2 2 344.415 2.768 20 5 EFBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370310 477728721 /nfs/dbraw/zinc/72/87/21/477728721.db2.gz OXKDFYXTUWUSPC-VBHSOAQHSA-N 2 2 344.415 2.768 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427858047 477782369 /nfs/dbraw/zinc/78/23/69/477782369.db2.gz RYPWPFXFUUQQIF-JKSUJKDBSA-N 2 2 326.400 2.717 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875860 478002972 /nfs/dbraw/zinc/00/29/72/478002972.db2.gz YLIQGMUKNFWZLQ-CQSZACIVSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727018 478490940 /nfs/dbraw/zinc/49/09/40/478490940.db2.gz NVMQZXQCKXOMHH-NWDGAFQWSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727018 478490952 /nfs/dbraw/zinc/49/09/52/478490952.db2.gz NVMQZXQCKXOMHH-NWDGAFQWSA-N 2 2 347.337 2.563 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282616 478509614 /nfs/dbraw/zinc/50/96/14/478509614.db2.gz GBBSQIOOIVCULQ-LBPRGKRZSA-N 2 2 341.358 2.961 20 5 EFBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776246 478515419 /nfs/dbraw/zinc/51/54/19/478515419.db2.gz QGYHRHMHZKDBMP-QWHCGFSZSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776246 478515424 /nfs/dbraw/zinc/51/54/24/478515424.db2.gz QGYHRHMHZKDBMP-QWHCGFSZSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436553 478550861 /nfs/dbraw/zinc/55/08/61/478550861.db2.gz BSQLNJSFEUHZRJ-BBRMVZONSA-N 2 2 339.399 2.548 20 5 EFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581113 478584628 /nfs/dbraw/zinc/58/46/28/478584628.db2.gz KUJPTDISYWEJKE-AVGNSLFASA-N 2 2 327.425 2.755 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105216 478662660 /nfs/dbraw/zinc/66/26/60/478662660.db2.gz RGZIWOOHOXSFGL-GOEBONIOSA-N 2 2 333.432 2.807 20 5 EFBDLP COCC(C)(C)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601179204 478709026 /nfs/dbraw/zinc/70/90/26/478709026.db2.gz OVNHWLZXQUQGLC-UHFFFAOYSA-N 2 2 344.415 2.690 20 5 EFBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988062 479191163 /nfs/dbraw/zinc/19/11/63/479191163.db2.gz XSVTXKYUSRHKFV-JYJNAYRXSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988062 479191168 /nfs/dbraw/zinc/19/11/68/479191168.db2.gz XSVTXKYUSRHKFV-JYJNAYRXSA-N 2 2 335.452 2.739 20 5 EFBDLP Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596427151 479292122 /nfs/dbraw/zinc/29/21/22/479292122.db2.gz AEDRMUOFIHQGAK-CYBMUJFWSA-N 2 2 329.404 2.534 20 5 EFBDLP Cc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718322 479315960 /nfs/dbraw/zinc/31/59/60/479315960.db2.gz CKORFFGVTRVEDT-QGZVFWFLSA-N 2 2 333.432 2.590 20 5 EFBDLP Cc1c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718322 479315962 /nfs/dbraw/zinc/31/59/62/479315962.db2.gz CKORFFGVTRVEDT-QGZVFWFLSA-N 2 2 333.432 2.590 20 5 EFBDLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602544957 479391470 /nfs/dbraw/zinc/39/14/70/479391470.db2.gz CUYCQXHXNFPBNN-UHFFFAOYSA-N 2 2 335.448 2.616 20 5 EFBDLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733364 479437237 /nfs/dbraw/zinc/43/72/37/479437237.db2.gz LWSDGMRJMXOKNJ-SWLSCSKDSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733364 479437244 /nfs/dbraw/zinc/43/72/44/479437244.db2.gz LWSDGMRJMXOKNJ-SWLSCSKDSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733362 479437760 /nfs/dbraw/zinc/43/77/60/479437760.db2.gz LWSDGMRJMXOKNJ-DOMZBBRYSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733362 479437767 /nfs/dbraw/zinc/43/77/67/479437767.db2.gz LWSDGMRJMXOKNJ-DOMZBBRYSA-N 2 2 345.403 2.594 20 5 EFBDLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571528 479497222 /nfs/dbraw/zinc/49/72/22/479497222.db2.gz BPZQGHUFAYKAIZ-GOSISDBHSA-N 2 2 333.432 2.673 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000602715046 479498725 /nfs/dbraw/zinc/49/87/25/479498725.db2.gz LZHWSXGOCNOCGJ-AWEZNQCLSA-N 2 2 344.415 2.948 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000602715046 479498734 /nfs/dbraw/zinc/49/87/34/479498734.db2.gz LZHWSXGOCNOCGJ-AWEZNQCLSA-N 2 2 344.415 2.948 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602789362 479554200 /nfs/dbraw/zinc/55/42/00/479554200.db2.gz ZMDJRUOONUCENK-RDJZCZTQSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602789362 479554207 /nfs/dbraw/zinc/55/42/07/479554207.db2.gz ZMDJRUOONUCENK-RDJZCZTQSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602789362 479554216 /nfs/dbraw/zinc/55/42/16/479554216.db2.gz ZMDJRUOONUCENK-RDJZCZTQSA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602789362 479554220 /nfs/dbraw/zinc/55/42/20/479554220.db2.gz ZMDJRUOONUCENK-RDJZCZTQSA-N 2 2 349.479 2.686 20 5 EFBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000602849977 479592676 /nfs/dbraw/zinc/59/26/76/479592676.db2.gz SMXCOIUXRIGRAG-UHFFFAOYSA-N 2 2 348.353 2.980 20 5 EFBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000602849977 479592681 /nfs/dbraw/zinc/59/26/81/479592681.db2.gz SMXCOIUXRIGRAG-UHFFFAOYSA-N 2 2 348.353 2.980 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156383967 527390775 /nfs/dbraw/zinc/39/07/75/527390775.db2.gz BOBWZZYDBBNTJI-QGZVFWFLSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156383967 527390779 /nfs/dbraw/zinc/39/07/79/527390779.db2.gz BOBWZZYDBBNTJI-QGZVFWFLSA-N 2 2 329.356 2.522 20 5 EFBDLP CC(C)N(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000348922647 535026829 /nfs/dbraw/zinc/02/68/29/535026829.db2.gz RJCKBSCDQOBMPL-UHFFFAOYSA-N 2 2 343.431 2.800 20 5 EFBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658135 576384974 /nfs/dbraw/zinc/38/49/74/576384974.db2.gz CJUUWYJCYLNTJL-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658135 576384978 /nfs/dbraw/zinc/38/49/78/576384978.db2.gz CJUUWYJCYLNTJL-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000923421363 1261645212 /nfs/dbraw/zinc/64/52/12/1261645212.db2.gz NDRGTNBXERDYJI-VXGBXAGGSA-N 2 2 328.210 2.573 20 5 EFBDLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967519 1272559901 /nfs/dbraw/zinc/55/99/01/1272559901.db2.gz QIANFVRWSGOTMR-SJLPKXTDSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996047 1272573452 /nfs/dbraw/zinc/57/34/52/1272573452.db2.gz UMNAMUKKMZGKFK-FUHWJXTLSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318682 1279011035 /nfs/dbraw/zinc/01/10/35/1279011035.db2.gz ROHLUNVVSQDGLQ-BBRMVZONSA-N 2 2 333.432 2.608 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318682 1279011045 /nfs/dbraw/zinc/01/10/45/1279011045.db2.gz ROHLUNVVSQDGLQ-BBRMVZONSA-N 2 2 333.432 2.608 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1F ZINC001173174841 1286451330 /nfs/dbraw/zinc/45/13/30/1286451330.db2.gz DNPPWCYXGOJSTD-GFCCVEGCSA-N 2 2 336.367 2.550 20 5 EFBDLP COCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173227655 1286482293 /nfs/dbraw/zinc/48/22/93/1286482293.db2.gz RXIUTVVJPZFQKJ-OAHLLOKOSA-N 2 2 335.448 2.568 20 5 EFBDLP COCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173227655 1286482295 /nfs/dbraw/zinc/48/22/95/1286482295.db2.gz RXIUTVVJPZFQKJ-OAHLLOKOSA-N 2 2 335.448 2.568 20 5 EFBDLP Cc1c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873070660 1289552618 /nfs/dbraw/zinc/55/26/18/1289552618.db2.gz URWAWXPQGNMRJK-UHFFFAOYSA-N 2 2 335.448 2.882 20 5 EFBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135236 1295287694 /nfs/dbraw/zinc/28/76/94/1295287694.db2.gz YWHKXZFYHIRWGG-CYBMUJFWSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135236 1295287699 /nfs/dbraw/zinc/28/76/99/1295287699.db2.gz YWHKXZFYHIRWGG-CYBMUJFWSA-N 2 2 330.363 2.840 20 5 EFBDLP C[NH+](C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164212744 1312469069 /nfs/dbraw/zinc/46/90/69/1312469069.db2.gz AOMWHEUBXOIAOM-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP C[NH+](C)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164212737 1312469596 /nfs/dbraw/zinc/46/95/96/1312469596.db2.gz AJKWPEKRWBHJHJ-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465977 1315706962 /nfs/dbraw/zinc/70/69/62/1315706962.db2.gz SIXZSRLOOUCIEF-HNNXBMFYSA-N 2 2 332.448 2.638 20 5 EFBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470596 1315707073 /nfs/dbraw/zinc/70/70/73/1315707073.db2.gz ZIPHEFKHMLXKQK-KRWDZBQOSA-N 2 2 346.475 2.884 20 5 EFBDLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470596 1315707075 /nfs/dbraw/zinc/70/70/75/1315707075.db2.gz ZIPHEFKHMLXKQK-KRWDZBQOSA-N 2 2 346.475 2.884 20 5 EFBDLP CC[N@H+](CCn1cc[nH+]c1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481619 1315708913 /nfs/dbraw/zinc/70/89/13/1315708913.db2.gz XPMLXTSDHDRHHT-UHFFFAOYSA-N 2 2 343.431 2.782 20 5 EFBDLP CC[N@@H+](CCn1cc[nH+]c1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481619 1315708915 /nfs/dbraw/zinc/70/89/15/1315708915.db2.gz XPMLXTSDHDRHHT-UHFFFAOYSA-N 2 2 343.431 2.782 20 5 EFBDLP COCC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254561635 1315723906 /nfs/dbraw/zinc/72/39/06/1315723906.db2.gz HGLQAWRARWSLGN-HNNXBMFYSA-N 2 2 335.448 2.568 20 5 EFBDLP COCC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254561635 1315723908 /nfs/dbraw/zinc/72/39/08/1315723908.db2.gz HGLQAWRARWSLGN-HNNXBMFYSA-N 2 2 335.448 2.568 20 5 EFBDLP COCC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254561636 1315724049 /nfs/dbraw/zinc/72/40/49/1315724049.db2.gz HGLQAWRARWSLGN-OAHLLOKOSA-N 2 2 335.448 2.568 20 5 EFBDLP COCC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254561636 1315724051 /nfs/dbraw/zinc/72/40/51/1315724051.db2.gz HGLQAWRARWSLGN-OAHLLOKOSA-N 2 2 335.448 2.568 20 5 EFBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606319 1315730193 /nfs/dbraw/zinc/73/01/93/1315730193.db2.gz GJHMHVARPKWLHX-ROUUACIJSA-N 2 2 339.395 2.919 20 5 EFBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606319 1315730195 /nfs/dbraw/zinc/73/01/95/1315730195.db2.gz GJHMHVARPKWLHX-ROUUACIJSA-N 2 2 339.395 2.919 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637625 1316422262 /nfs/dbraw/zinc/42/22/62/1316422262.db2.gz AIDHOEWBSQCXMB-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637625 1316422263 /nfs/dbraw/zinc/42/22/63/1316422263.db2.gz AIDHOEWBSQCXMB-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP COc1cc(C[NH2+]C[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579152795 1090528403 /nfs/dbraw/zinc/52/84/03/1090528403.db2.gz IBYZQZOXZGKHDJ-ZDUSSCGKSA-N 2 2 345.399 2.619 20 5 EFBDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976481 283337489 /nfs/dbraw/zinc/33/74/89/283337489.db2.gz XSVTXKYUSRHKFV-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976481 283337490 /nfs/dbraw/zinc/33/74/90/283337490.db2.gz XSVTXKYUSRHKFV-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP [NH3+]C1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261783780 240324908 /nfs/dbraw/zinc/32/49/08/240324908.db2.gz OAPUVBUAKMYYJU-UHFFFAOYSA-N 2 2 340.343 2.559 20 5 EFBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236836318 242376420 /nfs/dbraw/zinc/37/64/20/242376420.db2.gz HKZGGRJMYDMZRZ-QGZVFWFLSA-N 2 2 343.431 2.569 20 5 EFBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236836318 242376425 /nfs/dbraw/zinc/37/64/25/242376425.db2.gz HKZGGRJMYDMZRZ-QGZVFWFLSA-N 2 2 343.431 2.569 20 5 EFBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874023 244379001 /nfs/dbraw/zinc/37/90/01/244379001.db2.gz AMFWNBHLNNSGHE-RBUKOAKNSA-N 2 2 341.411 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414885166 244388826 /nfs/dbraw/zinc/38/88/26/244388826.db2.gz BQBCIIMTQMHGAJ-QZTJIDSGSA-N 2 2 329.375 2.969 20 5 EFBDLP CCC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000109788555 204292893 /nfs/dbraw/zinc/29/28/93/204292893.db2.gz KSZKIYZUTRKUAU-UHFFFAOYSA-N 2 2 349.431 2.768 20 5 EFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000109788555 204292896 /nfs/dbraw/zinc/29/28/96/204292896.db2.gz KSZKIYZUTRKUAU-UHFFFAOYSA-N 2 2 349.431 2.768 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156506536 206082568 /nfs/dbraw/zinc/08/25/68/206082568.db2.gz VFXVHHKCGPYSEX-ZBFHGGJFSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156506536 206082574 /nfs/dbraw/zinc/08/25/74/206082574.db2.gz VFXVHHKCGPYSEX-ZBFHGGJFSA-N 2 2 330.388 2.753 20 5 EFBDLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367106 247060991 /nfs/dbraw/zinc/06/09/91/247060991.db2.gz HCYNCSSINIZSER-HNNXBMFYSA-N 2 2 343.431 2.774 20 5 EFBDLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367106 247060994 /nfs/dbraw/zinc/06/09/94/247060994.db2.gz HCYNCSSINIZSER-HNNXBMFYSA-N 2 2 343.431 2.774 20 5 EFBDLP CC[N@H+](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000433774244 248087354 /nfs/dbraw/zinc/08/73/54/248087354.db2.gz KXBAQEGLSCMOBN-UHFFFAOYSA-N 2 2 341.415 2.678 20 5 EFBDLP CC[N@@H+](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000433774244 248087358 /nfs/dbraw/zinc/08/73/58/248087358.db2.gz KXBAQEGLSCMOBN-UHFFFAOYSA-N 2 2 341.415 2.678 20 5 EFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285172 207211351 /nfs/dbraw/zinc/21/13/51/207211351.db2.gz QCUNWKXGSZVGCI-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285172 207211357 /nfs/dbraw/zinc/21/13/57/207211357.db2.gz QCUNWKXGSZVGCI-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285172 207211361 /nfs/dbraw/zinc/21/13/61/207211361.db2.gz QCUNWKXGSZVGCI-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285172 207211364 /nfs/dbraw/zinc/21/13/64/207211364.db2.gz QCUNWKXGSZVGCI-CQSZACIVSA-N 2 2 349.431 2.625 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344790869 142078723 /nfs/dbraw/zinc/07/87/23/142078723.db2.gz JYFOHQWAZVQOHU-RVDMUPIBSA-N 2 2 333.432 2.699 20 5 EFBDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368037110 150017434 /nfs/dbraw/zinc/01/74/34/150017434.db2.gz LRGKSTXQROAHHW-UHFFFAOYSA-N 2 2 329.404 2.764 20 5 EFBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199304 544571364 /nfs/dbraw/zinc/57/13/64/544571364.db2.gz KJJZFNMGTBUDCZ-CHWSQXEVSA-N 2 2 345.403 2.589 20 5 EFBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199304 544571367 /nfs/dbraw/zinc/57/13/67/544571367.db2.gz KJJZFNMGTBUDCZ-CHWSQXEVSA-N 2 2 345.403 2.589 20 5 EFBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000269667569 273087976 /nfs/dbraw/zinc/08/79/76/273087976.db2.gz SXIDUBGACDNHHX-SFHVURJKSA-N 2 2 333.432 2.579 20 5 EFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531653 279275649 /nfs/dbraw/zinc/27/56/49/279275649.db2.gz SCBCXZMELHOREX-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531653 279275650 /nfs/dbraw/zinc/27/56/50/279275650.db2.gz SCBCXZMELHOREX-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193464513 280374749 /nfs/dbraw/zinc/37/47/49/280374749.db2.gz APMJACVMIURFND-UHFFFAOYSA-N 2 2 332.448 2.593 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309591 311366898 /nfs/dbraw/zinc/36/68/98/311366898.db2.gz YITIGGPNXMHCKM-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309591 311366900 /nfs/dbraw/zinc/36/69/00/311366900.db2.gz YITIGGPNXMHCKM-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309591 311366902 /nfs/dbraw/zinc/36/69/02/311366902.db2.gz YITIGGPNXMHCKM-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309591 311366903 /nfs/dbraw/zinc/36/69/03/311366903.db2.gz YITIGGPNXMHCKM-HUUCEWRRSA-N 2 2 348.447 2.646 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000414804823 312053610 /nfs/dbraw/zinc/05/36/10/312053610.db2.gz XWFPEYVZKLBULU-HNNXBMFYSA-N 2 2 333.388 2.936 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414895668 312058850 /nfs/dbraw/zinc/05/88/50/312058850.db2.gz YNCODLKWOPVRIE-OAHLLOKOSA-N 2 2 331.372 2.690 20 5 EFBDLP C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118623 312097430 /nfs/dbraw/zinc/09/74/30/312097430.db2.gz DTLYFLQSGYOIGR-PWSUYJOCSA-N 2 2 329.347 2.613 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118623 312097431 /nfs/dbraw/zinc/09/74/31/312097431.db2.gz DTLYFLQSGYOIGR-PWSUYJOCSA-N 2 2 329.347 2.613 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000470169856 313129053 /nfs/dbraw/zinc/12/90/53/313129053.db2.gz LAMXVWRFJAZKDO-MUMAZLPKSA-N 2 2 345.443 2.652 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000470169856 313129054 /nfs/dbraw/zinc/12/90/54/313129054.db2.gz LAMXVWRFJAZKDO-MUMAZLPKSA-N 2 2 345.443 2.652 20 5 EFBDLP CCc1cc(NC[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489017815 313536063 /nfs/dbraw/zinc/53/60/63/313536063.db2.gz UOWOLOZBVQHPGF-ZDUSSCGKSA-N 2 2 343.431 2.646 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531931489 317334408 /nfs/dbraw/zinc/33/44/08/317334408.db2.gz OMUAXRBRAYHNPC-RDJZCZTQSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531931489 317334411 /nfs/dbraw/zinc/33/44/11/317334411.db2.gz OMUAXRBRAYHNPC-RDJZCZTQSA-N 2 2 335.448 2.911 20 5 EFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536371438 317630742 /nfs/dbraw/zinc/63/07/42/317630742.db2.gz PCWWKQNDZHQPRZ-UHFFFAOYSA-N 2 2 342.399 2.945 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662583 319306921 /nfs/dbraw/zinc/30/69/21/319306921.db2.gz DGHFCSLJURFVMT-VBQJREDUSA-N 2 2 333.432 2.671 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662583 319306922 /nfs/dbraw/zinc/30/69/22/319306922.db2.gz DGHFCSLJURFVMT-VBQJREDUSA-N 2 2 333.432 2.671 20 5 EFBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630512 473234507 /nfs/dbraw/zinc/23/45/07/473234507.db2.gz MROCWFMPUSPOKB-MRXNPFEDSA-N 2 2 333.432 2.637 20 5 EFBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630512 473234510 /nfs/dbraw/zinc/23/45/10/473234510.db2.gz MROCWFMPUSPOKB-MRXNPFEDSA-N 2 2 333.432 2.637 20 5 EFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630512 473234514 /nfs/dbraw/zinc/23/45/14/473234514.db2.gz MROCWFMPUSPOKB-MRXNPFEDSA-N 2 2 333.432 2.637 20 5 EFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630512 473234515 /nfs/dbraw/zinc/23/45/15/473234515.db2.gz MROCWFMPUSPOKB-MRXNPFEDSA-N 2 2 333.432 2.637 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156383837 472700256 /nfs/dbraw/zinc/70/02/56/472700256.db2.gz BOBWZZYDBBNTJI-KRWDZBQOSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156383837 472700261 /nfs/dbraw/zinc/70/02/61/472700261.db2.gz BOBWZZYDBBNTJI-KRWDZBQOSA-N 2 2 329.356 2.522 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725244 472708611 /nfs/dbraw/zinc/70/86/11/472708611.db2.gz FQFOLTSYNILHOE-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725244 472708615 /nfs/dbraw/zinc/70/86/15/472708615.db2.gz FQFOLTSYNILHOE-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725244 472708621 /nfs/dbraw/zinc/70/86/21/472708621.db2.gz FQFOLTSYNILHOE-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725244 472708627 /nfs/dbraw/zinc/70/86/27/472708627.db2.gz FQFOLTSYNILHOE-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000065223074 472909706 /nfs/dbraw/zinc/90/97/06/472909706.db2.gz NRPJUOVJTQTHDB-UHFFFAOYSA-N 2 2 333.432 2.924 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959335 473112458 /nfs/dbraw/zinc/11/24/58/473112458.db2.gz AYTVBXJXYHAUNJ-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959335 473112466 /nfs/dbraw/zinc/11/24/66/473112466.db2.gz AYTVBXJXYHAUNJ-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960754 473114908 /nfs/dbraw/zinc/11/49/08/473114908.db2.gz HMNHUAMRMNQKPR-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960754 473114914 /nfs/dbraw/zinc/11/49/14/473114914.db2.gz HMNHUAMRMNQKPR-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597551 473121828 /nfs/dbraw/zinc/12/18/28/473121828.db2.gz DWJYBAYVYSYROY-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597551 473121833 /nfs/dbraw/zinc/12/18/33/473121833.db2.gz DWJYBAYVYSYROY-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP C[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891563 473470477 /nfs/dbraw/zinc/47/04/77/473470477.db2.gz PRKXVKUWPBCPAI-PWSUYJOCSA-N 2 2 342.237 2.774 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891563 473470481 /nfs/dbraw/zinc/47/04/81/473470481.db2.gz PRKXVKUWPBCPAI-PWSUYJOCSA-N 2 2 342.237 2.774 20 5 EFBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000194066376 473836902 /nfs/dbraw/zinc/83/69/02/473836902.db2.gz YLBYNYSZTYMVPE-WBMJQRKESA-N 2 2 345.359 2.783 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000194066376 473836907 /nfs/dbraw/zinc/83/69/07/473836907.db2.gz YLBYNYSZTYMVPE-WBMJQRKESA-N 2 2 345.359 2.783 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884122 474514994 /nfs/dbraw/zinc/51/49/94/474514994.db2.gz AYTVBXJXYHAUNJ-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884122 474514998 /nfs/dbraw/zinc/51/49/98/474514998.db2.gz AYTVBXJXYHAUNJ-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114247 474695723 /nfs/dbraw/zinc/69/57/23/474695723.db2.gz HFZVWLOFUNWKGF-JKSUJKDBSA-N 2 2 335.448 2.647 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152699 474703847 /nfs/dbraw/zinc/70/38/47/474703847.db2.gz UQKBHRYPVNTXMA-NVXWUHKLSA-N 2 2 335.448 2.647 20 5 EFBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154136 474706985 /nfs/dbraw/zinc/70/69/85/474706985.db2.gz VEIJFRYGTQOART-QWHCGFSZSA-N 2 2 349.456 2.896 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997014 475118502 /nfs/dbraw/zinc/11/85/02/475118502.db2.gz IECIESUDJFTJQL-JEBQAFNWSA-N 2 2 329.444 2.988 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997014 475118507 /nfs/dbraw/zinc/11/85/07/475118507.db2.gz IECIESUDJFTJQL-JEBQAFNWSA-N 2 2 329.444 2.988 20 5 EFBDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296166801 475213315 /nfs/dbraw/zinc/21/33/15/475213315.db2.gz WXBMXYYYVJURMX-AWEZNQCLSA-N 2 2 349.431 2.663 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386474 480155754 /nfs/dbraw/zinc/15/57/54/480155754.db2.gz UQNPDDNUSASMCH-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386474 480155760 /nfs/dbraw/zinc/15/57/60/480155760.db2.gz UQNPDDNUSASMCH-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831334 475895021 /nfs/dbraw/zinc/89/50/21/475895021.db2.gz KTNNJIWZEUEEBQ-JKSUJKDBSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831334 475895024 /nfs/dbraw/zinc/89/50/24/475895024.db2.gz KTNNJIWZEUEEBQ-JKSUJKDBSA-N 2 2 345.399 2.793 20 5 EFBDLP CCC[N@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518017 476038987 /nfs/dbraw/zinc/03/89/87/476038987.db2.gz KBOZKJSGOJCNNW-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CCC[N@@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518017 476038997 /nfs/dbraw/zinc/03/89/97/476038997.db2.gz KBOZKJSGOJCNNW-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CC[NH+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520271 476043035 /nfs/dbraw/zinc/04/30/35/476043035.db2.gz NQZIGQPAGQDKPU-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377887828 476629616 /nfs/dbraw/zinc/62/96/16/476629616.db2.gz HAPZCXQTAIOYQA-ZDUSSCGKSA-N 2 2 330.388 2.717 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377887828 476629620 /nfs/dbraw/zinc/62/96/20/476629620.db2.gz HAPZCXQTAIOYQA-ZDUSSCGKSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000430214889 476783849 /nfs/dbraw/zinc/78/38/49/476783849.db2.gz ALFRUVGJDLHDMH-INIZCTEOSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000430214889 476783856 /nfs/dbraw/zinc/78/38/56/476783856.db2.gz ALFRUVGJDLHDMH-INIZCTEOSA-N 2 2 329.356 2.652 20 5 EFBDLP CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000430943327 476944434 /nfs/dbraw/zinc/94/44/34/476944434.db2.gz HMUZBOYSBPXTJU-INIZCTEOSA-N 2 2 344.415 2.866 20 5 EFBDLP CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000430943327 476944438 /nfs/dbraw/zinc/94/44/38/476944438.db2.gz HMUZBOYSBPXTJU-INIZCTEOSA-N 2 2 344.415 2.866 20 5 EFBDLP CCCC[C@@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297787 476984536 /nfs/dbraw/zinc/98/45/36/476984536.db2.gz LWAPLKMILIUPDP-HOCLYGCPSA-N 2 2 331.420 2.525 20 5 EFBDLP CCCC[C@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297788 476985548 /nfs/dbraw/zinc/98/55/48/476985548.db2.gz LWAPLKMILIUPDP-ZBFHGGJFSA-N 2 2 331.420 2.525 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000447575088 477014953 /nfs/dbraw/zinc/01/49/53/477014953.db2.gz QFHFYVKADIOTBA-LSDHHAIUSA-N 2 2 344.419 2.762 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000366612335 477097110 /nfs/dbraw/zinc/09/71/10/477097110.db2.gz YTTAPDACHSYYFP-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000366612335 477097115 /nfs/dbraw/zinc/09/71/15/477097115.db2.gz YTTAPDACHSYYFP-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316311 477237438 /nfs/dbraw/zinc/23/74/38/477237438.db2.gz CRHFGLANERJBGN-NUEKZKHPSA-N 2 2 349.431 2.507 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316311 477237444 /nfs/dbraw/zinc/23/74/44/477237444.db2.gz CRHFGLANERJBGN-NUEKZKHPSA-N 2 2 349.431 2.507 20 5 EFBDLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469950 477339092 /nfs/dbraw/zinc/33/90/92/477339092.db2.gz HKWLWPSLEIIHCH-JFIYKMOQSA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469950 477339102 /nfs/dbraw/zinc/33/91/02/477339102.db2.gz HKWLWPSLEIIHCH-JFIYKMOQSA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469951 477339797 /nfs/dbraw/zinc/33/97/97/477339797.db2.gz HKWLWPSLEIIHCH-LZLYRXPVSA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469951 477339801 /nfs/dbraw/zinc/33/98/01/477339801.db2.gz HKWLWPSLEIIHCH-LZLYRXPVSA-N 2 2 333.432 2.587 20 5 EFBDLP COCC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413087701 477509732 /nfs/dbraw/zinc/50/97/32/477509732.db2.gz VMKPUDSXVYNOTB-UHFFFAOYSA-N 2 2 330.388 2.666 20 5 EFBDLP Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269231 477655532 /nfs/dbraw/zinc/65/55/32/477655532.db2.gz ZVSJNTAREAIBNU-LRDDRELGSA-N 2 2 341.415 2.924 20 5 EFBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)CC1 ZINC000420621575 477760422 /nfs/dbraw/zinc/76/04/22/477760422.db2.gz DGFAJSDVEILSDS-UHFFFAOYSA-N 2 2 346.475 2.900 20 5 EFBDLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)CC1 ZINC000420621575 477760424 /nfs/dbraw/zinc/76/04/24/477760424.db2.gz DGFAJSDVEILSDS-UHFFFAOYSA-N 2 2 346.475 2.900 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729647 478491593 /nfs/dbraw/zinc/49/15/93/478491593.db2.gz ZAHSWSPBLPFHDS-YPMHNXCESA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729647 478491597 /nfs/dbraw/zinc/49/15/97/478491597.db2.gz ZAHSWSPBLPFHDS-YPMHNXCESA-N 2 2 347.337 2.563 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446984 478555035 /nfs/dbraw/zinc/55/50/35/478555035.db2.gz HOCJXJNWBPQWHU-DLBZAZTESA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446984 478555040 /nfs/dbraw/zinc/55/50/40/478555040.db2.gz HOCJXJNWBPQWHU-DLBZAZTESA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491862855 478712536 /nfs/dbraw/zinc/71/25/36/478712536.db2.gz XLTYLWBQMXYOFU-AATRIKPKSA-N 2 2 335.323 2.827 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319663 478722702 /nfs/dbraw/zinc/72/27/02/478722702.db2.gz KNLUIBBDAUMEEQ-INIZCTEOSA-N 2 2 348.447 2.633 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319663 478722710 /nfs/dbraw/zinc/72/27/10/478722710.db2.gz KNLUIBBDAUMEEQ-INIZCTEOSA-N 2 2 348.447 2.633 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000565755280 479075246 /nfs/dbraw/zinc/07/52/46/479075246.db2.gz ISSXOKHJOJEKHR-HUUCEWRRSA-N 2 2 332.408 2.542 20 5 EFBDLP COCC[N@@H+]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039477 479135150 /nfs/dbraw/zinc/13/51/50/479135150.db2.gz IXIDBTUIHCQKEG-AWEZNQCLSA-N 2 2 330.388 2.666 20 5 EFBDLP COCC[N@H+]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039477 479135156 /nfs/dbraw/zinc/13/51/56/479135156.db2.gz IXIDBTUIHCQKEG-AWEZNQCLSA-N 2 2 330.388 2.666 20 5 EFBDLP COCC[N@@H+]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039478 479135243 /nfs/dbraw/zinc/13/52/43/479135243.db2.gz IXIDBTUIHCQKEG-CQSZACIVSA-N 2 2 330.388 2.666 20 5 EFBDLP COCC[N@H+]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039478 479135247 /nfs/dbraw/zinc/13/52/47/479135247.db2.gz IXIDBTUIHCQKEG-CQSZACIVSA-N 2 2 330.388 2.666 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274321 479333640 /nfs/dbraw/zinc/33/36/40/479333640.db2.gz KDXGYKBUXFRJPL-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274321 479333643 /nfs/dbraw/zinc/33/36/43/479333643.db2.gz KDXGYKBUXFRJPL-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383427 479363320 /nfs/dbraw/zinc/36/33/20/479363320.db2.gz KHIWOZKOOAOOIQ-HNAYVOBHSA-N 2 2 343.427 2.738 20 5 EFBDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383427 479363327 /nfs/dbraw/zinc/36/33/27/479363327.db2.gz KHIWOZKOOAOOIQ-HNAYVOBHSA-N 2 2 343.427 2.738 20 5 EFBDLP CC1CC[NH+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602505611 479371739 /nfs/dbraw/zinc/37/17/39/479371739.db2.gz ZRVNSXRWMBQEPX-UHFFFAOYSA-N 2 2 332.404 2.948 20 5 EFBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513015 479376435 /nfs/dbraw/zinc/37/64/35/479376435.db2.gz ZGBCFSBBNLPUFZ-MRVPVSSYSA-N 2 2 345.222 2.794 20 5 EFBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560943 479398205 /nfs/dbraw/zinc/39/82/05/479398205.db2.gz OHFGPPWQXOASKR-RKDXNWHRSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602560943 479398211 /nfs/dbraw/zinc/39/82/11/479398211.db2.gz OHFGPPWQXOASKR-RKDXNWHRSA-N 2 2 348.266 2.991 20 5 EFBDLP C[NH+](C)CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602614777 479424856 /nfs/dbraw/zinc/42/48/56/479424856.db2.gz DBYMGEXUFCIEIW-UHFFFAOYSA-N 2 2 332.404 2.948 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687939 479559786 /nfs/dbraw/zinc/55/97/86/479559786.db2.gz ZBDCVLYZLOGOCH-CYBMUJFWSA-N 2 2 336.411 2.623 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687939 479559791 /nfs/dbraw/zinc/55/97/91/479559791.db2.gz ZBDCVLYZLOGOCH-CYBMUJFWSA-N 2 2 336.411 2.623 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693962 522394532 /nfs/dbraw/zinc/39/45/32/522394532.db2.gz AZKLAYRJMSGDKB-UKRRQHHQSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693962 522394540 /nfs/dbraw/zinc/39/45/40/522394540.db2.gz AZKLAYRJMSGDKB-UKRRQHHQSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693962 522394550 /nfs/dbraw/zinc/39/45/50/522394550.db2.gz AZKLAYRJMSGDKB-UKRRQHHQSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693962 522394558 /nfs/dbraw/zinc/39/45/58/522394558.db2.gz AZKLAYRJMSGDKB-UKRRQHHQSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420366469 536813496 /nfs/dbraw/zinc/81/34/96/536813496.db2.gz RDMZJRTVZWTCML-CYBMUJFWSA-N 2 2 347.362 2.668 20 5 EFBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000761121542 576116876 /nfs/dbraw/zinc/11/68/76/576116876.db2.gz WBCZYXZAWQACHJ-KRWDZBQOSA-N 2 2 342.399 2.600 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026101 576538068 /nfs/dbraw/zinc/53/80/68/576538068.db2.gz QYXSNLLWIFKQBF-OAHLLOKOSA-N 2 2 343.431 2.628 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026101 576538072 /nfs/dbraw/zinc/53/80/72/576538072.db2.gz QYXSNLLWIFKQBF-OAHLLOKOSA-N 2 2 343.431 2.628 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039783 576539669 /nfs/dbraw/zinc/53/96/69/576539669.db2.gz SOMCXGXNHSDWNJ-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039783 576539671 /nfs/dbraw/zinc/53/96/71/576539671.db2.gz SOMCXGXNHSDWNJ-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102416 577006998 /nfs/dbraw/zinc/00/69/98/577006998.db2.gz DYWHEPMEIVJOMY-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102416 577007000 /nfs/dbraw/zinc/00/70/00/577007000.db2.gz DYWHEPMEIVJOMY-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102416 577007002 /nfs/dbraw/zinc/00/70/02/577007002.db2.gz DYWHEPMEIVJOMY-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102416 577007004 /nfs/dbraw/zinc/00/70/04/577007004.db2.gz DYWHEPMEIVJOMY-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499934 577278789 /nfs/dbraw/zinc/27/87/89/577278789.db2.gz NGJMOLCMMNLGGP-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499934 577278790 /nfs/dbraw/zinc/27/87/90/577278790.db2.gz NGJMOLCMMNLGGP-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499934 577278791 /nfs/dbraw/zinc/27/87/91/577278791.db2.gz NGJMOLCMMNLGGP-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499934 577278792 /nfs/dbraw/zinc/27/87/92/577278792.db2.gz NGJMOLCMMNLGGP-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001168983359 1272552574 /nfs/dbraw/zinc/55/25/74/1272552574.db2.gz JQVIDOKFPVUPCT-QYZOEREBSA-N 2 2 331.460 2.729 20 5 EFBDLP COc1ccc(C[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298275 1278980483 /nfs/dbraw/zinc/98/04/83/1278980483.db2.gz IAJMDMOPDYHCNZ-HNNXBMFYSA-N 2 2 343.427 2.995 20 5 EFBDLP COc1ccc(C[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298275 1278980502 /nfs/dbraw/zinc/98/05/02/1278980502.db2.gz IAJMDMOPDYHCNZ-HNNXBMFYSA-N 2 2 343.427 2.995 20 5 EFBDLP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001170347948 1279054438 /nfs/dbraw/zinc/05/44/38/1279054438.db2.gz TVHAEGPBGABICU-AWEZNQCLSA-N 2 2 335.448 2.951 20 5 EFBDLP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001170347948 1279054444 /nfs/dbraw/zinc/05/44/44/1279054444.db2.gz TVHAEGPBGABICU-AWEZNQCLSA-N 2 2 335.448 2.951 20 5 EFBDLP CN(CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH+](C)C ZINC000808781930 1281897837 /nfs/dbraw/zinc/89/78/37/1281897837.db2.gz YAGIATVVPNAFPS-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP CN(CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH+](C)C ZINC000808781930 1281897847 /nfs/dbraw/zinc/89/78/47/1281897847.db2.gz YAGIATVVPNAFPS-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174978 1286451551 /nfs/dbraw/zinc/45/15/51/1286451551.db2.gz HRMIIFVMWZMKMX-STQMWFEESA-N 2 2 339.411 2.747 20 5 EFBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174978 1286451554 /nfs/dbraw/zinc/45/15/54/1286451554.db2.gz HRMIIFVMWZMKMX-STQMWFEESA-N 2 2 339.411 2.747 20 5 EFBDLP COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001236350327 1313473308 /nfs/dbraw/zinc/47/33/08/1313473308.db2.gz RSLZUCBAKRMVNU-WOJBJXKFSA-N 2 2 334.419 2.925 20 5 EFBDLP COC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001236350327 1313473309 /nfs/dbraw/zinc/47/33/09/1313473309.db2.gz RSLZUCBAKRMVNU-WOJBJXKFSA-N 2 2 334.419 2.925 20 5 EFBDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705522 1303760539 /nfs/dbraw/zinc/76/05/39/1303760539.db2.gz BKNQNVFFYVYURQ-QGZVFWFLSA-N 2 2 332.404 2.933 20 5 EFBDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705522 1303760542 /nfs/dbraw/zinc/76/05/42/1303760542.db2.gz BKNQNVFFYVYURQ-QGZVFWFLSA-N 2 2 332.404 2.933 20 5 EFBDLP Cc1cc(Cl)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164216107 1312470842 /nfs/dbraw/zinc/47/08/42/1312470842.db2.gz SUKIYHWOSOOELR-UHFFFAOYSA-N 2 2 340.855 2.995 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906489 1314706465 /nfs/dbraw/zinc/70/64/65/1314706465.db2.gz BWTCKQCPIXQKQP-YVEFUNNKSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906489 1314706468 /nfs/dbraw/zinc/70/64/68/1314706468.db2.gz BWTCKQCPIXQKQP-YVEFUNNKSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906488 1314706984 /nfs/dbraw/zinc/70/69/84/1314706984.db2.gz BWTCKQCPIXQKQP-SJKOYZFVSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906488 1314706989 /nfs/dbraw/zinc/70/69/89/1314706989.db2.gz BWTCKQCPIXQKQP-SJKOYZFVSA-N 2 2 339.411 2.747 20 5 EFBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3cc[nH+]cc3)CC2)cc1 ZINC001254476101 1315707361 /nfs/dbraw/zinc/70/73/61/1315707361.db2.gz MADIEZKXIDIPRC-UHFFFAOYSA-N 2 2 342.399 2.627 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000893533929 716815861 /nfs/dbraw/zinc/81/58/61/716815861.db2.gz DMFFBAJZGMVDSF-CYBMUJFWSA-N 2 2 337.420 2.663 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478902 724155021 /nfs/dbraw/zinc/15/50/21/724155021.db2.gz HMQIYKFRHOTHJJ-AWEZNQCLSA-N 2 2 349.431 2.521 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478902 724155025 /nfs/dbraw/zinc/15/50/25/724155025.db2.gz HMQIYKFRHOTHJJ-AWEZNQCLSA-N 2 2 349.431 2.521 20 5 EFBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589465 295864257 /nfs/dbraw/zinc/86/42/57/295864257.db2.gz XVFZUDDZWJYBAD-KSSFIOAISA-N 2 2 333.432 2.673 20 5 EFBDLP Cc1nc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000183775855 235222850 /nfs/dbraw/zinc/22/28/50/235222850.db2.gz CHRWPENOHBITDX-CYBMUJFWSA-N 2 2 327.388 2.576 20 5 EFBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236841757 242378985 /nfs/dbraw/zinc/37/89/85/242378985.db2.gz HKZGGRJMYDMZRZ-KRWDZBQOSA-N 2 2 343.431 2.569 20 5 EFBDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236841757 242378992 /nfs/dbraw/zinc/37/89/92/242378992.db2.gz HKZGGRJMYDMZRZ-KRWDZBQOSA-N 2 2 343.431 2.569 20 5 EFBDLP Cc1cc(NC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413355874 243634274 /nfs/dbraw/zinc/63/42/74/243634274.db2.gz IGAMWMFRAWYMAT-UHFFFAOYSA-N 2 2 329.404 2.534 20 5 EFBDLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]1 ZINC000414945039 244396785 /nfs/dbraw/zinc/39/67/85/244396785.db2.gz PPZPBLBYKXDCMY-GOSISDBHSA-N 2 2 345.399 2.713 20 5 EFBDLP COc1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430574253 247802661 /nfs/dbraw/zinc/80/26/61/247802661.db2.gz SDCXSGFGPDVGGI-OAHLLOKOSA-N 2 2 347.362 2.668 20 5 EFBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378768 248233232 /nfs/dbraw/zinc/23/32/32/248233232.db2.gz GHZRLVMZVMJNIF-LBPRGKRZSA-N 2 2 332.429 2.760 20 5 EFBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378768 248233233 /nfs/dbraw/zinc/23/32/33/248233233.db2.gz GHZRLVMZVMJNIF-LBPRGKRZSA-N 2 2 332.429 2.760 20 5 EFBDLP Cc1ncsc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000435428432 248239065 /nfs/dbraw/zinc/23/90/65/248239065.db2.gz QXCHQWULKHLPAL-HNNXBMFYSA-N 2 2 346.456 2.971 20 5 EFBDLP Cc1ncsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000435428432 248239067 /nfs/dbraw/zinc/23/90/67/248239067.db2.gz QXCHQWULKHLPAL-HNNXBMFYSA-N 2 2 346.456 2.971 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000344916294 533408776 /nfs/dbraw/zinc/40/87/76/533408776.db2.gz VPNWLMNMWNRBBC-AAGJOFLKSA-N 2 2 333.432 2.556 20 5 EFBDLP CC(C)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000352973703 146363682 /nfs/dbraw/zinc/36/36/82/146363682.db2.gz WQTPEIMLDNIVJL-UHFFFAOYSA-N 2 2 335.448 2.655 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713163 267241509 /nfs/dbraw/zinc/24/15/09/267241509.db2.gz ITVQSGPEDSYLOE-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713163 267241512 /nfs/dbraw/zinc/24/15/12/267241512.db2.gz ITVQSGPEDSYLOE-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP O=[N+]([O-])c1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178874068 273041651 /nfs/dbraw/zinc/04/16/51/273041651.db2.gz ZRBZLJUHLHYEHK-UHFFFAOYSA-N 2 2 347.338 2.731 20 5 EFBDLP C[NH+](CCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685528 274052680 /nfs/dbraw/zinc/05/26/80/274052680.db2.gz OEXDVMCGQFZSJP-GOSISDBHSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685528 274052681 /nfs/dbraw/zinc/05/26/81/274052681.db2.gz OEXDVMCGQFZSJP-GOSISDBHSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285685528 274052683 /nfs/dbraw/zinc/05/26/83/274052683.db2.gz OEXDVMCGQFZSJP-GOSISDBHSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285685528 274052684 /nfs/dbraw/zinc/05/26/84/274052684.db2.gz OEXDVMCGQFZSJP-GOSISDBHSA-N 2 2 347.415 2.675 20 5 EFBDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565132 276104788 /nfs/dbraw/zinc/10/47/88/276104788.db2.gz IXQRTDNKDBHGSL-HZPDHXFCSA-N 2 2 349.479 2.987 20 5 EFBDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565132 276104790 /nfs/dbraw/zinc/10/47/90/276104790.db2.gz IXQRTDNKDBHGSL-HZPDHXFCSA-N 2 2 349.479 2.987 20 5 EFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531654 276157701 /nfs/dbraw/zinc/15/77/01/276157701.db2.gz SCBCXZMELHOREX-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531654 276157702 /nfs/dbraw/zinc/15/77/02/276157702.db2.gz SCBCXZMELHOREX-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131888533 293212251 /nfs/dbraw/zinc/21/22/51/293212251.db2.gz YFNWSUJBSZQKBF-KRWDZBQOSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414829248 312055137 /nfs/dbraw/zinc/05/51/37/312055137.db2.gz NNSGCXSQQUEPDV-LBPRGKRZSA-N 2 2 332.429 2.808 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414903667 312060359 /nfs/dbraw/zinc/06/03/59/312060359.db2.gz KIAQVLYVMSCGLA-CYBMUJFWSA-N 2 2 332.429 2.950 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)c1 ZINC000415071699 312087953 /nfs/dbraw/zinc/08/79/53/312087953.db2.gz UICIKMXQBCQGDX-UHFFFAOYSA-N 2 2 332.429 2.950 20 5 EFBDLP C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118622 312097368 /nfs/dbraw/zinc/09/73/68/312097368.db2.gz DTLYFLQSGYOIGR-JQWIXIFHSA-N 2 2 329.347 2.613 20 5 EFBDLP C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118622 312097369 /nfs/dbraw/zinc/09/73/69/312097369.db2.gz DTLYFLQSGYOIGR-JQWIXIFHSA-N 2 2 329.347 2.613 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531931490 317334159 /nfs/dbraw/zinc/33/41/59/317334159.db2.gz OMUAXRBRAYHNPC-WBVHZDCISA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531931490 317334161 /nfs/dbraw/zinc/33/41/61/317334161.db2.gz OMUAXRBRAYHNPC-WBVHZDCISA-N 2 2 335.448 2.911 20 5 EFBDLP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000569072523 319344531 /nfs/dbraw/zinc/34/45/31/319344531.db2.gz BERNVZLFRLCVIW-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244935 320188522 /nfs/dbraw/zinc/18/85/22/320188522.db2.gz VIBWQTCXDLIHIC-MWLCHTKSSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244935 320188525 /nfs/dbraw/zinc/18/85/25/320188525.db2.gz VIBWQTCXDLIHIC-MWLCHTKSSA-N 2 2 345.346 2.516 20 5 EFBDLP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436154 320206028 /nfs/dbraw/zinc/20/60/28/320206028.db2.gz CMNGGDDODBKRCN-HNNXBMFYSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436154 320206030 /nfs/dbraw/zinc/20/60/30/320206030.db2.gz CMNGGDDODBKRCN-HNNXBMFYSA-N 2 2 346.431 2.530 20 5 EFBDLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000424337348 477374547 /nfs/dbraw/zinc/37/45/47/477374547.db2.gz RLKXCTVJFDWQRI-GHMZBOCLSA-N 2 2 345.346 2.564 20 5 EFBDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000075716933 472187808 /nfs/dbraw/zinc/18/78/08/472187808.db2.gz MYNLBFXUQYXOKA-CQSZACIVSA-N 2 2 342.399 2.882 20 5 EFBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047006 472586245 /nfs/dbraw/zinc/58/62/45/472586245.db2.gz SWFJXDLTEBNPIO-MAUKXSAKSA-N 2 2 347.459 2.616 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725456 472708668 /nfs/dbraw/zinc/70/86/68/472708668.db2.gz NIRSKPDRYHAAPC-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725456 472708675 /nfs/dbraw/zinc/70/86/75/472708675.db2.gz NIRSKPDRYHAAPC-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725456 472708680 /nfs/dbraw/zinc/70/86/80/472708680.db2.gz NIRSKPDRYHAAPC-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725456 472708686 /nfs/dbraw/zinc/70/86/86/472708686.db2.gz NIRSKPDRYHAAPC-HOCLYGCPSA-N 2 2 348.447 2.728 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157626884 472840857 /nfs/dbraw/zinc/84/08/57/472840857.db2.gz GSAMGQGXRXDYNU-ZWKOTPCHSA-N 2 2 329.444 2.990 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157626884 472840866 /nfs/dbraw/zinc/84/08/66/472840866.db2.gz GSAMGQGXRXDYNU-ZWKOTPCHSA-N 2 2 329.444 2.990 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566575 473159073 /nfs/dbraw/zinc/15/90/73/473159073.db2.gz HAGUXFSHPZSZOU-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566575 473159077 /nfs/dbraw/zinc/15/90/77/473159077.db2.gz HAGUXFSHPZSZOU-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330592 473492173 /nfs/dbraw/zinc/49/21/73/473492173.db2.gz MCVWTFANVXWQQF-JKSUJKDBSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330592 473492178 /nfs/dbraw/zinc/49/21/78/473492178.db2.gz MCVWTFANVXWQQF-JKSUJKDBSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329792 473492221 /nfs/dbraw/zinc/49/22/21/473492221.db2.gz LRDXTICJSQMVLE-NVXWUHKLSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329792 473492228 /nfs/dbraw/zinc/49/22/28/473492228.db2.gz LRDXTICJSQMVLE-NVXWUHKLSA-N 2 2 335.448 2.911 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245439069 473699131 /nfs/dbraw/zinc/69/91/31/473699131.db2.gz FQFOLTSYNILHOE-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245439069 473699137 /nfs/dbraw/zinc/69/91/37/473699137.db2.gz FQFOLTSYNILHOE-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245439069 473699141 /nfs/dbraw/zinc/69/91/41/473699141.db2.gz FQFOLTSYNILHOE-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245439069 473699147 /nfs/dbraw/zinc/69/91/47/473699147.db2.gz FQFOLTSYNILHOE-GDBMZVCRSA-N 2 2 348.447 2.728 20 5 EFBDLP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737946 473716813 /nfs/dbraw/zinc/71/68/13/473716813.db2.gz XLVLLPIXEBETEZ-SFHVURJKSA-N 2 2 333.432 2.673 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000274299731 473777022 /nfs/dbraw/zinc/77/70/22/473777022.db2.gz JGPYNNCYWJXVPL-NSHDSACASA-N 2 2 334.351 2.845 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000274299731 473777029 /nfs/dbraw/zinc/77/70/29/473777029.db2.gz JGPYNNCYWJXVPL-NSHDSACASA-N 2 2 334.351 2.845 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000173619493 473893699 /nfs/dbraw/zinc/89/36/99/473893699.db2.gz KWIOXJDVYVFYHJ-CQSZACIVSA-N 2 2 348.447 2.693 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246684442 473933863 /nfs/dbraw/zinc/93/38/63/473933863.db2.gz WBTQXHSKUHDIMG-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246684442 473933866 /nfs/dbraw/zinc/93/38/66/473933866.db2.gz WBTQXHSKUHDIMG-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000237358963 474387736 /nfs/dbraw/zinc/38/77/36/474387736.db2.gz OZGMDJYKBMXCPO-NSHDSACASA-N 2 2 340.330 2.819 20 5 EFBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284037560 474556455 /nfs/dbraw/zinc/55/64/55/474556455.db2.gz ISZBXDDIFORUOB-UHFFFAOYSA-N 2 2 333.348 2.530 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114242 474695598 /nfs/dbraw/zinc/69/55/98/474695598.db2.gz HFZVWLOFUNWKGF-HOTGVXAUSA-N 2 2 335.448 2.647 20 5 EFBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154135 474706162 /nfs/dbraw/zinc/70/61/62/474706162.db2.gz VEIJFRYGTQOART-OLZOCXBDSA-N 2 2 349.456 2.896 20 5 EFBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528825 475033855 /nfs/dbraw/zinc/03/38/55/475033855.db2.gz HYKWJYRHMIOPAY-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528825 475033864 /nfs/dbraw/zinc/03/38/64/475033864.db2.gz HYKWJYRHMIOPAY-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP C[NH+](C)[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912817 475066038 /nfs/dbraw/zinc/06/60/38/475066038.db2.gz IEKCZOHFNSXURE-WMZOPIPTSA-N 2 2 349.500 2.943 20 5 EFBDLP CC[NH+](CC)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352432640 475291812 /nfs/dbraw/zinc/29/18/12/475291812.db2.gz UPAWZDZCYZGPSO-UHFFFAOYSA-N 2 2 329.404 2.536 20 5 EFBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722527 475391379 /nfs/dbraw/zinc/39/13/79/475391379.db2.gz KGIACPOCAOHDII-PMPSAXMXSA-N 2 2 335.452 2.597 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722527 475391382 /nfs/dbraw/zinc/39/13/82/475391382.db2.gz KGIACPOCAOHDII-PMPSAXMXSA-N 2 2 335.452 2.597 20 5 EFBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722525 475391595 /nfs/dbraw/zinc/39/15/95/475391595.db2.gz KGIACPOCAOHDII-OAGGEKHMSA-N 2 2 335.452 2.597 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722525 475391599 /nfs/dbraw/zinc/39/15/99/475391599.db2.gz KGIACPOCAOHDII-OAGGEKHMSA-N 2 2 335.452 2.597 20 5 EFBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352692121 475536543 /nfs/dbraw/zinc/53/65/43/475536543.db2.gz CSIVDMNBZKUDHG-UHFFFAOYSA-N 2 2 332.379 2.922 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000332440388 475638990 /nfs/dbraw/zinc/63/89/90/475638990.db2.gz IQHKCWCBFONRSD-CQSZACIVSA-N 2 2 329.404 2.520 20 5 EFBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000338221342 475685999 /nfs/dbraw/zinc/68/59/99/475685999.db2.gz MXGWXAYMTJSRGZ-UHFFFAOYSA-N 2 2 339.461 2.591 20 5 EFBDLP CC(C)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353345481 475889215 /nfs/dbraw/zinc/88/92/15/475889215.db2.gz CIHPLHZIWVBODV-UHFFFAOYSA-N 2 2 335.448 2.607 20 5 EFBDLP CC(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353345481 475889221 /nfs/dbraw/zinc/88/92/21/475889221.db2.gz CIHPLHZIWVBODV-UHFFFAOYSA-N 2 2 335.448 2.607 20 5 EFBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830015 475893752 /nfs/dbraw/zinc/89/37/52/475893752.db2.gz PCKDITRQJBWYCS-LERXQTSPSA-N 2 2 341.358 2.755 20 5 EFBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830015 475893756 /nfs/dbraw/zinc/89/37/56/475893756.db2.gz PCKDITRQJBWYCS-LERXQTSPSA-N 2 2 341.358 2.755 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066822 476578955 /nfs/dbraw/zinc/57/89/55/476578955.db2.gz PVAHRXKBRAIUJV-HIFRSBDPSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066822 476578958 /nfs/dbraw/zinc/57/89/58/476578958.db2.gz PVAHRXKBRAIUJV-HIFRSBDPSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374916803 476593106 /nfs/dbraw/zinc/59/31/06/476593106.db2.gz PSVYAQXTUKIVEP-WMZOPIPTSA-N 2 2 346.475 2.676 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000374916803 476593113 /nfs/dbraw/zinc/59/31/13/476593113.db2.gz PSVYAQXTUKIVEP-WMZOPIPTSA-N 2 2 346.475 2.676 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422710814 476738436 /nfs/dbraw/zinc/73/84/36/476738436.db2.gz GDJALHZTVROAEM-DYVFJYSZSA-N 2 2 329.400 2.652 20 5 EFBDLP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430543284 476850125 /nfs/dbraw/zinc/85/01/25/476850125.db2.gz MBOLUAXDAGHRLA-UHFFFAOYSA-N 2 2 347.362 2.622 20 5 EFBDLP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430543284 476850129 /nfs/dbraw/zinc/85/01/29/476850129.db2.gz MBOLUAXDAGHRLA-UHFFFAOYSA-N 2 2 347.362 2.622 20 5 EFBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947069 476895029 /nfs/dbraw/zinc/89/50/29/476895029.db2.gz KJJWGODSZODPPM-AAEUAGOBSA-N 2 2 332.429 2.948 20 5 EFBDLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413161370 477547402 /nfs/dbraw/zinc/54/74/02/477547402.db2.gz NIZFVWFBVWYOQN-UHFFFAOYSA-N 2 2 325.372 2.962 20 5 EFBDLP Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439658711 478013695 /nfs/dbraw/zinc/01/36/95/478013695.db2.gz PLIJLIYUDUUVRC-HOTGVXAUSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436554 478550720 /nfs/dbraw/zinc/55/07/20/478550720.db2.gz BSQLNJSFEUHZRJ-CJNGLKHVSA-N 2 2 339.399 2.548 20 5 EFBDLP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436557 478550964 /nfs/dbraw/zinc/55/09/64/478550964.db2.gz BSQLNJSFEUHZRJ-XJKSGUPXSA-N 2 2 339.399 2.548 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446987 478555668 /nfs/dbraw/zinc/55/56/68/478555668.db2.gz HOCJXJNWBPQWHU-IRXDYDNUSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446987 478555673 /nfs/dbraw/zinc/55/56/73/478555673.db2.gz HOCJXJNWBPQWHU-IRXDYDNUSA-N 2 2 346.431 2.530 20 5 EFBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056410 478643620 /nfs/dbraw/zinc/64/36/20/478643620.db2.gz HBUUZVQFCHOYAI-KKUMJFAQSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056410 478643624 /nfs/dbraw/zinc/64/36/24/478643624.db2.gz HBUUZVQFCHOYAI-KKUMJFAQSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056412 478644183 /nfs/dbraw/zinc/64/41/83/478644183.db2.gz HBUUZVQFCHOYAI-SOUVJXGZSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056412 478644184 /nfs/dbraw/zinc/64/41/84/478644184.db2.gz HBUUZVQFCHOYAI-SOUVJXGZSA-N 2 2 335.452 2.737 20 5 EFBDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000595512809 478828974 /nfs/dbraw/zinc/82/89/74/478828974.db2.gz ZAUMIXBFKKOGIY-HNNXBMFYSA-N 2 2 335.448 2.728 20 5 EFBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000583560193 478880142 /nfs/dbraw/zinc/88/01/42/478880142.db2.gz YYVZGOTXKOXDBP-OAHLLOKOSA-N 2 2 348.447 2.633 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778439 478917818 /nfs/dbraw/zinc/91/78/18/478917818.db2.gz IQZAWIIHYFLLTB-HNNXBMFYSA-N 2 2 335.448 2.789 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778440 478918656 /nfs/dbraw/zinc/91/86/56/478918656.db2.gz IQZAWIIHYFLLTB-OAHLLOKOSA-N 2 2 335.448 2.789 20 5 EFBDLP Cc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601981784 479109276 /nfs/dbraw/zinc/10/92/76/479109276.db2.gz YHQRAFGJUJLACC-GOEBONIOSA-N 2 2 339.399 2.548 20 5 EFBDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383425 479363384 /nfs/dbraw/zinc/36/33/84/479363384.db2.gz KHIWOZKOOAOOIQ-BEFAXECRSA-N 2 2 343.427 2.738 20 5 EFBDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383425 479363392 /nfs/dbraw/zinc/36/33/92/479363392.db2.gz KHIWOZKOOAOOIQ-BEFAXECRSA-N 2 2 343.427 2.738 20 5 EFBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547869 479393106 /nfs/dbraw/zinc/39/31/06/479393106.db2.gz JWKVGUPAXCFRNL-VIFPVBQESA-N 2 2 348.266 2.850 20 5 EFBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547869 479393110 /nfs/dbraw/zinc/39/31/10/479393110.db2.gz JWKVGUPAXCFRNL-VIFPVBQESA-N 2 2 348.266 2.850 20 5 EFBDLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733363 479438021 /nfs/dbraw/zinc/43/80/21/479438021.db2.gz LWSDGMRJMXOKNJ-IUODEOHRSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733363 479438027 /nfs/dbraw/zinc/43/80/27/479438027.db2.gz LWSDGMRJMXOKNJ-IUODEOHRSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420548 480301098 /nfs/dbraw/zinc/30/10/98/480301098.db2.gz PDHUQVXGONFXSQ-KSSFIOAISA-N 2 2 333.432 2.889 20 5 EFBDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420547 480301326 /nfs/dbraw/zinc/30/13/26/480301326.db2.gz PDHUQVXGONFXSQ-KDOFPFPSSA-N 2 2 333.432 2.889 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129640589 534034763 /nfs/dbraw/zinc/03/47/63/534034763.db2.gz NPUJQBVMCJZASI-PBHICJAKSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129640589 534034767 /nfs/dbraw/zinc/03/47/67/534034767.db2.gz NPUJQBVMCJZASI-PBHICJAKSA-N 2 2 330.388 2.753 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693960 522392775 /nfs/dbraw/zinc/39/27/75/522392775.db2.gz AZKLAYRJMSGDKB-DZGCQCFKSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693960 522392790 /nfs/dbraw/zinc/39/27/90/522392790.db2.gz AZKLAYRJMSGDKB-DZGCQCFKSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693960 522392799 /nfs/dbraw/zinc/39/27/99/522392799.db2.gz AZKLAYRJMSGDKB-DZGCQCFKSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693960 522392810 /nfs/dbraw/zinc/39/28/10/522392810.db2.gz AZKLAYRJMSGDKB-DZGCQCFKSA-N 2 2 349.431 2.528 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987170 524657961 /nfs/dbraw/zinc/65/79/61/524657961.db2.gz LVKINALBSVWZPQ-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987170 524657964 /nfs/dbraw/zinc/65/79/64/524657964.db2.gz LVKINALBSVWZPQ-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041420 524659633 /nfs/dbraw/zinc/65/96/33/524659633.db2.gz SGVBLXWESYXOIG-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041420 524659639 /nfs/dbraw/zinc/65/96/39/524659639.db2.gz SGVBLXWESYXOIG-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000754250550 575410723 /nfs/dbraw/zinc/41/07/23/575410723.db2.gz JJFIGRAPDONKSU-GOSISDBHSA-N 2 2 338.367 2.604 20 5 EFBDLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996049 1272573674 /nfs/dbraw/zinc/57/36/74/1272573674.db2.gz UMNAMUKKMZGKFK-WMZOPIPTSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccc(C[C@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170334537 1279025931 /nfs/dbraw/zinc/02/59/31/1279025931.db2.gz GLHAZLDXJBBPDT-LBPRGKRZSA-N 2 2 344.415 2.600 20 5 EFBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140570 1294725466 /nfs/dbraw/zinc/72/54/66/1294725466.db2.gz KMBIBUJPXGOZMU-YJBOKZPZSA-N 2 2 340.427 2.990 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140570 1294725472 /nfs/dbraw/zinc/72/54/72/1294725472.db2.gz KMBIBUJPXGOZMU-YJBOKZPZSA-N 2 2 340.427 2.990 20 5 EFBDLP COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001236350324 1313473291 /nfs/dbraw/zinc/47/32/91/1313473291.db2.gz RSLZUCBAKRMVNU-PMACEKPBSA-N 2 2 334.419 2.925 20 5 EFBDLP COC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001236350324 1313473293 /nfs/dbraw/zinc/47/32/93/1313473293.db2.gz RSLZUCBAKRMVNU-PMACEKPBSA-N 2 2 334.419 2.925 20 5 EFBDLP C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564954 1311689300 /nfs/dbraw/zinc/68/93/00/1311689300.db2.gz IQHICPWLXOTDHR-INIZCTEOSA-N 2 2 341.479 2.508 20 5 EFBDLP C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564954 1311689302 /nfs/dbraw/zinc/68/93/02/1311689302.db2.gz IQHICPWLXOTDHR-INIZCTEOSA-N 2 2 341.479 2.508 20 5 EFBDLP C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164207021 1312468138 /nfs/dbraw/zinc/46/81/38/1312468138.db2.gz PZJGQOBXYGIJIN-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC001246508177 1314639942 /nfs/dbraw/zinc/63/99/42/1314639942.db2.gz QRDRTLPQNKTQNW-CXAGYDPISA-N 2 2 329.400 2.824 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001254583714 1315727433 /nfs/dbraw/zinc/72/74/33/1315727433.db2.gz CWGGGKVSOMIAOY-ROUUACIJSA-N 2 2 329.444 2.916 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001254583714 1315727436 /nfs/dbraw/zinc/72/74/36/1315727436.db2.gz CWGGGKVSOMIAOY-ROUUACIJSA-N 2 2 329.444 2.916 20 5 EFBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001321818485 1329410253 /nfs/dbraw/zinc/41/02/53/1329410253.db2.gz IVFLHNNHRKKLRG-UHFFFAOYSA-N 2 2 337.339 2.665 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397534 1331342963 /nfs/dbraw/zinc/34/29/63/1331342963.db2.gz OXZNFZABXFARJS-GDBMZVCRSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397534 1331342971 /nfs/dbraw/zinc/34/29/71/1331342971.db2.gz OXZNFZABXFARJS-GDBMZVCRSA-N 2 2 346.431 2.530 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338492 1333066298 /nfs/dbraw/zinc/06/62/98/1333066298.db2.gz NSCLHTBUOJTGKA-UHFFFAOYSA-N 2 2 347.459 2.945 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478903 724154798 /nfs/dbraw/zinc/15/47/98/724154798.db2.gz HMQIYKFRHOTHJJ-CQSZACIVSA-N 2 2 349.431 2.521 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478903 724154803 /nfs/dbraw/zinc/15/48/03/724154803.db2.gz HMQIYKFRHOTHJJ-CQSZACIVSA-N 2 2 349.431 2.521 20 5 EFBDLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892800715 719196719 /nfs/dbraw/zinc/19/67/19/719196719.db2.gz IHRFUWBRPBRFIB-UHFFFAOYSA-N 2 2 341.839 2.839 20 5 EFBDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000066793801 719374792 /nfs/dbraw/zinc/37/47/92/719374792.db2.gz JLTLWLGVGMTTJZ-UHFFFAOYSA-N 2 2 343.431 2.593 20 5 EFBDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000066793801 719374794 /nfs/dbraw/zinc/37/47/94/719374794.db2.gz JLTLWLGVGMTTJZ-UHFFFAOYSA-N 2 2 343.431 2.593 20 5 EFBDLP C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806895 1089469598 /nfs/dbraw/zinc/46/95/98/1089469598.db2.gz KSHDHNUEZJQRPR-DTWKUNHWSA-N 2 2 348.266 2.836 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806895 1089469602 /nfs/dbraw/zinc/46/96/02/1089469602.db2.gz KSHDHNUEZJQRPR-DTWKUNHWSA-N 2 2 348.266 2.836 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005931 214112624 /nfs/dbraw/zinc/11/26/24/214112624.db2.gz NJZWHYVAEVHSHP-UHFFFAOYSA-N 2 2 333.432 2.924 20 5 EFBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000075142013 216579024 /nfs/dbraw/zinc/57/90/24/216579024.db2.gz HKXMKJDZPDSAOB-GFCCVEGCSA-N 2 2 343.387 2.525 20 5 EFBDLP [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCCC1 ZINC000414629563 244261831 /nfs/dbraw/zinc/26/18/31/244261831.db2.gz QSJKSUSIPSYXQN-UHFFFAOYSA-N 2 2 340.343 2.559 20 5 EFBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874022 244379152 /nfs/dbraw/zinc/37/91/52/244379152.db2.gz AMFWNBHLNNSGHE-OALUTQOASA-N 2 2 341.411 2.839 20 5 EFBDLP CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435624172 249391265 /nfs/dbraw/zinc/39/12/65/249391265.db2.gz DWBOZHCUPXEALP-CQSZACIVSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435624172 249391268 /nfs/dbraw/zinc/39/12/68/249391268.db2.gz DWBOZHCUPXEALP-CQSZACIVSA-N 2 2 345.403 2.609 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597549 218234473 /nfs/dbraw/zinc/23/44/73/218234473.db2.gz DWJYBAYVYSYROY-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597549 218234475 /nfs/dbraw/zinc/23/44/75/218234475.db2.gz DWJYBAYVYSYROY-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000344916297 533408424 /nfs/dbraw/zinc/40/84/24/533408424.db2.gz VPNWLMNMWNRBBC-KMPOOHAWSA-N 2 2 333.432 2.556 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000344855914 533408744 /nfs/dbraw/zinc/40/87/44/533408744.db2.gz LDBNYKJUDBGPNX-STTHAQSSSA-N 2 2 333.432 2.699 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000159016945 533567440 /nfs/dbraw/zinc/56/74/40/533567440.db2.gz QLBWLWZICNVXRE-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000159016945 533567443 /nfs/dbraw/zinc/56/74/43/533567443.db2.gz QLBWLWZICNVXRE-BBRMVZONSA-N 2 2 330.388 2.883 20 5 EFBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663664 142057691 /nfs/dbraw/zinc/05/76/91/142057691.db2.gz IBSUTMMRLBAVKB-ZYHUDNBSSA-N 2 2 329.347 2.769 20 5 EFBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000344663664 142057692 /nfs/dbraw/zinc/05/76/92/142057692.db2.gz IBSUTMMRLBAVKB-ZYHUDNBSSA-N 2 2 329.347 2.769 20 5 EFBDLP Cc1[nH+]c2ccccn2c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348898186 146021631 /nfs/dbraw/zinc/02/16/31/146021631.db2.gz XHRHWYSDWVZNNY-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368828879 150215483 /nfs/dbraw/zinc/21/54/83/150215483.db2.gz GXHHXOMNFUHGRG-CHWSQXEVSA-N 2 2 341.358 2.913 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368828879 150215488 /nfs/dbraw/zinc/21/54/88/150215488.db2.gz GXHHXOMNFUHGRG-CHWSQXEVSA-N 2 2 341.358 2.913 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368828883 150216078 /nfs/dbraw/zinc/21/60/78/150216078.db2.gz GXHHXOMNFUHGRG-STQMWFEESA-N 2 2 341.358 2.913 20 5 EFBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368828883 150216079 /nfs/dbraw/zinc/21/60/79/150216079.db2.gz GXHHXOMNFUHGRG-STQMWFEESA-N 2 2 341.358 2.913 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233480 151138314 /nfs/dbraw/zinc/13/83/14/151138314.db2.gz VXQQOFYNHMTUMZ-ZDUSSCGKSA-N 2 2 345.359 2.616 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233480 151138316 /nfs/dbraw/zinc/13/83/16/151138316.db2.gz VXQQOFYNHMTUMZ-ZDUSSCGKSA-N 2 2 345.359 2.616 20 5 EFBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378980 286263476 /nfs/dbraw/zinc/26/34/76/286263476.db2.gz KUWBLHXAGQIABA-GFCCVEGCSA-N 2 2 331.372 2.787 20 5 EFBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378980 286263478 /nfs/dbraw/zinc/26/34/78/286263478.db2.gz KUWBLHXAGQIABA-GFCCVEGCSA-N 2 2 331.372 2.787 20 5 EFBDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000378623624 152129693 /nfs/dbraw/zinc/12/96/93/152129693.db2.gz NLEFXPOPMINLRU-GFCCVEGCSA-N 2 2 340.387 2.673 20 5 EFBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199303 544571116 /nfs/dbraw/zinc/57/11/16/544571116.db2.gz KJJZFNMGTBUDCZ-QWHCGFSZSA-N 2 2 345.403 2.589 20 5 EFBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199303 544571122 /nfs/dbraw/zinc/57/11/22/544571122.db2.gz KJJZFNMGTBUDCZ-QWHCGFSZSA-N 2 2 345.403 2.589 20 5 EFBDLP CCC[N@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506342 266287761 /nfs/dbraw/zinc/28/77/61/266287761.db2.gz IFBVTPBYHYKVOR-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CCC[N@@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506342 266287762 /nfs/dbraw/zinc/28/77/62/266287762.db2.gz IFBVTPBYHYKVOR-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CC(C)[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532020 266296457 /nfs/dbraw/zinc/29/64/57/266296457.db2.gz NHXWPSYROMHDFF-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CC(C)[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532020 266296461 /nfs/dbraw/zinc/29/64/61/266296461.db2.gz NHXWPSYROMHDFF-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612045 267211898 /nfs/dbraw/zinc/21/18/98/267211898.db2.gz AUUSWTNCLRVRJS-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612045 267211901 /nfs/dbraw/zinc/21/19/01/267211901.db2.gz AUUSWTNCLRVRJS-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269670809 273088249 /nfs/dbraw/zinc/08/82/49/273088249.db2.gz REHBISFXRPDTBE-UHFFFAOYSA-N 2 2 346.475 2.585 20 5 EFBDLP C[NH+](CCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685529 274052642 /nfs/dbraw/zinc/05/26/42/274052642.db2.gz OEXDVMCGQFZSJP-SFHVURJKSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685529 274052643 /nfs/dbraw/zinc/05/26/43/274052643.db2.gz OEXDVMCGQFZSJP-SFHVURJKSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285685529 274052645 /nfs/dbraw/zinc/05/26/45/274052645.db2.gz OEXDVMCGQFZSJP-SFHVURJKSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285685529 274052647 /nfs/dbraw/zinc/05/26/47/274052647.db2.gz OEXDVMCGQFZSJP-SFHVURJKSA-N 2 2 347.415 2.675 20 5 EFBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000286176192 274147775 /nfs/dbraw/zinc/14/77/75/274147775.db2.gz JBHZBNYPMKXYRN-UHFFFAOYSA-N 2 2 336.411 2.704 20 5 EFBDLP C[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413156849 274492482 /nfs/dbraw/zinc/49/24/82/274492482.db2.gz SOIRVDKKMCCAHT-CYBMUJFWSA-N 2 2 330.388 2.523 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183778837 274763373 /nfs/dbraw/zinc/76/33/73/274763373.db2.gz UTRCOMKUULUSOW-CQSZACIVSA-N 2 2 341.415 2.885 20 5 EFBDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565130 276105007 /nfs/dbraw/zinc/10/50/07/276105007.db2.gz IXQRTDNKDBHGSL-CVEARBPZSA-N 2 2 349.479 2.987 20 5 EFBDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565130 276105008 /nfs/dbraw/zinc/10/50/08/276105008.db2.gz IXQRTDNKDBHGSL-CVEARBPZSA-N 2 2 349.479 2.987 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000131725599 293206545 /nfs/dbraw/zinc/20/65/45/293206545.db2.gz ZWRDOMWMEWTKSE-AWEZNQCLSA-N 2 2 340.339 2.784 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000131725599 293206549 /nfs/dbraw/zinc/20/65/49/293206549.db2.gz ZWRDOMWMEWTKSE-AWEZNQCLSA-N 2 2 340.339 2.784 20 5 EFBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000290370469 294069453 /nfs/dbraw/zinc/06/94/53/294069453.db2.gz HKYSXUHUVDMFCD-UHFFFAOYSA-N 2 2 348.403 2.639 20 5 EFBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000290370469 294069456 /nfs/dbraw/zinc/06/94/56/294069456.db2.gz HKYSXUHUVDMFCD-UHFFFAOYSA-N 2 2 348.403 2.639 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000447544475 298782355 /nfs/dbraw/zinc/78/23/55/298782355.db2.gz VPCLBNFMLIRLSA-ZACQAIPSSA-N 2 2 349.479 2.985 20 5 EFBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000415032531 312080168 /nfs/dbraw/zinc/08/01/68/312080168.db2.gz HNLFRRQQCKUSPM-HWWDLCQESA-N 2 2 343.358 2.834 20 5 EFBDLP CCc1cc(NC[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489017814 313536319 /nfs/dbraw/zinc/53/63/19/313536319.db2.gz UOWOLOZBVQHPGF-CYBMUJFWSA-N 2 2 343.431 2.646 20 5 EFBDLP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000569072527 319344634 /nfs/dbraw/zinc/34/46/34/319344634.db2.gz BERNVZLFRLCVIW-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436155 320205915 /nfs/dbraw/zinc/20/59/15/320205915.db2.gz CMNGGDDODBKRCN-OAHLLOKOSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436155 320205918 /nfs/dbraw/zinc/20/59/18/320205918.db2.gz CMNGGDDODBKRCN-OAHLLOKOSA-N 2 2 346.431 2.530 20 5 EFBDLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000125237196 473379757 /nfs/dbraw/zinc/37/97/57/473379757.db2.gz SNUUHVMXKFBZMI-UHFFFAOYSA-N 2 2 337.420 2.528 20 5 EFBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000125237196 473379762 /nfs/dbraw/zinc/37/97/62/473379762.db2.gz SNUUHVMXKFBZMI-UHFFFAOYSA-N 2 2 337.420 2.528 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836551 472203618 /nfs/dbraw/zinc/20/36/18/472203618.db2.gz VJKMRWJUIXFJHU-MRXNPFEDSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836551 472203625 /nfs/dbraw/zinc/20/36/25/472203625.db2.gz VJKMRWJUIXFJHU-MRXNPFEDSA-N 2 2 333.432 2.911 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710731 472406937 /nfs/dbraw/zinc/40/69/37/472406937.db2.gz OPAGDFKZMXJAAN-UHFFFAOYSA-N 2 2 326.400 2.744 20 5 EFBDLP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000090910222 472664236 /nfs/dbraw/zinc/66/42/36/472664236.db2.gz OXXGSNZLKPOIKZ-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000104716830 472687931 /nfs/dbraw/zinc/68/79/31/472687931.db2.gz HRSYYXJBPKOCOQ-UHFFFAOYSA-N 2 2 342.399 2.629 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156369624 472697865 /nfs/dbraw/zinc/69/78/65/472697865.db2.gz SOXYIKBFRKTFPL-HNNXBMFYSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156369624 472697871 /nfs/dbraw/zinc/69/78/71/472697871.db2.gz SOXYIKBFRKTFPL-HNNXBMFYSA-N 2 2 329.356 2.522 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665792 473170998 /nfs/dbraw/zinc/17/09/98/473170998.db2.gz JTGDZCBSMHXQTO-MRXNPFEDSA-N 2 2 328.416 2.826 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665792 473171005 /nfs/dbraw/zinc/17/10/05/473171005.db2.gz JTGDZCBSMHXQTO-MRXNPFEDSA-N 2 2 328.416 2.826 20 5 EFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151155894 473417951 /nfs/dbraw/zinc/41/79/51/473417951.db2.gz JGLNJGPRKKBWOV-UHFFFAOYSA-N 2 2 332.791 2.965 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330620 473492289 /nfs/dbraw/zinc/49/22/89/473492289.db2.gz MCVWTFANVXWQQF-HOTGVXAUSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330620 473492293 /nfs/dbraw/zinc/49/22/93/473492293.db2.gz MCVWTFANVXWQQF-HOTGVXAUSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330606 473493030 /nfs/dbraw/zinc/49/30/30/473493030.db2.gz MCVWTFANVXWQQF-CVEARBPZSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330606 473493035 /nfs/dbraw/zinc/49/30/35/473493035.db2.gz MCVWTFANVXWQQF-CVEARBPZSA-N 2 2 335.448 2.911 20 5 EFBDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331155 473493363 /nfs/dbraw/zinc/49/33/63/473493363.db2.gz PCUDECDIVNUQEI-ROUUACIJSA-N 2 2 335.448 2.992 20 5 EFBDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331155 473493369 /nfs/dbraw/zinc/49/33/69/473493369.db2.gz PCUDECDIVNUQEI-ROUUACIJSA-N 2 2 335.448 2.992 20 5 EFBDLP Cc1cc[nH+]c(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000166208064 473522665 /nfs/dbraw/zinc/52/26/65/473522665.db2.gz CKUNQLXSPKTHGO-UHFFFAOYSA-N 2 2 326.400 2.663 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245448990 473703128 /nfs/dbraw/zinc/70/31/28/473703128.db2.gz NIRSKPDRYHAAPC-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245448990 473703136 /nfs/dbraw/zinc/70/31/36/473703136.db2.gz NIRSKPDRYHAAPC-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245448990 473703143 /nfs/dbraw/zinc/70/31/43/473703143.db2.gz NIRSKPDRYHAAPC-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245448990 473703150 /nfs/dbraw/zinc/70/31/50/473703150.db2.gz NIRSKPDRYHAAPC-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000192884617 473742086 /nfs/dbraw/zinc/74/20/86/473742086.db2.gz MBEXJAJTXVCAPB-KBXCAEBGSA-N 2 2 333.432 2.530 20 5 EFBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413770 473872341 /nfs/dbraw/zinc/87/23/41/473872341.db2.gz DOKXDFLCLHNTBS-WBVHZDCISA-N 2 2 335.448 2.821 20 5 EFBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413770 473872347 /nfs/dbraw/zinc/87/23/47/473872347.db2.gz DOKXDFLCLHNTBS-WBVHZDCISA-N 2 2 335.448 2.821 20 5 EFBDLP O=[N+]([O-])c1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000188962749 474246555 /nfs/dbraw/zinc/24/65/55/474246555.db2.gz ZBJKXBAICNLIRY-UHFFFAOYSA-N 2 2 332.448 2.593 20 5 EFBDLP COc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000352400206 475257896 /nfs/dbraw/zinc/25/78/96/475257896.db2.gz PXQTZKJJZDMCGZ-UHFFFAOYSA-N 2 2 344.415 2.792 20 5 EFBDLP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339685749 475409175 /nfs/dbraw/zinc/40/91/75/475409175.db2.gz GWXJXIXCCFTLMR-AWEZNQCLSA-N 2 2 341.415 2.748 20 5 EFBDLP Cc1ccc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c[nH+]1 ZINC000355154422 475703881 /nfs/dbraw/zinc/70/38/81/475703881.db2.gz KQUCPVCZLCQLSO-UHFFFAOYSA-N 2 2 329.404 2.764 20 5 EFBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831330 475894278 /nfs/dbraw/zinc/89/42/78/475894278.db2.gz KTNNJIWZEUEEBQ-HOTGVXAUSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831330 475894286 /nfs/dbraw/zinc/89/42/86/475894286.db2.gz KTNNJIWZEUEEBQ-HOTGVXAUSA-N 2 2 345.399 2.793 20 5 EFBDLP CC[C@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496551 476020483 /nfs/dbraw/zinc/02/04/83/476020483.db2.gz MLOCKONTXJJZQI-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496551 476020490 /nfs/dbraw/zinc/02/04/90/476020490.db2.gz MLOCKONTXJJZQI-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501594 476026068 /nfs/dbraw/zinc/02/60/68/476026068.db2.gz ZVCXHAPRSFAHFD-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501594 476026074 /nfs/dbraw/zinc/02/60/74/476026074.db2.gz ZVCXHAPRSFAHFD-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365618275 476648154 /nfs/dbraw/zinc/64/81/54/476648154.db2.gz ABKGLHXELMOCQP-ZDUSSCGKSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365618275 476648157 /nfs/dbraw/zinc/64/81/57/476648157.db2.gz ABKGLHXELMOCQP-ZDUSSCGKSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000430243859 476791096 /nfs/dbraw/zinc/79/10/96/476791096.db2.gz WCLXBFDJTNBQDS-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000430243859 476791099 /nfs/dbraw/zinc/79/10/99/476791099.db2.gz WCLXBFDJTNBQDS-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430243859 476791101 /nfs/dbraw/zinc/79/11/01/476791101.db2.gz WCLXBFDJTNBQDS-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000430243859 476791106 /nfs/dbraw/zinc/79/11/06/476791106.db2.gz WCLXBFDJTNBQDS-HNNXBMFYSA-N 2 2 333.432 2.767 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578747 476867627 /nfs/dbraw/zinc/86/76/27/476867627.db2.gz BHYVNLMYTUMCJV-UONOGXRCSA-N 2 2 336.436 2.535 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578747 476867630 /nfs/dbraw/zinc/86/76/30/476867630.db2.gz BHYVNLMYTUMCJV-UONOGXRCSA-N 2 2 336.436 2.535 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000447537911 477008157 /nfs/dbraw/zinc/00/81/57/477008157.db2.gz ZJUHQFWEIROTJK-QBPKDAKJSA-N 2 2 349.479 2.985 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000447537911 477008165 /nfs/dbraw/zinc/00/81/65/477008165.db2.gz ZJUHQFWEIROTJK-QBPKDAKJSA-N 2 2 349.479 2.985 20 5 EFBDLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447545810 477009482 /nfs/dbraw/zinc/00/94/82/477009482.db2.gz YFGJSMKPHOOGOQ-BZUAXINKSA-N 2 2 337.468 2.841 20 5 EFBDLP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447545812 477009672 /nfs/dbraw/zinc/00/96/72/477009672.db2.gz YFGJSMKPHOOGOQ-OWCLPIDISA-N 2 2 337.468 2.841 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000447544287 477009710 /nfs/dbraw/zinc/00/97/10/477009710.db2.gz VPCLBNFMLIRLSA-BRWVUGGUSA-N 2 2 349.479 2.985 20 5 EFBDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565131 477013468 /nfs/dbraw/zinc/01/34/68/477013468.db2.gz IXQRTDNKDBHGSL-HOTGVXAUSA-N 2 2 349.479 2.987 20 5 EFBDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565131 477013480 /nfs/dbraw/zinc/01/34/80/477013480.db2.gz IXQRTDNKDBHGSL-HOTGVXAUSA-N 2 2 349.479 2.987 20 5 EFBDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583790 477017837 /nfs/dbraw/zinc/01/78/37/477017837.db2.gz CILHLBNYWJKZGX-HZPDHXFCSA-N 2 2 329.404 2.811 20 5 EFBDLP COC[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411866 477025595 /nfs/dbraw/zinc/02/55/95/477025595.db2.gz GMMLXVPEJDFSMF-AEFFLSMTSA-N 2 2 333.432 2.675 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263878 477202330 /nfs/dbraw/zinc/20/23/30/477202330.db2.gz UKXPGFCKPDPGCF-ZWKOTPCHSA-N 2 2 335.448 2.872 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263878 477202334 /nfs/dbraw/zinc/20/23/34/477202334.db2.gz UKXPGFCKPDPGCF-ZWKOTPCHSA-N 2 2 335.448 2.872 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449071145 477422065 /nfs/dbraw/zinc/42/20/65/477422065.db2.gz AIVLCRYYFSQTOP-AWEZNQCLSA-N 2 2 328.416 2.891 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000449265543 477515673 /nfs/dbraw/zinc/51/56/73/477515673.db2.gz SBRUFKKRENKZSX-SIIHOXLZSA-N 2 2 344.415 2.769 20 5 EFBDLP CCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420239534 477645664 /nfs/dbraw/zinc/64/56/64/477645664.db2.gz PKWWBPBPXRQYNL-HIFRSBDPSA-N 2 2 341.415 2.718 20 5 EFBDLP Cc1cc(N2CCC[C@@H](CC[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245633 477647647 /nfs/dbraw/zinc/64/76/47/477647647.db2.gz RDCQQXQAFZTVOX-AWEZNQCLSA-N 2 2 341.415 2.925 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534859844 478175316 /nfs/dbraw/zinc/17/53/16/478175316.db2.gz BQGMLUNGLSLIQS-UHFFFAOYSA-N 2 2 342.399 2.945 20 5 EFBDLP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230649 478202976 /nfs/dbraw/zinc/20/29/76/478202976.db2.gz UFGJHMHXRXNQEP-AWEZNQCLSA-N 2 2 343.431 2.924 20 5 EFBDLP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230649 478202979 /nfs/dbraw/zinc/20/29/79/478202979.db2.gz UFGJHMHXRXNQEP-AWEZNQCLSA-N 2 2 343.431 2.924 20 5 EFBDLP CCc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000520103669 478275805 /nfs/dbraw/zinc/27/58/05/478275805.db2.gz CPMOGPWPVFPZHV-CYBMUJFWSA-N 2 2 343.431 2.788 20 5 EFBDLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496606 478411496 /nfs/dbraw/zinc/41/14/96/478411496.db2.gz PNHGJTWDJWGQSA-ZWKOTPCHSA-N 2 2 333.432 2.889 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498788 478412310 /nfs/dbraw/zinc/41/23/10/478412310.db2.gz LIHNPIPELGLGGL-WMLDXEAASA-N 2 2 333.432 2.807 20 5 EFBDLP Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724100 478488595 /nfs/dbraw/zinc/48/85/95/478488595.db2.gz FMCKKTMGOMIXNN-STQMWFEESA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724100 478488598 /nfs/dbraw/zinc/48/85/98/478488598.db2.gz FMCKKTMGOMIXNN-STQMWFEESA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724099 478488808 /nfs/dbraw/zinc/48/88/08/478488808.db2.gz FMCKKTMGOMIXNN-QWHCGFSZSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724099 478488812 /nfs/dbraw/zinc/48/88/12/478488812.db2.gz FMCKKTMGOMIXNN-QWHCGFSZSA-N 2 2 331.338 2.862 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727017 478490289 /nfs/dbraw/zinc/49/02/89/478490289.db2.gz NVMQZXQCKXOMHH-NEPJUHHUSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727017 478490296 /nfs/dbraw/zinc/49/02/96/478490296.db2.gz NVMQZXQCKXOMHH-NEPJUHHUSA-N 2 2 347.337 2.563 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447017 478555402 /nfs/dbraw/zinc/55/54/02/478555402.db2.gz WPALINLMSOQWFZ-ZBFHGGJFSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447017 478555409 /nfs/dbraw/zinc/55/54/09/478555409.db2.gz WPALINLMSOQWFZ-ZBFHGGJFSA-N 2 2 346.431 2.530 20 5 EFBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056857 478643508 /nfs/dbraw/zinc/64/35/08/478643508.db2.gz RTOFWJFIYGILJJ-HIFRSBDPSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056857 478643513 /nfs/dbraw/zinc/64/35/13/478643513.db2.gz RTOFWJFIYGILJJ-HIFRSBDPSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595099918 478658837 /nfs/dbraw/zinc/65/88/37/478658837.db2.gz GPTBLHYMFNPBEE-YJBOKZPZSA-N 2 2 347.459 2.759 20 5 EFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595099917 478659905 /nfs/dbraw/zinc/65/99/05/478659905.db2.gz GPTBLHYMFNPBEE-QAPCUYQASA-N 2 2 347.459 2.759 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595100798 478660591 /nfs/dbraw/zinc/66/05/91/478660591.db2.gz JAOFEKWVYUNTRG-BBRMVZONSA-N 2 2 349.431 2.507 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595106586 478662422 /nfs/dbraw/zinc/66/24/22/478662422.db2.gz VOXMCGRVZYFKQW-YOEHRIQHSA-N 2 2 333.432 2.807 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595106584 478662562 /nfs/dbraw/zinc/66/25/62/478662562.db2.gz VOXMCGRVZYFKQW-RHSMWYFYSA-N 2 2 333.432 2.807 20 5 EFBDLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119634 478667673 /nfs/dbraw/zinc/66/76/73/478667673.db2.gz UXHFVFONVMEODR-UHFFFAOYSA-N 2 2 325.372 2.962 20 5 EFBDLP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000572625996 478883233 /nfs/dbraw/zinc/88/32/33/478883233.db2.gz BGHFJAFPOFOCHQ-AWEZNQCLSA-N 2 2 343.431 2.923 20 5 EFBDLP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000572625996 478883242 /nfs/dbraw/zinc/88/32/42/478883242.db2.gz BGHFJAFPOFOCHQ-AWEZNQCLSA-N 2 2 343.431 2.923 20 5 EFBDLP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000592431576 478893726 /nfs/dbraw/zinc/89/37/26/478893726.db2.gz KQLOMYNGMBOIHK-UHFFFAOYSA-N 2 2 345.346 2.518 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565373407 478992532 /nfs/dbraw/zinc/99/25/32/478992532.db2.gz VBCZCESZNTWYMC-VDNIUXDYSA-N 2 2 345.443 2.795 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565373407 478992541 /nfs/dbraw/zinc/99/25/41/478992541.db2.gz VBCZCESZNTWYMC-VDNIUXDYSA-N 2 2 345.443 2.795 20 5 EFBDLP Cc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601983228 479110364 /nfs/dbraw/zinc/11/03/64/479110364.db2.gz LZNYOHOLEWMFKN-HNNXBMFYSA-N 2 2 327.388 2.534 20 5 EFBDLP O=[N+]([O-])c1sc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000602502942 479370900 /nfs/dbraw/zinc/37/09/00/479370900.db2.gz JGCIJWVDNWHDEK-UHFFFAOYSA-N 2 2 345.222 2.795 20 5 EFBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547863 479392097 /nfs/dbraw/zinc/39/20/97/479392097.db2.gz JWKVGUPAXCFRNL-SECBINFHSA-N 2 2 348.266 2.850 20 5 EFBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547863 479392101 /nfs/dbraw/zinc/39/21/01/479392101.db2.gz JWKVGUPAXCFRNL-SECBINFHSA-N 2 2 348.266 2.850 20 5 EFBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560940 479397707 /nfs/dbraw/zinc/39/77/07/479397707.db2.gz OHFGPPWQXOASKR-BDAKNGLRSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602560940 479397711 /nfs/dbraw/zinc/39/77/11/479397711.db2.gz OHFGPPWQXOASKR-BDAKNGLRSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733936 479437413 /nfs/dbraw/zinc/43/74/13/479437413.db2.gz OOXVVXVBAYXOSJ-DOMZBBRYSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733936 479437419 /nfs/dbraw/zinc/43/74/19/479437419.db2.gz OOXVVXVBAYXOSJ-DOMZBBRYSA-N 2 2 345.403 2.594 20 5 EFBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665433 479460183 /nfs/dbraw/zinc/46/01/83/479460183.db2.gz JHSAVIJRYKBQDB-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665433 479460188 /nfs/dbraw/zinc/46/01/88/479460188.db2.gz JHSAVIJRYKBQDB-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665433 479460197 /nfs/dbraw/zinc/46/01/97/479460197.db2.gz JHSAVIJRYKBQDB-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665433 479460202 /nfs/dbraw/zinc/46/02/02/479460202.db2.gz JHSAVIJRYKBQDB-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191649 479615887 /nfs/dbraw/zinc/61/58/87/479615887.db2.gz BBUHFYWFPCWIKE-QGZVFWFLSA-N 2 2 330.388 2.654 20 5 EFBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191649 479615893 /nfs/dbraw/zinc/61/58/93/479615893.db2.gz BBUHFYWFPCWIKE-QGZVFWFLSA-N 2 2 330.388 2.654 20 5 EFBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191649 479615899 /nfs/dbraw/zinc/61/58/99/479615899.db2.gz BBUHFYWFPCWIKE-QGZVFWFLSA-N 2 2 330.388 2.654 20 5 EFBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191649 479615903 /nfs/dbraw/zinc/61/59/03/479615903.db2.gz BBUHFYWFPCWIKE-QGZVFWFLSA-N 2 2 330.388 2.654 20 5 EFBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191646 479616175 /nfs/dbraw/zinc/61/61/75/479616175.db2.gz BBUHFYWFPCWIKE-KRWDZBQOSA-N 2 2 330.388 2.654 20 5 EFBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191646 479616177 /nfs/dbraw/zinc/61/61/77/479616177.db2.gz BBUHFYWFPCWIKE-KRWDZBQOSA-N 2 2 330.388 2.654 20 5 EFBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191646 479616182 /nfs/dbraw/zinc/61/61/82/479616182.db2.gz BBUHFYWFPCWIKE-KRWDZBQOSA-N 2 2 330.388 2.654 20 5 EFBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191646 479616191 /nfs/dbraw/zinc/61/61/91/479616191.db2.gz BBUHFYWFPCWIKE-KRWDZBQOSA-N 2 2 330.388 2.654 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000597248568 479643119 /nfs/dbraw/zinc/64/31/19/479643119.db2.gz AONIOUCAWASZLS-NTCAYCPXSA-N 2 2 341.415 2.554 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237796 533825012 /nfs/dbraw/zinc/82/50/12/533825012.db2.gz OMMJXWMDIGMASD-DOMZBBRYSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237796 533825015 /nfs/dbraw/zinc/82/50/15/533825015.db2.gz OMMJXWMDIGMASD-DOMZBBRYSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237796 533825022 /nfs/dbraw/zinc/82/50/22/533825022.db2.gz OMMJXWMDIGMASD-DOMZBBRYSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237796 533825024 /nfs/dbraw/zinc/82/50/24/533825024.db2.gz OMMJXWMDIGMASD-DOMZBBRYSA-N 2 2 337.395 2.659 20 5 EFBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920685 524400373 /nfs/dbraw/zinc/40/03/73/524400373.db2.gz PXVOORNDVKHZQC-IRXDYDNUSA-N 2 2 346.475 2.585 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004359 527442697 /nfs/dbraw/zinc/44/26/97/527442697.db2.gz DKLZLPYHEYFPQH-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004359 527442704 /nfs/dbraw/zinc/44/27/04/527442704.db2.gz DKLZLPYHEYFPQH-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003486 527444497 /nfs/dbraw/zinc/44/44/97/527444497.db2.gz JZOQZIIONZNGTJ-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003486 527444504 /nfs/dbraw/zinc/44/45/04/527444504.db2.gz JZOQZIIONZNGTJ-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267091 577129293 /nfs/dbraw/zinc/12/92/93/577129293.db2.gz DVKXLANKRXDFGX-OAHLLOKOSA-N 2 2 332.448 2.638 20 5 EFBDLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267091 577129294 /nfs/dbraw/zinc/12/92/94/577129294.db2.gz DVKXLANKRXDFGX-OAHLLOKOSA-N 2 2 332.448 2.638 20 5 EFBDLP CC[N@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000770685136 581125615 /nfs/dbraw/zinc/12/56/15/581125615.db2.gz KEZQUDCOQQKETO-UHFFFAOYSA-N 2 2 335.452 2.583 20 5 EFBDLP CC[N@@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000770685136 581125617 /nfs/dbraw/zinc/12/56/17/581125617.db2.gz KEZQUDCOQQKETO-UHFFFAOYSA-N 2 2 335.452 2.583 20 5 EFBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557872 1250536000 /nfs/dbraw/zinc/53/60/00/1250536000.db2.gz ZOKHJZMOYWOPCL-MRXNPFEDSA-N 2 2 332.448 2.638 20 5 EFBDLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557872 1250536005 /nfs/dbraw/zinc/53/60/05/1250536005.db2.gz ZOKHJZMOYWOPCL-MRXNPFEDSA-N 2 2 332.448 2.638 20 5 EFBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001168741306 1267700247 /nfs/dbraw/zinc/70/02/47/1267700247.db2.gz WSHPWWQIVXNBPS-UHFFFAOYSA-N 2 2 339.399 2.856 20 5 EFBDLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967520 1272558998 /nfs/dbraw/zinc/55/89/98/1272558998.db2.gz QIANFVRWSGOTMR-WMZOPIPTSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996046 1272573505 /nfs/dbraw/zinc/57/35/05/1272573505.db2.gz UMNAMUKKMZGKFK-AEFFLSMTSA-N 2 2 347.459 2.695 20 5 EFBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025752 1272621448 /nfs/dbraw/zinc/62/14/48/1272621448.db2.gz UTFUHWNZPNVFMJ-ARFHVFGLSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025752 1272621453 /nfs/dbraw/zinc/62/14/53/1272621453.db2.gz UTFUHWNZPNVFMJ-ARFHVFGLSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025752 1272621469 /nfs/dbraw/zinc/62/14/69/1272621469.db2.gz UTFUHWNZPNVFMJ-ARFHVFGLSA-N 2 2 349.479 2.545 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577484 1276230361 /nfs/dbraw/zinc/23/03/61/1276230361.db2.gz ONGBNKINZAYTTL-RKVPGOIHSA-N 2 2 345.443 2.770 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577484 1276230366 /nfs/dbraw/zinc/23/03/66/1276230366.db2.gz ONGBNKINZAYTTL-RKVPGOIHSA-N 2 2 345.443 2.770 20 5 EFBDLP COc1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170356061 1279035744 /nfs/dbraw/zinc/03/57/44/1279035744.db2.gz VRTPGMQDLGNEDO-AWEZNQCLSA-N 2 2 333.432 2.705 20 5 EFBDLP Cc1[nH+]c2c(n1-c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC[NH2+]CC2 ZINC001165351822 1312613987 /nfs/dbraw/zinc/61/39/87/1312613987.db2.gz KVAKIUZENCTHIM-UHFFFAOYSA-N 2 2 337.383 2.634 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331325 1314612015 /nfs/dbraw/zinc/61/20/15/1314612015.db2.gz OJOZYAJJCWULPL-XHDPSFHLSA-N 2 2 339.411 2.651 20 5 EFBDLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584672 1314652596 /nfs/dbraw/zinc/65/25/96/1314652596.db2.gz YIEBAFKDIUDIES-AEFFLSMTSA-N 2 2 335.423 2.995 20 5 EFBDLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584672 1314652599 /nfs/dbraw/zinc/65/25/99/1314652599.db2.gz YIEBAFKDIUDIES-AEFFLSMTSA-N 2 2 335.423 2.995 20 5 EFBDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480429 1315707941 /nfs/dbraw/zinc/70/79/41/1315707941.db2.gz GCEQTVANBFFWLM-HNAYVOBHSA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480429 1315707942 /nfs/dbraw/zinc/70/79/42/1315707942.db2.gz GCEQTVANBFFWLM-HNAYVOBHSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480429 1315707944 /nfs/dbraw/zinc/70/79/44/1315707944.db2.gz GCEQTVANBFFWLM-HNAYVOBHSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480429 1315707945 /nfs/dbraw/zinc/70/79/45/1315707945.db2.gz GCEQTVANBFFWLM-HNAYVOBHSA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480433 1315708251 /nfs/dbraw/zinc/70/82/51/1315708251.db2.gz GCEQTVANBFFWLM-KXBFYZLASA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480433 1315708254 /nfs/dbraw/zinc/70/82/54/1315708254.db2.gz GCEQTVANBFFWLM-KXBFYZLASA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480433 1315708258 /nfs/dbraw/zinc/70/82/58/1315708258.db2.gz GCEQTVANBFFWLM-KXBFYZLASA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480433 1315708260 /nfs/dbraw/zinc/70/82/60/1315708260.db2.gz GCEQTVANBFFWLM-KXBFYZLASA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480428 1315708441 /nfs/dbraw/zinc/70/84/41/1315708441.db2.gz GCEQTVANBFFWLM-DNVCBOLYSA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480428 1315708443 /nfs/dbraw/zinc/70/84/43/1315708443.db2.gz GCEQTVANBFFWLM-DNVCBOLYSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480428 1315708445 /nfs/dbraw/zinc/70/84/45/1315708445.db2.gz GCEQTVANBFFWLM-DNVCBOLYSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480428 1315708447 /nfs/dbraw/zinc/70/84/47/1315708447.db2.gz GCEQTVANBFFWLM-DNVCBOLYSA-N 2 2 344.459 2.590 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001254546048 1315722120 /nfs/dbraw/zinc/72/21/20/1315722120.db2.gz FFQSGBWZNVBVJX-CRAIPNDOSA-N 2 2 347.459 2.616 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001254546048 1315722121 /nfs/dbraw/zinc/72/21/21/1315722121.db2.gz FFQSGBWZNVBVJX-CRAIPNDOSA-N 2 2 347.459 2.616 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001254583783 1315727532 /nfs/dbraw/zinc/72/75/32/1315727532.db2.gz ODEHJVLBSJGTCV-IBGZPJMESA-N 2 2 337.423 2.784 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254604626 1315729849 /nfs/dbraw/zinc/72/98/49/1315729849.db2.gz WXIQEDDSQANYAQ-LJQANCHMSA-N 2 2 347.434 2.960 20 5 EFBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])[nH+]1 ZINC001331255118 1330810324 /nfs/dbraw/zinc/81/03/24/1330810324.db2.gz SUAVPMBJVTUENC-HNNXBMFYSA-N 2 2 327.388 2.770 20 5 EFBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])[nH+]1 ZINC001331255118 1330810330 /nfs/dbraw/zinc/81/03/30/1330810330.db2.gz SUAVPMBJVTUENC-HNNXBMFYSA-N 2 2 327.388 2.770 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001355265190 1334726673 /nfs/dbraw/zinc/72/66/73/1334726673.db2.gz REVGACPECGRRTI-UHFFFAOYSA-N 2 2 349.431 2.806 20 5 EFBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568482 1335054532 /nfs/dbraw/zinc/05/45/32/1335054532.db2.gz DPTWWIWEDRTECQ-HZPDHXFCSA-N 2 2 332.404 2.529 20 5 EFBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568479 1335054883 /nfs/dbraw/zinc/05/48/83/1335054883.db2.gz DPTWWIWEDRTECQ-HOTGVXAUSA-N 2 2 332.404 2.529 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121263939 715210377 /nfs/dbraw/zinc/21/03/77/715210377.db2.gz ROENDKRKBRNJLM-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121263939 715210378 /nfs/dbraw/zinc/21/03/78/715210378.db2.gz ROENDKRKBRNJLM-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121263939 715210380 /nfs/dbraw/zinc/21/03/80/715210380.db2.gz ROENDKRKBRNJLM-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121263939 715210382 /nfs/dbraw/zinc/21/03/82/715210382.db2.gz ROENDKRKBRNJLM-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892448629 717516521 /nfs/dbraw/zinc/51/65/21/717516521.db2.gz COYLBKOHKBDHMS-CYBMUJFWSA-N 2 2 337.420 2.663 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892448629 717516525 /nfs/dbraw/zinc/51/65/25/717516525.db2.gz COYLBKOHKBDHMS-CYBMUJFWSA-N 2 2 337.420 2.663 20 5 EFBDLP CC1(C)CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000898034886 1106206213 /nfs/dbraw/zinc/20/62/13/1106206213.db2.gz ADSSQHPNFLOKLT-UHFFFAOYSA-N 2 2 346.475 2.885 20 5 EFBDLP CC1(C)CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000898034886 1106206219 /nfs/dbraw/zinc/20/62/19/1106206219.db2.gz ADSSQHPNFLOKLT-UHFFFAOYSA-N 2 2 346.475 2.885 20 5 EFBDLP CN(c1ccccc1)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904449862 1107948238 /nfs/dbraw/zinc/94/82/38/1107948238.db2.gz MDIZVWYZPLJNQE-UHFFFAOYSA-N 2 2 326.400 2.944 20 5 EFBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000160115309 529982903 /nfs/dbraw/zinc/98/29/03/529982903.db2.gz FKZPGCOUBINAML-CYBMUJFWSA-N 2 2 328.210 2.526 20 5 EFBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000160115309 529982904 /nfs/dbraw/zinc/98/29/04/529982904.db2.gz FKZPGCOUBINAML-CYBMUJFWSA-N 2 2 328.210 2.526 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414849143 244370786 /nfs/dbraw/zinc/37/07/86/244370786.db2.gz QSSVCKDMTKDPEF-GFCCVEGCSA-N 2 2 331.372 2.705 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414849144 244370835 /nfs/dbraw/zinc/37/08/35/244370835.db2.gz QSSVCKDMTKDPEF-LBPRGKRZSA-N 2 2 331.372 2.705 20 5 EFBDLP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950159 246521896 /nfs/dbraw/zinc/52/18/96/246521896.db2.gz XFIPHKZQIBIENC-CZUORRHYSA-N 2 2 329.400 2.652 20 5 EFBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372766 248232664 /nfs/dbraw/zinc/23/26/64/248232664.db2.gz SKKOVKIOBRSZRQ-RYUDHWBXSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372766 248232667 /nfs/dbraw/zinc/23/26/67/248232667.db2.gz SKKOVKIOBRSZRQ-RYUDHWBXSA-N 2 2 332.429 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435385000 248233783 /nfs/dbraw/zinc/23/37/83/248233783.db2.gz PEKMCCDWSMMBIO-DAXOMENPSA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435385000 248233785 /nfs/dbraw/zinc/23/37/85/248233785.db2.gz PEKMCCDWSMMBIO-DAXOMENPSA-N 2 2 344.440 2.887 20 5 EFBDLP CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435629155 249390780 /nfs/dbraw/zinc/39/07/80/249390780.db2.gz WTPZSXCDMZTGTH-CQSZACIVSA-N 2 2 345.403 2.609 20 5 EFBDLP CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435629155 249390784 /nfs/dbraw/zinc/39/07/84/249390784.db2.gz WTPZSXCDMZTGTH-CQSZACIVSA-N 2 2 345.403 2.609 20 5 EFBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000267377013 251000015 /nfs/dbraw/zinc/00/00/15/251000015.db2.gz AHLBCWJOCWRIRJ-ZDUSSCGKSA-N 2 2 346.387 2.585 20 5 EFBDLP COc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000267377013 251000018 /nfs/dbraw/zinc/00/00/18/251000018.db2.gz AHLBCWJOCWRIRJ-ZDUSSCGKSA-N 2 2 346.387 2.585 20 5 EFBDLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847515 142281226 /nfs/dbraw/zinc/28/12/26/142281226.db2.gz GOMIQIOSBATOAZ-INIZCTEOSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847515 142281227 /nfs/dbraw/zinc/28/12/27/142281227.db2.gz GOMIQIOSBATOAZ-INIZCTEOSA-N 2 2 341.415 2.812 20 5 EFBDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000344117225 145372175 /nfs/dbraw/zinc/37/21/75/145372175.db2.gz BMLMJZBBAIAIMH-UHFFFAOYSA-N 2 2 340.493 2.506 20 5 EFBDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000344117225 145372178 /nfs/dbraw/zinc/37/21/78/145372178.db2.gz BMLMJZBBAIAIMH-UHFFFAOYSA-N 2 2 340.493 2.506 20 5 EFBDLP Cc1cc(NC2(C[NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359292738 148047318 /nfs/dbraw/zinc/04/73/18/148047318.db2.gz MPXHKTGSNLRHOQ-UHFFFAOYSA-N 2 2 341.415 2.678 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265127 150314824 /nfs/dbraw/zinc/31/48/24/150314824.db2.gz DUXHCTXCOPXZBH-LBPRGKRZSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265127 150314826 /nfs/dbraw/zinc/31/48/26/150314826.db2.gz DUXHCTXCOPXZBH-LBPRGKRZSA-N 2 2 338.839 2.829 20 5 EFBDLP CC[C@@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547083 266303609 /nfs/dbraw/zinc/30/36/09/266303609.db2.gz QLMOLQYCJLDMTB-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547083 266303612 /nfs/dbraw/zinc/30/36/12/266303612.db2.gz QLMOLQYCJLDMTB-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870486 267066005 /nfs/dbraw/zinc/06/60/05/267066005.db2.gz HNJKDRIWFRYMDZ-INIZCTEOSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870486 267066010 /nfs/dbraw/zinc/06/60/10/267066010.db2.gz HNJKDRIWFRYMDZ-INIZCTEOSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713166 267241121 /nfs/dbraw/zinc/24/11/21/267241121.db2.gz ITVQSGPEDSYLOE-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713166 267241122 /nfs/dbraw/zinc/24/11/22/267241122.db2.gz ITVQSGPEDSYLOE-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000178869742 273041627 /nfs/dbraw/zinc/04/16/27/273041627.db2.gz OBLFEUMLPIGBEV-UHFFFAOYSA-N 2 2 347.338 2.731 20 5 EFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531652 276157736 /nfs/dbraw/zinc/15/77/36/276157736.db2.gz SCBCXZMELHOREX-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531652 276157737 /nfs/dbraw/zinc/15/77/37/276157737.db2.gz SCBCXZMELHOREX-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589464 279264398 /nfs/dbraw/zinc/26/43/98/279264398.db2.gz XVFZUDDZWJYBAD-KDOFPFPSSA-N 2 2 333.432 2.673 20 5 EFBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153884091 293399223 /nfs/dbraw/zinc/39/92/23/293399223.db2.gz JNXFXNMOXXYPHD-CYBMUJFWSA-N 2 2 330.388 2.633 20 5 EFBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153884091 293399225 /nfs/dbraw/zinc/39/92/25/293399225.db2.gz JNXFXNMOXXYPHD-CYBMUJFWSA-N 2 2 330.388 2.633 20 5 EFBDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291020125 294249567 /nfs/dbraw/zinc/24/95/67/294249567.db2.gz ASHDCMUUXWGHOL-AWEZNQCLSA-N 2 2 349.431 2.663 20 5 EFBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623102 311398236 /nfs/dbraw/zinc/39/82/36/311398236.db2.gz RGNITBLBIKYKJQ-MJGOQNOKSA-N 2 2 347.459 2.655 20 5 EFBDLP C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414906459 312061034 /nfs/dbraw/zinc/06/10/34/312061034.db2.gz PSSITVONJSSUQY-OAHLLOKOSA-N 2 2 329.347 2.676 20 5 EFBDLP C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118621 312097374 /nfs/dbraw/zinc/09/73/74/312097374.db2.gz DTLYFLQSGYOIGR-CMPLNLGQSA-N 2 2 329.347 2.613 20 5 EFBDLP C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118621 312097375 /nfs/dbraw/zinc/09/73/75/312097375.db2.gz DTLYFLQSGYOIGR-CMPLNLGQSA-N 2 2 329.347 2.613 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000417313103 312207798 /nfs/dbraw/zinc/20/77/98/312207798.db2.gz OSKMBHGFSOPEAY-DNVCBOLYSA-N 2 2 347.459 2.920 20 5 EFBDLP C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000417313105 312207806 /nfs/dbraw/zinc/20/78/06/312207806.db2.gz OSKMBHGFSOPEAY-KXBFYZLASA-N 2 2 347.459 2.920 20 5 EFBDLP Cc1[nH+]cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1C ZINC000566020849 319024504 /nfs/dbraw/zinc/02/45/04/319024504.db2.gz GGENBVXJHYCSKS-UHFFFAOYSA-N 2 2 328.294 2.945 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179650 319146657 /nfs/dbraw/zinc/14/66/57/319146657.db2.gz NROSLARFTSWYTH-KRWDZBQOSA-N 2 2 333.432 2.590 20 5 EFBDLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179650 319146660 /nfs/dbraw/zinc/14/66/60/319146660.db2.gz NROSLARFTSWYTH-KRWDZBQOSA-N 2 2 333.432 2.590 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244936 320188580 /nfs/dbraw/zinc/18/85/80/320188580.db2.gz VIBWQTCXDLIHIC-ONGXEEELSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244936 320188582 /nfs/dbraw/zinc/18/85/82/320188582.db2.gz VIBWQTCXDLIHIC-ONGXEEELSA-N 2 2 345.346 2.516 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632491 473236669 /nfs/dbraw/zinc/23/66/69/473236669.db2.gz BANPJWNSRQWCOJ-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632491 473236673 /nfs/dbraw/zinc/23/66/73/473236673.db2.gz BANPJWNSRQWCOJ-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632491 473236675 /nfs/dbraw/zinc/23/66/75/473236675.db2.gz BANPJWNSRQWCOJ-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632491 473236678 /nfs/dbraw/zinc/23/66/78/473236678.db2.gz BANPJWNSRQWCOJ-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000505704867 478879338 /nfs/dbraw/zinc/87/93/38/478879338.db2.gz GHUATRKUMWPOAI-OAHLLOKOSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000505704867 478879343 /nfs/dbraw/zinc/87/93/43/478879343.db2.gz GHUATRKUMWPOAI-OAHLLOKOSA-N 2 2 332.448 2.508 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089513244 472452550 /nfs/dbraw/zinc/45/25/50/472452550.db2.gz KRJGVGCNEZZXPN-UHFFFAOYSA-N 2 2 326.400 2.744 20 5 EFBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047005 472586593 /nfs/dbraw/zinc/58/65/93/472586593.db2.gz SWFJXDLTEBNPIO-QAPCUYQASA-N 2 2 347.459 2.616 20 5 EFBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933619 473104078 /nfs/dbraw/zinc/10/40/78/473104078.db2.gz UGQMEWIKEQEYRX-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933619 473104081 /nfs/dbraw/zinc/10/40/81/473104081.db2.gz UGQMEWIKEQEYRX-STQMWFEESA-N 2 2 343.387 2.525 20 5 EFBDLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959060 473111043 /nfs/dbraw/zinc/11/10/43/473111043.db2.gz UABKFQRPKJLOCX-CYBMUJFWSA-N 2 2 343.387 2.526 20 5 EFBDLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959060 473111050 /nfs/dbraw/zinc/11/10/50/473111050.db2.gz UABKFQRPKJLOCX-CYBMUJFWSA-N 2 2 343.387 2.526 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959337 473111310 /nfs/dbraw/zinc/11/13/10/473111310.db2.gz AYTVBXJXYHAUNJ-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959337 473111315 /nfs/dbraw/zinc/11/13/15/473111315.db2.gz AYTVBXJXYHAUNJ-OLZOCXBDSA-N 2 2 343.387 2.525 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665638 473171938 /nfs/dbraw/zinc/17/19/38/473171938.db2.gz JTGDZCBSMHXQTO-INIZCTEOSA-N 2 2 328.416 2.826 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665638 473171942 /nfs/dbraw/zinc/17/19/42/473171942.db2.gz JTGDZCBSMHXQTO-INIZCTEOSA-N 2 2 328.416 2.826 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330570 473492317 /nfs/dbraw/zinc/49/23/17/473492317.db2.gz MCVWTFANVXWQQF-HZPDHXFCSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330570 473492323 /nfs/dbraw/zinc/49/23/23/473492323.db2.gz MCVWTFANVXWQQF-HZPDHXFCSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329803 473492637 /nfs/dbraw/zinc/49/26/37/473492637.db2.gz LRDXTICJSQMVLE-DOTOQJQBSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329803 473492642 /nfs/dbraw/zinc/49/26/42/473492642.db2.gz LRDXTICJSQMVLE-DOTOQJQBSA-N 2 2 335.448 2.911 20 5 EFBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331147 473492817 /nfs/dbraw/zinc/49/28/17/473492817.db2.gz PCUDECDIVNUQEI-QZTJIDSGSA-N 2 2 335.448 2.992 20 5 EFBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331147 473492825 /nfs/dbraw/zinc/49/28/25/473492825.db2.gz PCUDECDIVNUQEI-QZTJIDSGSA-N 2 2 335.448 2.992 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245439072 473699652 /nfs/dbraw/zinc/69/96/52/473699652.db2.gz FQFOLTSYNILHOE-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245439072 473699657 /nfs/dbraw/zinc/69/96/57/473699657.db2.gz FQFOLTSYNILHOE-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245439072 473699662 /nfs/dbraw/zinc/69/96/62/473699662.db2.gz FQFOLTSYNILHOE-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245439072 473699667 /nfs/dbraw/zinc/69/96/67/473699667.db2.gz FQFOLTSYNILHOE-GOEBONIOSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000192884639 473741608 /nfs/dbraw/zinc/74/16/08/473741608.db2.gz MBEXJAJTXVCAPB-KSSFIOAISA-N 2 2 333.432 2.530 20 5 EFBDLP Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270111096 473994628 /nfs/dbraw/zinc/99/46/28/473994628.db2.gz DQNYVXHCBYUMBX-CYBMUJFWSA-N 2 2 327.388 2.724 20 5 EFBDLP Cc1cc(NC[C@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270111096 473994634 /nfs/dbraw/zinc/99/46/34/473994634.db2.gz DQNYVXHCBYUMBX-CYBMUJFWSA-N 2 2 327.388 2.724 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175256042 474173317 /nfs/dbraw/zinc/17/33/17/474173317.db2.gz QNYWUHMPLOMNCA-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175256042 474173322 /nfs/dbraw/zinc/17/33/22/474173322.db2.gz QNYWUHMPLOMNCA-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626933 474384398 /nfs/dbraw/zinc/38/43/98/474384398.db2.gz OMMJXWMDIGMASD-IUODEOHRSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626933 474384403 /nfs/dbraw/zinc/38/44/03/474384403.db2.gz OMMJXWMDIGMASD-IUODEOHRSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626933 474384411 /nfs/dbraw/zinc/38/44/11/474384411.db2.gz OMMJXWMDIGMASD-IUODEOHRSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626933 474384422 /nfs/dbraw/zinc/38/44/22/474384422.db2.gz OMMJXWMDIGMASD-IUODEOHRSA-N 2 2 337.395 2.659 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000267158109 474605187 /nfs/dbraw/zinc/60/51/87/474605187.db2.gz FEBDFPNKZNQONZ-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155135 474706278 /nfs/dbraw/zinc/70/62/78/474706278.db2.gz VMCQBDZVIROHCR-MSOLQXFVSA-N 2 2 335.448 2.728 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293033111 474776144 /nfs/dbraw/zinc/77/61/44/474776144.db2.gz RRBUQCVPZRMTNL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293033111 474776151 /nfs/dbraw/zinc/77/61/51/474776151.db2.gz RRBUQCVPZRMTNL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033111 474776157 /nfs/dbraw/zinc/77/61/57/474776157.db2.gz RRBUQCVPZRMTNL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033111 474776162 /nfs/dbraw/zinc/77/61/62/474776162.db2.gz RRBUQCVPZRMTNL-GOSISDBHSA-N 2 2 333.432 2.911 20 5 EFBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272277 474900462 /nfs/dbraw/zinc/90/04/62/474900462.db2.gz SZVFVXGAUNUAIR-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272277 474900466 /nfs/dbraw/zinc/90/04/66/474900466.db2.gz SZVFVXGAUNUAIR-INIZCTEOSA-N 2 2 332.448 2.591 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810944 474995754 /nfs/dbraw/zinc/99/57/54/474995754.db2.gz KDIYOUJVTFONGM-KURKYZTESA-N 2 2 333.432 2.889 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810944 474995762 /nfs/dbraw/zinc/99/57/62/474995762.db2.gz KDIYOUJVTFONGM-KURKYZTESA-N 2 2 333.432 2.889 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386473 480156387 /nfs/dbraw/zinc/15/63/87/480156387.db2.gz UQNPDDNUSASMCH-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386473 480156392 /nfs/dbraw/zinc/15/63/92/480156392.db2.gz UQNPDDNUSASMCH-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000347373178 475275197 /nfs/dbraw/zinc/27/51/97/475275197.db2.gz WRUYAQFWAQFPDK-SSZFMOIBSA-N 2 2 347.459 2.777 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000347373178 475275203 /nfs/dbraw/zinc/27/52/03/475275203.db2.gz WRUYAQFWAQFPDK-SSZFMOIBSA-N 2 2 347.459 2.777 20 5 EFBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722524 475391202 /nfs/dbraw/zinc/39/12/02/475391202.db2.gz KGIACPOCAOHDII-BZUAXINKSA-N 2 2 335.452 2.597 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722524 475391208 /nfs/dbraw/zinc/39/12/08/475391208.db2.gz KGIACPOCAOHDII-BZUAXINKSA-N 2 2 335.452 2.597 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777905 475614364 /nfs/dbraw/zinc/61/43/64/475614364.db2.gz IHKKTWUTSCFIGO-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777905 475614370 /nfs/dbraw/zinc/61/43/70/475614370.db2.gz IHKKTWUTSCFIGO-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP Cc1ccc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c[nH+]1 ZINC000355120212 475680650 /nfs/dbraw/zinc/68/06/50/475680650.db2.gz GHYGBVDNDQJHCY-UHFFFAOYSA-N 2 2 325.372 2.897 20 5 EFBDLP CC[NH+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516681 476037526 /nfs/dbraw/zinc/03/75/26/476037526.db2.gz JCILKKNWPDZGIP-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[NH+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520272 476042199 /nfs/dbraw/zinc/04/21/99/476042199.db2.gz NQZIGQPAGQDKPU-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000347195545 476163588 /nfs/dbraw/zinc/16/35/88/476163588.db2.gz HCMUTTKYCCEZKB-OAHLLOKOSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000347195545 476163597 /nfs/dbraw/zinc/16/35/97/476163597.db2.gz HCMUTTKYCCEZKB-OAHLLOKOSA-N 2 2 329.356 2.652 20 5 EFBDLP Cc1cc(NCc2ccc(N(C)C)[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360949384 476495965 /nfs/dbraw/zinc/49/59/65/476495965.db2.gz KANDHZWZEMADIA-UHFFFAOYSA-N 2 2 337.383 2.946 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422710813 476739903 /nfs/dbraw/zinc/73/99/03/476739903.db2.gz GDJALHZTVROAEM-CXAGYDPISA-N 2 2 329.400 2.652 20 5 EFBDLP C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541205 476850621 /nfs/dbraw/zinc/85/06/21/476850621.db2.gz AYFJMAARHZBFSH-XJKSGUPXSA-N 2 2 344.415 2.852 20 5 EFBDLP C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541205 476850627 /nfs/dbraw/zinc/85/06/27/476850627.db2.gz AYFJMAARHZBFSH-XJKSGUPXSA-N 2 2 344.415 2.852 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)c1 ZINC000430579580 476867257 /nfs/dbraw/zinc/86/72/57/476867257.db2.gz YSVRHECTISRGMG-CABCVRRESA-N 2 2 342.399 2.619 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)c1 ZINC000430579580 476867262 /nfs/dbraw/zinc/86/72/62/476867262.db2.gz YSVRHECTISRGMG-CABCVRRESA-N 2 2 342.399 2.619 20 5 EFBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947070 476895071 /nfs/dbraw/zinc/89/50/71/476895071.db2.gz KJJWGODSZODPPM-DGCLKSJQSA-N 2 2 332.429 2.948 20 5 EFBDLP CCCC[C@@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297786 476985054 /nfs/dbraw/zinc/98/50/54/476985054.db2.gz LWAPLKMILIUPDP-GOEBONIOSA-N 2 2 331.420 2.525 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000366758746 477173326 /nfs/dbraw/zinc/17/33/26/477173326.db2.gz OMAPOKWDCJFFLH-AWEZNQCLSA-N 2 2 330.388 2.717 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000366758746 477173330 /nfs/dbraw/zinc/17/33/30/477173330.db2.gz OMAPOKWDCJFFLH-AWEZNQCLSA-N 2 2 330.388 2.717 20 5 EFBDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389747 477220234 /nfs/dbraw/zinc/22/02/34/477220234.db2.gz GKWQHYUVHRDMJQ-CABCVRRESA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389747 477220240 /nfs/dbraw/zinc/22/02/40/477220240.db2.gz GKWQHYUVHRDMJQ-CABCVRRESA-N 2 2 335.452 2.739 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316310 477237255 /nfs/dbraw/zinc/23/72/55/477237255.db2.gz CRHFGLANERJBGN-IMJJTQAJSA-N 2 2 349.431 2.507 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316310 477237260 /nfs/dbraw/zinc/23/72/60/477237260.db2.gz CRHFGLANERJBGN-IMJJTQAJSA-N 2 2 349.431 2.507 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040300 477482294 /nfs/dbraw/zinc/48/22/94/477482294.db2.gz TVFVNWGCPCQQKZ-MRXNPFEDSA-N 2 2 344.415 2.912 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040300 477482300 /nfs/dbraw/zinc/48/23/00/477482300.db2.gz TVFVNWGCPCQQKZ-MRXNPFEDSA-N 2 2 344.415 2.912 20 5 EFBDLP Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269227 477655810 /nfs/dbraw/zinc/65/58/10/477655810.db2.gz ZVSJNTAREAIBNU-BLLLJJGKSA-N 2 2 341.415 2.924 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734351 477663152 /nfs/dbraw/zinc/66/31/52/477663152.db2.gz OFVYQOFHVWKTFK-CYBMUJFWSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734351 477663156 /nfs/dbraw/zinc/66/31/56/477663156.db2.gz OFVYQOFHVWKTFK-CYBMUJFWSA-N 2 2 338.839 2.829 20 5 EFBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370314 477728410 /nfs/dbraw/zinc/72/84/10/477728410.db2.gz OXKDFYXTUWUSPC-VFVRVIDISA-N 2 2 344.415 2.768 20 5 EFBDLP [NH3+][C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000420379589 477735658 /nfs/dbraw/zinc/73/56/58/477735658.db2.gz BFZJOZZMBHBLOY-ZWKOTPCHSA-N 2 2 329.375 2.703 20 5 EFBDLP [NH3+][C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000420379589 477735664 /nfs/dbraw/zinc/73/56/64/477735664.db2.gz BFZJOZZMBHBLOY-ZWKOTPCHSA-N 2 2 329.375 2.703 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000595052270 478641821 /nfs/dbraw/zinc/64/18/21/478641821.db2.gz WMYGQPMSGNRGSK-GFCCVEGCSA-N 2 2 330.388 2.987 20 5 EFBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595057302 478644346 /nfs/dbraw/zinc/64/43/46/478644346.db2.gz WRDJMZKLDZLQBZ-DZGCQCFKSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595057302 478644348 /nfs/dbraw/zinc/64/43/48/478644348.db2.gz WRDJMZKLDZLQBZ-DZGCQCFKSA-N 2 2 348.447 2.774 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595100803 478660977 /nfs/dbraw/zinc/66/09/77/478660977.db2.gz JAOFEKWVYUNTRG-CJNGLKHVSA-N 2 2 349.431 2.507 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595106583 478662810 /nfs/dbraw/zinc/66/28/10/478662810.db2.gz VOXMCGRVZYFKQW-PBHICJAKSA-N 2 2 333.432 2.807 20 5 EFBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427672 478892297 /nfs/dbraw/zinc/89/22/97/478892297.db2.gz PBRWELSRJLWLIC-GXFFZTMASA-N 2 2 329.347 2.755 20 5 EFBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427672 478892300 /nfs/dbraw/zinc/89/23/00/478892300.db2.gz PBRWELSRJLWLIC-GXFFZTMASA-N 2 2 329.347 2.755 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032218 479134949 /nfs/dbraw/zinc/13/49/49/479134949.db2.gz MIUVIZMYWDNILS-OAHLLOKOSA-N 2 2 347.459 2.791 20 5 EFBDLP Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599106594 479162567 /nfs/dbraw/zinc/16/25/67/479162567.db2.gz WLXMVHXUKNEDEH-BETUJISGSA-N 2 2 327.388 2.547 20 5 EFBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988060 479189998 /nfs/dbraw/zinc/18/99/98/479189998.db2.gz XSVTXKYUSRHKFV-ARFHVFGLSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988060 479190005 /nfs/dbraw/zinc/19/00/05/479190005.db2.gz XSVTXKYUSRHKFV-ARFHVFGLSA-N 2 2 335.452 2.739 20 5 EFBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000593316087 479289883 /nfs/dbraw/zinc/28/98/83/479289883.db2.gz RLBMPKCEMMHHEV-LRDDRELGSA-N 2 2 341.358 2.757 20 5 EFBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000593316087 479289890 /nfs/dbraw/zinc/28/98/90/479289890.db2.gz RLBMPKCEMMHHEV-LRDDRELGSA-N 2 2 341.358 2.757 20 5 EFBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000602502929 479370932 /nfs/dbraw/zinc/37/09/32/479370932.db2.gz IYIHGGMMCKXTOU-UHFFFAOYSA-N 2 2 328.294 2.990 20 5 EFBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665438 479460014 /nfs/dbraw/zinc/46/00/14/479460014.db2.gz JHSAVIJRYKBQDB-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665438 479460017 /nfs/dbraw/zinc/46/00/17/479460017.db2.gz JHSAVIJRYKBQDB-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665438 479460021 /nfs/dbraw/zinc/46/00/21/479460021.db2.gz JHSAVIJRYKBQDB-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665438 479460025 /nfs/dbraw/zinc/46/00/25/479460025.db2.gz JHSAVIJRYKBQDB-WFASDCNBSA-N 2 2 330.388 2.652 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000611788019 479480595 /nfs/dbraw/zinc/48/05/95/479480595.db2.gz ZZTJMOXFTSPJGO-UHFFFAOYSA-N 2 2 332.791 2.965 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000597248569 479643072 /nfs/dbraw/zinc/64/30/72/479643072.db2.gz AONIOUCAWASZLS-QINSGFPZSA-N 2 2 341.415 2.554 20 5 EFBDLP COC1CC[NH+](CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615724082 479744787 /nfs/dbraw/zinc/74/47/87/479744787.db2.gz LKRJVIBRDUVUFM-NTCAYCPXSA-N 2 2 333.432 2.699 20 5 EFBDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420549 480301273 /nfs/dbraw/zinc/30/12/73/480301273.db2.gz PDHUQVXGONFXSQ-RDTXWAMCSA-N 2 2 333.432 2.889 20 5 EFBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184268097 533780894 /nfs/dbraw/zinc/78/08/94/533780894.db2.gz ZRKNGRHJOVFIGR-UHFFFAOYSA-N 2 2 336.367 2.770 20 5 EFBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184268097 533780909 /nfs/dbraw/zinc/78/09/09/533780909.db2.gz ZRKNGRHJOVFIGR-UHFFFAOYSA-N 2 2 336.367 2.770 20 5 EFBDLP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221136 533788736 /nfs/dbraw/zinc/78/87/36/533788736.db2.gz KDLXSONVPGEVEF-LBPRGKRZSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221136 533788745 /nfs/dbraw/zinc/78/87/45/533788745.db2.gz KDLXSONVPGEVEF-LBPRGKRZSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221136 533788752 /nfs/dbraw/zinc/78/87/52/533788752.db2.gz KDLXSONVPGEVEF-LBPRGKRZSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221136 533788757 /nfs/dbraw/zinc/78/87/57/533788757.db2.gz KDLXSONVPGEVEF-LBPRGKRZSA-N 2 2 325.384 2.516 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000755758752 575628784 /nfs/dbraw/zinc/62/87/84/575628784.db2.gz AQVCZMNUHQLXOW-CQSZACIVSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000755758752 575628785 /nfs/dbraw/zinc/62/87/85/575628785.db2.gz AQVCZMNUHQLXOW-CQSZACIVSA-N 2 2 340.387 2.572 20 5 EFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000760892875 576085938 /nfs/dbraw/zinc/08/59/38/576085938.db2.gz OLTQTTQBGJTVFY-UHFFFAOYSA-N 2 2 332.791 2.965 20 5 EFBDLP Cc1nn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765012291 576536362 /nfs/dbraw/zinc/53/63/62/576536362.db2.gz FPTAGPAZBSHXEZ-UHFFFAOYSA-N 2 2 340.387 2.744 20 5 EFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039158 576539612 /nfs/dbraw/zinc/53/96/12/576539612.db2.gz PRTBNKHFKTWEJE-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039158 576539614 /nfs/dbraw/zinc/53/96/14/576539614.db2.gz PRTBNKHFKTWEJE-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039158 576539615 /nfs/dbraw/zinc/53/96/15/576539615.db2.gz PRTBNKHFKTWEJE-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039158 576539617 /nfs/dbraw/zinc/53/96/17/576539617.db2.gz PRTBNKHFKTWEJE-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102408 577007110 /nfs/dbraw/zinc/00/71/10/577007110.db2.gz DYWHEPMEIVJOMY-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102408 577007112 /nfs/dbraw/zinc/00/71/12/577007112.db2.gz DYWHEPMEIVJOMY-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102408 577007114 /nfs/dbraw/zinc/00/71/14/577007114.db2.gz DYWHEPMEIVJOMY-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102408 577007116 /nfs/dbraw/zinc/00/71/16/577007116.db2.gz DYWHEPMEIVJOMY-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583948 577168883 /nfs/dbraw/zinc/16/88/83/577168883.db2.gz LQTFDWBEKUQLHU-KUHUBIRLSA-N 2 2 344.459 2.636 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583948 577168885 /nfs/dbraw/zinc/16/88/85/577168885.db2.gz LQTFDWBEKUQLHU-KUHUBIRLSA-N 2 2 344.459 2.636 20 5 EFBDLP CC[N@H+](CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)CC(C)C ZINC000773272585 581412978 /nfs/dbraw/zinc/41/29/78/581412978.db2.gz SEIBNBNBEIEVOJ-UHFFFAOYSA-N 2 2 337.468 2.829 20 5 EFBDLP CC[N@@H+](CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)CC(C)C ZINC000773272585 581412980 /nfs/dbraw/zinc/41/29/80/581412980.db2.gz SEIBNBNBEIEVOJ-UHFFFAOYSA-N 2 2 337.468 2.829 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000774132366 581484763 /nfs/dbraw/zinc/48/47/63/581484763.db2.gz AETSHFDAMNHKNY-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001168983358 1272552410 /nfs/dbraw/zinc/55/24/10/1272552410.db2.gz JQVIDOKFPVUPCT-QRVBRYPASA-N 2 2 331.460 2.729 20 5 EFBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001168983357 1272552624 /nfs/dbraw/zinc/55/26/24/1272552624.db2.gz JQVIDOKFPVUPCT-OTWHNJEPSA-N 2 2 331.460 2.729 20 5 EFBDLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967517 1272559058 /nfs/dbraw/zinc/55/90/58/1272559058.db2.gz QIANFVRWSGOTMR-AEFFLSMTSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965522 1272559249 /nfs/dbraw/zinc/55/92/49/1272559249.db2.gz AJUWFPVCPJNZIQ-MAUKXSAKSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965526 1272559384 /nfs/dbraw/zinc/55/93/84/1272559384.db2.gz AJUWFPVCPJNZIQ-YJBOKZPZSA-N 2 2 347.459 2.695 20 5 EFBDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355313 1279035082 /nfs/dbraw/zinc/03/50/82/1279035082.db2.gz ZNBWWWNMUDJSJT-AWEZNQCLSA-N 2 2 332.404 2.753 20 5 EFBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355313 1279035093 /nfs/dbraw/zinc/03/50/93/1279035093.db2.gz ZNBWWWNMUDJSJT-AWEZNQCLSA-N 2 2 332.404 2.753 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC001173179206 1286453368 /nfs/dbraw/zinc/45/33/68/1286453368.db2.gz NYKLSXBAEOXAMK-STQMWFEESA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)c1F ZINC001173179206 1286453376 /nfs/dbraw/zinc/45/33/76/1286453376.db2.gz NYKLSXBAEOXAMK-STQMWFEESA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1F ZINC001173179373 1286455442 /nfs/dbraw/zinc/45/54/42/1286455442.db2.gz PDBFNIUNFMXANU-QWHCGFSZSA-N 2 2 339.411 2.747 20 5 EFBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001173225579 1286480782 /nfs/dbraw/zinc/48/07/82/1286480782.db2.gz SDVSFSXQVIZJAG-OAHLLOKOSA-N 2 2 340.427 2.871 20 5 EFBDLP CC[N@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC1CC1 ZINC000779867559 1298979801 /nfs/dbraw/zinc/97/98/01/1298979801.db2.gz AVBDDBZCERPADF-UHFFFAOYSA-N 2 2 349.479 2.891 20 5 EFBDLP CC[N@@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC1CC1 ZINC000779867559 1298979821 /nfs/dbraw/zinc/97/98/21/1298979821.db2.gz AVBDDBZCERPADF-UHFFFAOYSA-N 2 2 349.479 2.891 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913577 1300817430 /nfs/dbraw/zinc/81/74/30/1300817430.db2.gz ROENDKRKBRNJLM-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913577 1300817442 /nfs/dbraw/zinc/81/74/42/1300817442.db2.gz ROENDKRKBRNJLM-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913577 1300817449 /nfs/dbraw/zinc/81/74/49/1300817449.db2.gz ROENDKRKBRNJLM-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913577 1300817461 /nfs/dbraw/zinc/81/74/61/1300817461.db2.gz ROENDKRKBRNJLM-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564955 1311689556 /nfs/dbraw/zinc/68/95/56/1311689556.db2.gz IQHICPWLXOTDHR-MRXNPFEDSA-N 2 2 341.479 2.508 20 5 EFBDLP C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564955 1311689559 /nfs/dbraw/zinc/68/95/59/1311689559.db2.gz IQHICPWLXOTDHR-MRXNPFEDSA-N 2 2 341.479 2.508 20 5 EFBDLP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160738502 1311771840 /nfs/dbraw/zinc/77/18/40/1311771840.db2.gz MVTKBXCZIXZSBP-UZLBHIALSA-N 2 2 333.435 2.641 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)c1F ZINC001246507267 1314639995 /nfs/dbraw/zinc/63/99/95/1314639995.db2.gz MNQZZYZABAXHED-IUODEOHRSA-N 2 2 347.390 2.963 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000893533931 716815549 /nfs/dbraw/zinc/81/55/49/716815549.db2.gz DMFFBAJZGMVDSF-ZDUSSCGKSA-N 2 2 337.420 2.663 20 5 EFBDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000171041568 728509997 /nfs/dbraw/zinc/50/99/97/728509997.db2.gz LBWLHDZTLPVVMT-UHFFFAOYSA-N 2 2 343.431 2.593 20 5 EFBDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000171041568 728509999 /nfs/dbraw/zinc/50/99/99/728509999.db2.gz LBWLHDZTLPVVMT-UHFFFAOYSA-N 2 2 343.431 2.593 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806898 1089469284 /nfs/dbraw/zinc/46/92/84/1089469284.db2.gz KSHDHNUEZJQRPR-RKDXNWHRSA-N 2 2 348.266 2.836 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806898 1089469289 /nfs/dbraw/zinc/46/92/89/1089469289.db2.gz KSHDHNUEZJQRPR-RKDXNWHRSA-N 2 2 348.266 2.836 20 5 EFBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)C1CC1 ZINC000131167028 1119912593 /nfs/dbraw/zinc/91/25/93/1119912593.db2.gz WOYZCAJPZALDIQ-CQSZACIVSA-N 2 2 332.448 2.636 20 5 EFBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+](C)C1CC1 ZINC000131167028 1119912596 /nfs/dbraw/zinc/91/25/96/1119912596.db2.gz WOYZCAJPZALDIQ-CQSZACIVSA-N 2 2 332.448 2.636 20 5 EFBDLP CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000414616572 244256633 /nfs/dbraw/zinc/25/66/33/244256633.db2.gz IGHVIXGAFGHVNK-LBPRGKRZSA-N 2 2 342.359 2.876 20 5 EFBDLP COC[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]1 ZINC000414944181 244398477 /nfs/dbraw/zinc/39/84/77/244398477.db2.gz NRFOETPYGYCCBI-GOSISDBHSA-N 2 2 345.399 2.713 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836289 203323240 /nfs/dbraw/zinc/32/32/40/203323240.db2.gz QZRJNLFKPSJFDX-INIZCTEOSA-N 2 2 333.432 2.781 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836289 203323244 /nfs/dbraw/zinc/32/32/44/203323244.db2.gz QZRJNLFKPSJFDX-INIZCTEOSA-N 2 2 333.432 2.781 20 5 EFBDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419296579 245370785 /nfs/dbraw/zinc/37/07/85/245370785.db2.gz SDEQDZYKSSISAM-ZDUSSCGKSA-N 2 2 346.431 2.528 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157269625 206127625 /nfs/dbraw/zinc/12/76/25/206127625.db2.gz BQMFAUURPFTTKN-INIZCTEOSA-N 2 2 333.432 2.924 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157269625 206127629 /nfs/dbraw/zinc/12/76/29/206127629.db2.gz BQMFAUURPFTTKN-INIZCTEOSA-N 2 2 333.432 2.924 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000159016811 206220576 /nfs/dbraw/zinc/22/05/76/206220576.db2.gz QLBWLWZICNVXRE-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000159016811 206220578 /nfs/dbraw/zinc/22/05/78/206220578.db2.gz QLBWLWZICNVXRE-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159010752 206221119 /nfs/dbraw/zinc/22/11/19/206221119.db2.gz WBTQXHSKUHDIMG-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159010752 206221122 /nfs/dbraw/zinc/22/11/22/206221122.db2.gz WBTQXHSKUHDIMG-CJNGLKHVSA-N 2 2 330.388 2.883 20 5 EFBDLP CCCC[C@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304462 246616051 /nfs/dbraw/zinc/61/60/51/246616051.db2.gz YWKSDNXNUXORTI-ZBFHGGJFSA-N 2 2 331.420 2.525 20 5 EFBDLP Cc1ncsc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000435428433 248239057 /nfs/dbraw/zinc/23/90/57/248239057.db2.gz QXCHQWULKHLPAL-OAHLLOKOSA-N 2 2 346.456 2.971 20 5 EFBDLP Cc1ncsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000435428433 248239059 /nfs/dbraw/zinc/23/90/59/248239059.db2.gz QXCHQWULKHLPAL-OAHLLOKOSA-N 2 2 346.456 2.971 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000267625473 251202036 /nfs/dbraw/zinc/20/20/36/251202036.db2.gz RLRBPCATVFRGCF-LLVKDONJSA-N 2 2 327.344 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000267625473 251202043 /nfs/dbraw/zinc/20/20/43/251202043.db2.gz RLRBPCATVFRGCF-LLVKDONJSA-N 2 2 327.344 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000267625477 251202797 /nfs/dbraw/zinc/20/27/97/251202797.db2.gz RLRBPCATVFRGCF-NSHDSACASA-N 2 2 327.344 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000267625477 251202800 /nfs/dbraw/zinc/20/28/00/251202800.db2.gz RLRBPCATVFRGCF-NSHDSACASA-N 2 2 327.344 2.839 20 5 EFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285154 207210560 /nfs/dbraw/zinc/21/05/60/207210560.db2.gz QCUNWKXGSZVGCI-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285154 207210565 /nfs/dbraw/zinc/21/05/65/207210565.db2.gz QCUNWKXGSZVGCI-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285154 207210568 /nfs/dbraw/zinc/21/05/68/207210568.db2.gz QCUNWKXGSZVGCI-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285154 207210573 /nfs/dbraw/zinc/21/05/73/207210573.db2.gz QCUNWKXGSZVGCI-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000468650442 256017944 /nfs/dbraw/zinc/01/79/44/256017944.db2.gz HFHHBGKEWBBMSE-HVRVZBDQSA-N 2 2 347.459 2.945 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000468650442 256017947 /nfs/dbraw/zinc/01/79/47/256017947.db2.gz HFHHBGKEWBBMSE-HVRVZBDQSA-N 2 2 347.459 2.945 20 5 EFBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663662 142057716 /nfs/dbraw/zinc/05/77/16/142057716.db2.gz IBSUTMMRLBAVKB-JQWIXIFHSA-N 2 2 329.347 2.769 20 5 EFBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000344663662 142057717 /nfs/dbraw/zinc/05/77/17/142057717.db2.gz IBSUTMMRLBAVKB-JQWIXIFHSA-N 2 2 329.347 2.769 20 5 EFBDLP Cc1ccc2[nH+]cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])n2c1 ZINC000348898164 146021544 /nfs/dbraw/zinc/02/15/44/146021544.db2.gz XDNBFAQXEURMFM-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000369463384 150361870 /nfs/dbraw/zinc/36/18/70/150361870.db2.gz OKGRBBXWXWLSAE-OAHLLOKOSA-N 2 2 344.327 2.551 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000369463384 150361874 /nfs/dbraw/zinc/36/18/74/150361874.db2.gz OKGRBBXWXWLSAE-OAHLLOKOSA-N 2 2 344.327 2.551 20 5 EFBDLP COc1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374588495 151376147 /nfs/dbraw/zinc/37/61/47/151376147.db2.gz SCYZYFTXYJCSPZ-UHFFFAOYSA-N 2 2 349.431 2.542 20 5 EFBDLP COc1ccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374588495 151376149 /nfs/dbraw/zinc/37/61/49/151376149.db2.gz SCYZYFTXYJCSPZ-UHFFFAOYSA-N 2 2 349.431 2.542 20 5 EFBDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000378623625 152129851 /nfs/dbraw/zinc/12/98/51/152129851.db2.gz NLEFXPOPMINLRU-LBPRGKRZSA-N 2 2 340.387 2.673 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607961 267210953 /nfs/dbraw/zinc/21/09/53/267210953.db2.gz WGNPDQKXTGUAAB-AWEZNQCLSA-N 2 2 337.420 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607961 267210954 /nfs/dbraw/zinc/21/09/54/267210954.db2.gz WGNPDQKXTGUAAB-AWEZNQCLSA-N 2 2 337.420 2.528 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000278229603 267374657 /nfs/dbraw/zinc/37/46/57/267374657.db2.gz MPEHMBCUMHKPEL-GFCCVEGCSA-N 2 2 331.332 2.606 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000278229603 267374659 /nfs/dbraw/zinc/37/46/59/267374659.db2.gz MPEHMBCUMHKPEL-GFCCVEGCSA-N 2 2 331.332 2.606 20 5 EFBDLP C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413156850 274226576 /nfs/dbraw/zinc/22/65/76/274226576.db2.gz SOIRVDKKMCCAHT-ZDUSSCGKSA-N 2 2 330.388 2.523 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000433525241 281012179 /nfs/dbraw/zinc/01/21/79/281012179.db2.gz ODNTVVRNYMGXNV-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000310036246 295255130 /nfs/dbraw/zinc/25/51/30/295255130.db2.gz YDNOJGWIRGZDDS-UHFFFAOYSA-N 2 2 329.400 2.954 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000310036246 295255131 /nfs/dbraw/zinc/25/51/31/295255131.db2.gz YDNOJGWIRGZDDS-UHFFFAOYSA-N 2 2 329.400 2.954 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853521 311338620 /nfs/dbraw/zinc/33/86/20/311338620.db2.gz GQEHMIPBDBKLFA-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853521 311338623 /nfs/dbraw/zinc/33/86/23/311338623.db2.gz GQEHMIPBDBKLFA-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853521 311338625 /nfs/dbraw/zinc/33/86/25/311338625.db2.gz GQEHMIPBDBKLFA-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853521 311338626 /nfs/dbraw/zinc/33/86/26/311338626.db2.gz GQEHMIPBDBKLFA-GJZGRUSLSA-N 2 2 348.447 2.646 20 5 EFBDLP COc1ccc(C[N@H+](C)CC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415111842 312096352 /nfs/dbraw/zinc/09/63/52/312096352.db2.gz RDJPNNWWBNPHHM-UHFFFAOYSA-N 2 2 345.399 2.573 20 5 EFBDLP COc1ccc(C[N@@H+](C)CC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415111842 312096354 /nfs/dbraw/zinc/09/63/54/312096354.db2.gz RDJPNNWWBNPHHM-UHFFFAOYSA-N 2 2 345.399 2.573 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356417 312364210 /nfs/dbraw/zinc/36/42/10/312364210.db2.gz CUVFCSVNSQEVRU-GOSISDBHSA-N 2 2 333.432 2.958 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356417 312364212 /nfs/dbraw/zinc/36/42/12/312364212.db2.gz CUVFCSVNSQEVRU-GOSISDBHSA-N 2 2 333.432 2.958 20 5 EFBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420629962 312376505 /nfs/dbraw/zinc/37/65/05/312376505.db2.gz RTAUAXBHXDLJOF-UHFFFAOYSA-N 2 2 332.448 2.591 20 5 EFBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420629962 312376506 /nfs/dbraw/zinc/37/65/06/312376506.db2.gz RTAUAXBHXDLJOF-UHFFFAOYSA-N 2 2 332.448 2.591 20 5 EFBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000581954100 324489051 /nfs/dbraw/zinc/48/90/51/324489051.db2.gz JNRHLSIOQGIREH-MRXNPFEDSA-N 2 2 326.400 2.947 20 5 EFBDLP Cc1[nH+]cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000597015417 479537302 /nfs/dbraw/zinc/53/73/02/479537302.db2.gz ZIKXWMNJDHYJOM-UHFFFAOYSA-N 2 2 330.388 2.680 20 5 EFBDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000194537155 473913100 /nfs/dbraw/zinc/91/31/00/473913100.db2.gz WQVDWVMJKUSWPB-OKILXGFUSA-N 2 2 327.384 2.848 20 5 EFBDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000194537155 473913109 /nfs/dbraw/zinc/91/31/09/473913109.db2.gz WQVDWVMJKUSWPB-OKILXGFUSA-N 2 2 327.384 2.848 20 5 EFBDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000194537155 473913112 /nfs/dbraw/zinc/91/31/12/473913112.db2.gz WQVDWVMJKUSWPB-OKILXGFUSA-N 2 2 327.384 2.848 20 5 EFBDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000194537155 473913118 /nfs/dbraw/zinc/91/31/18/473913118.db2.gz WQVDWVMJKUSWPB-OKILXGFUSA-N 2 2 327.384 2.848 20 5 EFBDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000289516183 474304159 /nfs/dbraw/zinc/30/41/59/474304159.db2.gz DKYLGQPWYSWERU-UHFFFAOYSA-N 2 2 325.372 2.897 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626935 474384242 /nfs/dbraw/zinc/38/42/42/474384242.db2.gz OMMJXWMDIGMASD-SWLSCSKDSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626935 474384253 /nfs/dbraw/zinc/38/42/53/474384253.db2.gz OMMJXWMDIGMASD-SWLSCSKDSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626935 474384257 /nfs/dbraw/zinc/38/42/57/474384257.db2.gz OMMJXWMDIGMASD-SWLSCSKDSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626935 474384264 /nfs/dbraw/zinc/38/42/64/474384264.db2.gz OMMJXWMDIGMASD-SWLSCSKDSA-N 2 2 337.395 2.659 20 5 EFBDLP C[NH+](C)[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912811 475066925 /nfs/dbraw/zinc/06/69/25/475066925.db2.gz IEKCZOHFNSXURE-FUHWJXTLSA-N 2 2 349.500 2.943 20 5 EFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997016 475118258 /nfs/dbraw/zinc/11/82/58/475118258.db2.gz IECIESUDJFTJQL-XWIAVFTESA-N 2 2 329.444 2.988 20 5 EFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997016 475118266 /nfs/dbraw/zinc/11/82/66/475118266.db2.gz IECIESUDJFTJQL-XWIAVFTESA-N 2 2 329.444 2.988 20 5 EFBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386092 480156203 /nfs/dbraw/zinc/15/62/03/480156203.db2.gz KLXGYJSLRIMBSO-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386092 480156208 /nfs/dbraw/zinc/15/62/08/480156208.db2.gz KLXGYJSLRIMBSO-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP CC1CC[NH+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709845 475386784 /nfs/dbraw/zinc/38/67/84/475386784.db2.gz CLUDQFSJPILFEZ-HOTGVXAUSA-N 2 2 335.452 2.597 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297533954 475796740 /nfs/dbraw/zinc/79/67/40/475796740.db2.gz PJCMEPNPXFNCFU-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831328 475894308 /nfs/dbraw/zinc/89/43/08/475894308.db2.gz KTNNJIWZEUEEBQ-CVEARBPZSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831328 475894316 /nfs/dbraw/zinc/89/43/16/475894316.db2.gz KTNNJIWZEUEEBQ-CVEARBPZSA-N 2 2 345.399 2.793 20 5 EFBDLP CC[C@@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496547 476020056 /nfs/dbraw/zinc/02/00/56/476020056.db2.gz MLOCKONTXJJZQI-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496547 476020064 /nfs/dbraw/zinc/02/00/64/476020064.db2.gz MLOCKONTXJJZQI-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000347110738 476101103 /nfs/dbraw/zinc/10/11/03/476101103.db2.gz XMIJVDMQZMFRNJ-OAHLLOKOSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000347110738 476101107 /nfs/dbraw/zinc/10/11/07/476101107.db2.gz XMIJVDMQZMFRNJ-OAHLLOKOSA-N 2 2 329.356 2.652 20 5 EFBDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446850118 476927011 /nfs/dbraw/zinc/92/70/11/476927011.db2.gz VUUWHXFYWZBTCH-UHFFFAOYSA-N 2 2 331.420 2.824 20 5 EFBDLP CCC([NH3+])(CC)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423290642 476983230 /nfs/dbraw/zinc/98/32/30/476983230.db2.gz DWFNIPVRXADDPD-OAHLLOKOSA-N 2 2 331.420 2.525 20 5 EFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531651 477005691 /nfs/dbraw/zinc/00/56/91/477005691.db2.gz SCBCXZMELHOREX-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531651 477005699 /nfs/dbraw/zinc/00/56/99/477005699.db2.gz SCBCXZMELHOREX-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000447537912 477007726 /nfs/dbraw/zinc/00/77/26/477007726.db2.gz ZJUHQFWEIROTJK-VQHPVUNQSA-N 2 2 349.479 2.985 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000447537912 477007730 /nfs/dbraw/zinc/00/77/30/477007730.db2.gz ZJUHQFWEIROTJK-VQHPVUNQSA-N 2 2 349.479 2.985 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000447591443 477020277 /nfs/dbraw/zinc/02/02/77/477020277.db2.gz ICXRBCWQABBTNP-YESZJQIVSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000447591443 477020279 /nfs/dbraw/zinc/02/02/79/477020279.db2.gz ICXRBCWQABBTNP-YESZJQIVSA-N 2 2 347.463 2.882 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026613 477119046 /nfs/dbraw/zinc/11/90/46/477119046.db2.gz JBQIGZOXFOYULG-OAGGEKHMSA-N 2 2 349.479 2.985 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026613 477119054 /nfs/dbraw/zinc/11/90/54/477119054.db2.gz JBQIGZOXFOYULG-OAGGEKHMSA-N 2 2 349.479 2.985 20 5 EFBDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389749 477219363 /nfs/dbraw/zinc/21/93/63/477219363.db2.gz GKWQHYUVHRDMJQ-GJZGRUSLSA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389749 477219365 /nfs/dbraw/zinc/21/93/65/477219365.db2.gz GKWQHYUVHRDMJQ-GJZGRUSLSA-N 2 2 335.452 2.739 20 5 EFBDLP CCc1cc(NC2CCC([NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420171702 477630969 /nfs/dbraw/zinc/63/09/69/477630969.db2.gz UKYMMULMOHWLFT-UHFFFAOYSA-N 2 2 341.415 2.718 20 5 EFBDLP CCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420239538 477645616 /nfs/dbraw/zinc/64/56/16/477645616.db2.gz PKWWBPBPXRQYNL-ZFWWWQNUSA-N 2 2 341.415 2.718 20 5 EFBDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984403 477876917 /nfs/dbraw/zinc/87/69/17/477876917.db2.gz SZDPAVQCGHEQBJ-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984403 477876922 /nfs/dbraw/zinc/87/69/22/477876922.db2.gz SZDPAVQCGHEQBJ-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880903 /nfs/dbraw/zinc/88/09/03/477880903.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880909 /nfs/dbraw/zinc/88/09/09/477880909.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880914 /nfs/dbraw/zinc/88/09/14/477880914.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880920 /nfs/dbraw/zinc/88/09/20/477880920.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CCCC[N@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488207791 478130330 /nfs/dbraw/zinc/13/03/30/478130330.db2.gz CSHNKTXLJCCDHL-UHFFFAOYSA-N 2 2 343.431 2.926 20 5 EFBDLP CCCC[N@@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488207791 478130338 /nfs/dbraw/zinc/13/03/38/478130338.db2.gz CSHNKTXLJCCDHL-UHFFFAOYSA-N 2 2 343.431 2.926 20 5 EFBDLP Cc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489162461 478221734 /nfs/dbraw/zinc/22/17/34/478221734.db2.gz OBKVLRYXGSMZAB-UHFFFAOYSA-N 2 2 343.431 2.782 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498786 478412677 /nfs/dbraw/zinc/41/26/77/478412677.db2.gz LIHNPIPELGLGGL-RHSMWYFYSA-N 2 2 333.432 2.807 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000594501120 478413908 /nfs/dbraw/zinc/41/39/08/478413908.db2.gz RHORDWAAEFTMNT-HNNXBMFYSA-N 2 2 339.823 2.591 20 5 EFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000591150692 478475862 /nfs/dbraw/zinc/47/58/62/478475862.db2.gz NZWLJBNLQBKRKV-INIZCTEOSA-N 2 2 342.399 2.808 20 5 EFBDLP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436555 478551032 /nfs/dbraw/zinc/55/10/32/478551032.db2.gz BSQLNJSFEUHZRJ-CZUORRHYSA-N 2 2 339.399 2.548 20 5 EFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595099915 478659429 /nfs/dbraw/zinc/65/94/29/478659429.db2.gz GPTBLHYMFNPBEE-CRAIPNDOSA-N 2 2 347.459 2.759 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595106585 478662054 /nfs/dbraw/zinc/66/20/54/478662054.db2.gz VOXMCGRVZYFKQW-WMLDXEAASA-N 2 2 333.432 2.807 20 5 EFBDLP Cc1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000595299834 478721453 /nfs/dbraw/zinc/72/14/53/478721453.db2.gz ZIIZODLUALNUIW-UHFFFAOYSA-N 2 2 336.436 2.979 20 5 EFBDLP O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491896369 478727072 /nfs/dbraw/zinc/72/70/72/478727072.db2.gz ZUXVIKXGQHEULD-SNAWJCMRSA-N 2 2 335.323 2.827 20 5 EFBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427671 478892314 /nfs/dbraw/zinc/89/23/14/478892314.db2.gz PBRWELSRJLWLIC-GWCFXTLKSA-N 2 2 329.347 2.755 20 5 EFBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427671 478892323 /nfs/dbraw/zinc/89/23/23/478892323.db2.gz PBRWELSRJLWLIC-GWCFXTLKSA-N 2 2 329.347 2.755 20 5 EFBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988061 479190625 /nfs/dbraw/zinc/19/06/25/479190625.db2.gz XSVTXKYUSRHKFV-HRCADAONSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988061 479190629 /nfs/dbraw/zinc/19/06/29/479190629.db2.gz XSVTXKYUSRHKFV-HRCADAONSA-N 2 2 335.452 2.739 20 5 EFBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513017 479376878 /nfs/dbraw/zinc/37/68/78/479376878.db2.gz ZGBCFSBBNLPUFZ-QMMMGPOBSA-N 2 2 345.222 2.794 20 5 EFBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535850 479387820 /nfs/dbraw/zinc/38/78/20/479387820.db2.gz ZGLKYRNCHBGSRU-QMMMGPOBSA-N 2 2 336.255 2.849 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000618567940 479495516 /nfs/dbraw/zinc/49/55/16/479495516.db2.gz MJLDXJKWEWPWBE-USXIJHARSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000618567940 479495518 /nfs/dbraw/zinc/49/55/18/479495518.db2.gz MJLDXJKWEWPWBE-USXIJHARSA-N 2 2 347.463 2.882 20 5 EFBDLP Cc1cc(NCCC[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508525 479531643 /nfs/dbraw/zinc/53/16/43/479531643.db2.gz DAAIJDAEARFQGD-UHFFFAOYSA-N 2 2 343.431 2.924 20 5 EFBDLP Cc1cc(NCCC[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508525 479531649 /nfs/dbraw/zinc/53/16/49/479531649.db2.gz DAAIJDAEARFQGD-UHFFFAOYSA-N 2 2 343.431 2.924 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687940 479560044 /nfs/dbraw/zinc/56/00/44/479560044.db2.gz ZBDCVLYZLOGOCH-ZDUSSCGKSA-N 2 2 336.411 2.623 20 5 EFBDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687940 479560049 /nfs/dbraw/zinc/56/00/49/479560049.db2.gz ZBDCVLYZLOGOCH-ZDUSSCGKSA-N 2 2 336.411 2.623 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590601423 479666991 /nfs/dbraw/zinc/66/69/91/479666991.db2.gz WJHSMIZCXOXGLU-HOTGVXAUSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590601423 479666993 /nfs/dbraw/zinc/66/69/93/479666993.db2.gz WJHSMIZCXOXGLU-HOTGVXAUSA-N 2 2 333.432 2.843 20 5 EFBDLP C[NH+](C)[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912814 517915787 /nfs/dbraw/zinc/91/57/87/517915787.db2.gz IEKCZOHFNSXURE-SJLPKXTDSA-N 2 2 349.500 2.943 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004360 527444074 /nfs/dbraw/zinc/44/40/74/527444074.db2.gz DKLZLPYHEYFPQH-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004360 527444077 /nfs/dbraw/zinc/44/40/77/527444077.db2.gz DKLZLPYHEYFPQH-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000755758749 575628742 /nfs/dbraw/zinc/62/87/42/575628742.db2.gz AQVCZMNUHQLXOW-AWEZNQCLSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000755758749 575628744 /nfs/dbraw/zinc/62/87/44/575628744.db2.gz AQVCZMNUHQLXOW-AWEZNQCLSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765016833 576536734 /nfs/dbraw/zinc/53/67/34/576536734.db2.gz ZDLXQFUKPBQWSM-HNNXBMFYSA-N 2 2 340.387 2.744 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765016833 576536736 /nfs/dbraw/zinc/53/67/36/576536736.db2.gz ZDLXQFUKPBQWSM-HNNXBMFYSA-N 2 2 340.387 2.744 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039780 576539724 /nfs/dbraw/zinc/53/97/24/576539724.db2.gz SOMCXGXNHSDWNJ-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039780 576539726 /nfs/dbraw/zinc/53/97/26/576539726.db2.gz SOMCXGXNHSDWNJ-HNNXBMFYSA-N 2 2 345.447 2.874 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102414 577007016 /nfs/dbraw/zinc/00/70/16/577007016.db2.gz DYWHEPMEIVJOMY-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102414 577007018 /nfs/dbraw/zinc/00/70/18/577007018.db2.gz DYWHEPMEIVJOMY-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102414 577007020 /nfs/dbraw/zinc/00/70/20/577007020.db2.gz DYWHEPMEIVJOMY-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102414 577007022 /nfs/dbraw/zinc/00/70/22/577007022.db2.gz DYWHEPMEIVJOMY-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102411 577007046 /nfs/dbraw/zinc/00/70/46/577007046.db2.gz DYWHEPMEIVJOMY-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102411 577007047 /nfs/dbraw/zinc/00/70/47/577007047.db2.gz DYWHEPMEIVJOMY-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102411 577007049 /nfs/dbraw/zinc/00/70/49/577007049.db2.gz DYWHEPMEIVJOMY-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102411 577007051 /nfs/dbraw/zinc/00/70/51/577007051.db2.gz DYWHEPMEIVJOMY-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499937 577278692 /nfs/dbraw/zinc/27/86/92/577278692.db2.gz NGJMOLCMMNLGGP-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499937 577278695 /nfs/dbraw/zinc/27/86/95/577278695.db2.gz NGJMOLCMMNLGGP-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499937 577278697 /nfs/dbraw/zinc/27/86/97/577278697.db2.gz NGJMOLCMMNLGGP-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499937 577278699 /nfs/dbraw/zinc/27/86/99/577278699.db2.gz NGJMOLCMMNLGGP-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000774132349 581484728 /nfs/dbraw/zinc/48/47/28/581484728.db2.gz AETSHFDAMNHKNY-BZUAXINKSA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577486 1276230256 /nfs/dbraw/zinc/23/02/56/1276230256.db2.gz ONGBNKINZAYTTL-VKJFTORMSA-N 2 2 345.443 2.770 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577486 1276230262 /nfs/dbraw/zinc/23/02/62/1276230262.db2.gz ONGBNKINZAYTTL-VKJFTORMSA-N 2 2 345.443 2.770 20 5 EFBDLP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001170347949 1279054623 /nfs/dbraw/zinc/05/46/23/1279054623.db2.gz TVHAEGPBGABICU-CQSZACIVSA-N 2 2 335.448 2.951 20 5 EFBDLP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001170347949 1279054638 /nfs/dbraw/zinc/05/46/38/1279054638.db2.gz TVHAEGPBGABICU-CQSZACIVSA-N 2 2 335.448 2.951 20 5 EFBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229650 1286483227 /nfs/dbraw/zinc/48/32/27/1286483227.db2.gz OQCQVNXKMPKNAH-AUUYWEPGSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229650 1286483233 /nfs/dbraw/zinc/48/32/33/1286483233.db2.gz OQCQVNXKMPKNAH-AUUYWEPGSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140567 1294726106 /nfs/dbraw/zinc/72/61/06/1294726106.db2.gz KMBIBUJPXGOZMU-CRAIPNDOSA-N 2 2 340.427 2.990 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140567 1294726116 /nfs/dbraw/zinc/72/61/16/1294726116.db2.gz KMBIBUJPXGOZMU-CRAIPNDOSA-N 2 2 340.427 2.990 20 5 EFBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000866279280 1303588897 /nfs/dbraw/zinc/58/88/97/1303588897.db2.gz NXIAFINQJSETHW-BLLLJJGKSA-N 2 2 341.452 2.692 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)c1F ZINC001246107009 1314583827 /nfs/dbraw/zinc/58/38/27/1314583827.db2.gz RUTUIXPUVZDKPP-RWMBFGLXSA-N 2 2 339.411 2.651 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001254610607 1315731008 /nfs/dbraw/zinc/73/10/08/1315731008.db2.gz LRSMTTCKKTXQJI-SFHVURJKSA-N 2 2 338.411 2.716 20 5 EFBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])[nH+]1 ZINC001331255120 1330810357 /nfs/dbraw/zinc/81/03/57/1330810357.db2.gz SUAVPMBJVTUENC-OAHLLOKOSA-N 2 2 327.388 2.770 20 5 EFBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])[nH+]1 ZINC001331255120 1330810360 /nfs/dbraw/zinc/81/03/60/1330810360.db2.gz SUAVPMBJVTUENC-OAHLLOKOSA-N 2 2 327.388 2.770 20 5 EFBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719558 1331201151 /nfs/dbraw/zinc/20/11/51/1331201151.db2.gz RDPCVMWNMYEZAM-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719558 1331201155 /nfs/dbraw/zinc/20/11/55/1331201155.db2.gz RDPCVMWNMYEZAM-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568477 1335054843 /nfs/dbraw/zinc/05/48/43/1335054843.db2.gz DPTWWIWEDRTECQ-CVEARBPZSA-N 2 2 332.404 2.529 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806893 1089469314 /nfs/dbraw/zinc/46/93/14/1089469314.db2.gz KSHDHNUEZJQRPR-BDAKNGLRSA-N 2 2 348.266 2.836 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806893 1089469320 /nfs/dbraw/zinc/46/93/20/1089469320.db2.gz KSHDHNUEZJQRPR-BDAKNGLRSA-N 2 2 348.266 2.836 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178626860 232316126 /nfs/dbraw/zinc/31/61/26/232316126.db2.gz IFPXBWPUJONTSD-RHSMWYFYSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178626860 232316133 /nfs/dbraw/zinc/31/61/33/232316133.db2.gz IFPXBWPUJONTSD-RHSMWYFYSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178626860 232316138 /nfs/dbraw/zinc/31/61/38/232316138.db2.gz IFPXBWPUJONTSD-RHSMWYFYSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178626860 232316142 /nfs/dbraw/zinc/31/61/42/232316142.db2.gz IFPXBWPUJONTSD-RHSMWYFYSA-N 2 2 333.432 2.910 20 5 EFBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874493 244382569 /nfs/dbraw/zinc/38/25/69/244382569.db2.gz BAZGGTBCCMXBKI-OALUTQOASA-N 2 2 341.411 2.839 20 5 EFBDLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]1 ZINC000414945040 244397168 /nfs/dbraw/zinc/39/71/68/244397168.db2.gz PPZPBLBYKXDCMY-SFHVURJKSA-N 2 2 345.399 2.713 20 5 EFBDLP C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375143 248232578 /nfs/dbraw/zinc/23/25/78/248232578.db2.gz ZWGBTBCTXKCEPR-NHYWBVRUSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375143 248232581 /nfs/dbraw/zinc/23/25/81/248232581.db2.gz ZWGBTBCTXKCEPR-NHYWBVRUSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000449265544 250976601 /nfs/dbraw/zinc/97/66/01/250976601.db2.gz SBRUFKKRENKZSX-XUWXXGDYSA-N 2 2 344.415 2.769 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000468650443 256017722 /nfs/dbraw/zinc/01/77/22/256017722.db2.gz HFHHBGKEWBBMSE-QHVUTBCBSA-N 2 2 347.459 2.945 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000468650443 256017725 /nfs/dbraw/zinc/01/77/25/256017725.db2.gz HFHHBGKEWBBMSE-QHVUTBCBSA-N 2 2 347.459 2.945 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000344916296 533384792 /nfs/dbraw/zinc/38/47/92/533384792.db2.gz VPNWLMNMWNRBBC-IZNAZMGOSA-N 2 2 333.432 2.556 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000344855910 533409554 /nfs/dbraw/zinc/40/95/54/533409554.db2.gz LDBNYKJUDBGPNX-ASNKMWSDSA-N 2 2 333.432 2.699 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479172 150128456 /nfs/dbraw/zinc/12/84/56/150128456.db2.gz RHJPVOKLFFTZPC-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479172 150128460 /nfs/dbraw/zinc/12/84/60/150128460.db2.gz RHJPVOKLFFTZPC-CYBMUJFWSA-N 2 2 332.379 2.922 20 5 EFBDLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000374146008 151291008 /nfs/dbraw/zinc/29/10/08/151291008.db2.gz VKDFGGGEYBIVQE-AWEZNQCLSA-N 2 2 330.388 2.776 20 5 EFBDLP CCC[N@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506341 266288207 /nfs/dbraw/zinc/28/82/07/266288207.db2.gz IFBVTPBYHYKVOR-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CCC[N@@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506341 266288210 /nfs/dbraw/zinc/28/82/10/266288210.db2.gz IFBVTPBYHYKVOR-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CC[C@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547087 266303736 /nfs/dbraw/zinc/30/37/36/266303736.db2.gz QLMOLQYCJLDMTB-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547087 266303738 /nfs/dbraw/zinc/30/37/38/266303738.db2.gz QLMOLQYCJLDMTB-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048083 273170309 /nfs/dbraw/zinc/17/03/09/273170309.db2.gz JYEGNVSKIRSVBR-GOSISDBHSA-N 2 2 347.459 2.754 20 5 EFBDLP COC[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411867 274052907 /nfs/dbraw/zinc/05/29/07/274052907.db2.gz GMMLXVPEJDFSMF-FUHWJXTLSA-N 2 2 333.432 2.675 20 5 EFBDLP [NH3+]C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000414841212 312057308 /nfs/dbraw/zinc/05/73/08/312057308.db2.gz LDOMSZGTGQLBGY-UHFFFAOYSA-N 2 2 329.347 2.947 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356418 312364025 /nfs/dbraw/zinc/36/40/25/312364025.db2.gz CUVFCSVNSQEVRU-SFHVURJKSA-N 2 2 333.432 2.958 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356418 312364026 /nfs/dbraw/zinc/36/40/26/312364026.db2.gz CUVFCSVNSQEVRU-SFHVURJKSA-N 2 2 333.432 2.958 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)n1 ZINC000551573080 318210107 /nfs/dbraw/zinc/21/01/07/318210107.db2.gz ZRGUJSYMQCQWMR-HUUCEWRRSA-N 2 2 344.419 2.598 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179651 319146851 /nfs/dbraw/zinc/14/68/51/319146851.db2.gz NROSLARFTSWYTH-QGZVFWFLSA-N 2 2 333.432 2.590 20 5 EFBDLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179651 319146854 /nfs/dbraw/zinc/14/68/54/319146854.db2.gz NROSLARFTSWYTH-QGZVFWFLSA-N 2 2 333.432 2.590 20 5 EFBDLP CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000569072530 319344495 /nfs/dbraw/zinc/34/44/95/319344495.db2.gz BERNVZLFRLCVIW-PMPSAXMXSA-N 2 2 335.452 2.739 20 5 EFBDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000075716932 472188966 /nfs/dbraw/zinc/18/89/66/472188966.db2.gz MYNLBFXUQYXOKA-AWEZNQCLSA-N 2 2 342.399 2.882 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000075739305 472191026 /nfs/dbraw/zinc/19/10/26/472191026.db2.gz KDAYITYLYVDKCE-HZPDHXFCSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000075739305 472191031 /nfs/dbraw/zinc/19/10/31/472191031.db2.gz KDAYITYLYVDKCE-HZPDHXFCSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000075739303 472191066 /nfs/dbraw/zinc/19/10/66/472191066.db2.gz KDAYITYLYVDKCE-JKSUJKDBSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000075739303 472191069 /nfs/dbraw/zinc/19/10/69/472191069.db2.gz KDAYITYLYVDKCE-JKSUJKDBSA-N 2 2 333.432 2.700 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835837 472203738 /nfs/dbraw/zinc/20/37/38/472203738.db2.gz XAAWECVKULJYJI-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835837 472203744 /nfs/dbraw/zinc/20/37/44/472203744.db2.gz XAAWECVKULJYJI-HNNXBMFYSA-N 2 2 333.432 2.911 20 5 EFBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000092253955 472884142 /nfs/dbraw/zinc/88/41/42/472884142.db2.gz BKNTVLLIYKTIKF-LBPRGKRZSA-N 2 2 343.374 2.970 20 5 EFBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000092253955 472884148 /nfs/dbraw/zinc/88/41/48/472884148.db2.gz BKNTVLLIYKTIKF-LBPRGKRZSA-N 2 2 343.374 2.970 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000092253955 472884155 /nfs/dbraw/zinc/88/41/55/472884155.db2.gz BKNTVLLIYKTIKF-LBPRGKRZSA-N 2 2 343.374 2.970 20 5 EFBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253955 472884160 /nfs/dbraw/zinc/88/41/60/472884160.db2.gz BKNTVLLIYKTIKF-LBPRGKRZSA-N 2 2 343.374 2.970 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566431 473159408 /nfs/dbraw/zinc/15/94/08/473159408.db2.gz HAGUXFSHPZSZOU-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566431 473159415 /nfs/dbraw/zinc/15/94/15/473159415.db2.gz HAGUXFSHPZSZOU-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737935 473716720 /nfs/dbraw/zinc/71/67/20/473716720.db2.gz XLVLLPIXEBETEZ-GOSISDBHSA-N 2 2 333.432 2.673 20 5 EFBDLP C[NH+]1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000173359613 473816073 /nfs/dbraw/zinc/81/60/73/473816073.db2.gz ZWIWPROVMGMMRR-UHFFFAOYSA-N 2 2 332.429 2.902 20 5 EFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282121205 473952859 /nfs/dbraw/zinc/95/28/59/473952859.db2.gz JLWIXUJBZFQBPH-HOTGVXAUSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282121205 473952868 /nfs/dbraw/zinc/95/28/68/473952868.db2.gz JLWIXUJBZFQBPH-HOTGVXAUSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282130964 473955188 /nfs/dbraw/zinc/95/51/88/473955188.db2.gz KDAYITYLYVDKCE-HOTGVXAUSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282130964 473955190 /nfs/dbraw/zinc/95/51/90/473955190.db2.gz KDAYITYLYVDKCE-HOTGVXAUSA-N 2 2 333.432 2.700 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997799 474503152 /nfs/dbraw/zinc/50/31/52/474503152.db2.gz PKWKVCIVIAJYOG-MJGOQNOKSA-N 2 2 347.459 2.919 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997799 474503158 /nfs/dbraw/zinc/50/31/58/474503158.db2.gz PKWKVCIVIAJYOG-MJGOQNOKSA-N 2 2 347.459 2.919 20 5 EFBDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154137 474706574 /nfs/dbraw/zinc/70/65/74/474706574.db2.gz VEIJFRYGTQOART-STQMWFEESA-N 2 2 349.456 2.896 20 5 EFBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154134 474707081 /nfs/dbraw/zinc/70/70/81/474707081.db2.gz VEIJFRYGTQOART-CHWSQXEVSA-N 2 2 349.456 2.896 20 5 EFBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272280 474899184 /nfs/dbraw/zinc/89/91/84/474899184.db2.gz SZVFVXGAUNUAIR-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272280 474899192 /nfs/dbraw/zinc/89/91/92/474899192.db2.gz SZVFVXGAUNUAIR-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810942 474994468 /nfs/dbraw/zinc/99/44/68/474994468.db2.gz KDIYOUJVTFONGM-BZSNNMDCSA-N 2 2 333.432 2.889 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810942 474994475 /nfs/dbraw/zinc/99/44/75/474994475.db2.gz KDIYOUJVTFONGM-BZSNNMDCSA-N 2 2 333.432 2.889 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000347373183 475275021 /nfs/dbraw/zinc/27/50/21/475275021.db2.gz WSVOSGMEKUDPHH-RVDMUPIBSA-N 2 2 341.415 2.539 20 5 EFBDLP C[NH+](C)Cc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348679662 475813849 /nfs/dbraw/zinc/81/38/49/475813849.db2.gz ZXYDCADZGBTHTC-UHFFFAOYSA-N 2 2 334.445 2.787 20 5 EFBDLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348679662 475813860 /nfs/dbraw/zinc/81/38/60/475813860.db2.gz ZXYDCADZGBTHTC-UHFFFAOYSA-N 2 2 334.445 2.787 20 5 EFBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830784 475895097 /nfs/dbraw/zinc/89/50/97/475895097.db2.gz PCKDITRQJBWYCS-ZLKJLUDKSA-N 2 2 341.358 2.755 20 5 EFBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830784 475895101 /nfs/dbraw/zinc/89/51/01/475895101.db2.gz PCKDITRQJBWYCS-ZLKJLUDKSA-N 2 2 341.358 2.755 20 5 EFBDLP CC[NH+](CC)CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353437417 475966495 /nfs/dbraw/zinc/96/64/95/475966495.db2.gz RCJATDAGSRAFGD-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499499 476023695 /nfs/dbraw/zinc/02/36/95/476023695.db2.gz USBUKNHABKDSOM-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499499 476023703 /nfs/dbraw/zinc/02/37/03/476023703.db2.gz USBUKNHABKDSOM-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CCC[N@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518018 476039146 /nfs/dbraw/zinc/03/91/46/476039146.db2.gz KBOZKJSGOJCNNW-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CCC[N@@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518018 476039156 /nfs/dbraw/zinc/03/91/56/476039156.db2.gz KBOZKJSGOJCNNW-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000347195539 476164604 /nfs/dbraw/zinc/16/46/04/476164604.db2.gz HCMUTTKYCCEZKB-HNNXBMFYSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000347195539 476164614 /nfs/dbraw/zinc/16/46/14/476164614.db2.gz HCMUTTKYCCEZKB-HNNXBMFYSA-N 2 2 329.356 2.652 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051322 476189205 /nfs/dbraw/zinc/18/92/05/476189205.db2.gz MZLUGOBTLIHPSF-KGLIPLIRSA-N 2 2 344.440 2.760 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051322 476189214 /nfs/dbraw/zinc/18/92/14/476189214.db2.gz MZLUGOBTLIHPSF-KGLIPLIRSA-N 2 2 344.440 2.760 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000365622402 476651873 /nfs/dbraw/zinc/65/18/73/476651873.db2.gz FNMBNESXQOSTGP-LBPRGKRZSA-N 2 2 348.378 2.856 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000365622402 476651877 /nfs/dbraw/zinc/65/18/77/476651877.db2.gz FNMBNESXQOSTGP-LBPRGKRZSA-N 2 2 348.378 2.856 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063046 476653709 /nfs/dbraw/zinc/65/37/09/476653709.db2.gz OEOINPQUVZCSMT-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950160 476860435 /nfs/dbraw/zinc/86/04/35/476860435.db2.gz XFIPHKZQIBIENC-XJKSGUPXSA-N 2 2 329.400 2.652 20 5 EFBDLP COc1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430574251 476864491 /nfs/dbraw/zinc/86/44/91/476864491.db2.gz SDCXSGFGPDVGGI-HNNXBMFYSA-N 2 2 347.362 2.668 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578748 476867396 /nfs/dbraw/zinc/86/73/96/476867396.db2.gz BHYVNLMYTUMCJV-ZIAGYGMSSA-N 2 2 336.436 2.535 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578748 476867404 /nfs/dbraw/zinc/86/74/04/476867404.db2.gz BHYVNLMYTUMCJV-ZIAGYGMSSA-N 2 2 336.436 2.535 20 5 EFBDLP CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH2+]CC1 ZINC000431109784 476979736 /nfs/dbraw/zinc/97/97/36/476979736.db2.gz XMGCWOZXCXKKAU-UHFFFAOYSA-N 2 2 345.403 2.609 20 5 EFBDLP CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH2+]CC1 ZINC000431109784 476979740 /nfs/dbraw/zinc/97/97/40/476979740.db2.gz XMGCWOZXCXKKAU-UHFFFAOYSA-N 2 2 345.403 2.609 20 5 EFBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514496 477055950 /nfs/dbraw/zinc/05/59/50/477055950.db2.gz DDBCEFXGOSMHMQ-QWHCGFSZSA-N 2 2 347.440 2.962 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026615 477119755 /nfs/dbraw/zinc/11/97/55/477119755.db2.gz JBQIGZOXFOYULG-XHSDSOJGSA-N 2 2 349.479 2.985 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026615 477119761 /nfs/dbraw/zinc/11/97/61/477119761.db2.gz JBQIGZOXFOYULG-XHSDSOJGSA-N 2 2 349.479 2.985 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432328343 477194156 /nfs/dbraw/zinc/19/41/56/477194156.db2.gz WPTXYRLCVMAYBM-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389751 477220311 /nfs/dbraw/zinc/22/03/11/477220311.db2.gz GKWQHYUVHRDMJQ-HUUCEWRRSA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389751 477220314 /nfs/dbraw/zinc/22/03/14/477220314.db2.gz GKWQHYUVHRDMJQ-HUUCEWRRSA-N 2 2 335.452 2.739 20 5 EFBDLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000433240008 477319415 /nfs/dbraw/zinc/31/94/15/477319415.db2.gz JZWUZBFFFFJCRW-KBXCAEBGSA-N 2 2 347.459 2.875 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413170032 477552168 /nfs/dbraw/zinc/55/21/68/477552168.db2.gz LJGSQJHJQLKIJH-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CC[N@H+](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000534497362 478155274 /nfs/dbraw/zinc/15/52/74/478155274.db2.gz DBZMGNFAJFNCKW-UHFFFAOYSA-N 2 2 343.431 2.924 20 5 EFBDLP CC[N@@H+](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000534497362 478155280 /nfs/dbraw/zinc/15/52/80/478155280.db2.gz DBZMGNFAJFNCKW-UHFFFAOYSA-N 2 2 343.431 2.924 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498782 478411570 /nfs/dbraw/zinc/41/15/70/478411570.db2.gz LIHNPIPELGLGGL-PBHICJAKSA-N 2 2 333.432 2.807 20 5 EFBDLP Cc1noc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000595460791 478798429 /nfs/dbraw/zinc/79/84/29/478798429.db2.gz HWFYJFSZBJUXGJ-UHFFFAOYSA-N 2 2 332.360 2.638 20 5 EFBDLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000595512810 478829761 /nfs/dbraw/zinc/82/97/61/478829761.db2.gz ZAUMIXBFKKOGIY-OAHLLOKOSA-N 2 2 335.448 2.728 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428810 478891651 /nfs/dbraw/zinc/89/16/51/478891651.db2.gz VOUZLIILTHAXHK-MLGOLLRUSA-N 2 2 347.440 2.871 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428810 478891655 /nfs/dbraw/zinc/89/16/55/478891655.db2.gz VOUZLIILTHAXHK-MLGOLLRUSA-N 2 2 347.440 2.871 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565373405 478992166 /nfs/dbraw/zinc/99/21/66/478992166.db2.gz VBCZCESZNTWYMC-HNSSHINMSA-N 2 2 345.443 2.795 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565373405 478992173 /nfs/dbraw/zinc/99/21/73/478992173.db2.gz VBCZCESZNTWYMC-HNSSHINMSA-N 2 2 345.443 2.795 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032217 479135043 /nfs/dbraw/zinc/13/50/43/479135043.db2.gz MIUVIZMYWDNILS-HNNXBMFYSA-N 2 2 347.459 2.791 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000611268138 479330658 /nfs/dbraw/zinc/33/06/58/479330658.db2.gz SLFDJOLEYVUMQD-AWEZNQCLSA-N 2 2 346.387 2.646 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000611268138 479330661 /nfs/dbraw/zinc/33/06/61/479330661.db2.gz SLFDJOLEYVUMQD-AWEZNQCLSA-N 2 2 346.387 2.646 20 5 EFBDLP CC(C)C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000602511226 479374568 /nfs/dbraw/zinc/37/45/68/479374568.db2.gz NMRJDGXKFZUIJV-QGZVFWFLSA-N 2 2 349.479 2.525 20 5 EFBDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545184 479390697 /nfs/dbraw/zinc/39/06/97/479390697.db2.gz NSWQEHQGNIIDTL-CYBMUJFWSA-N 2 2 332.404 2.946 20 5 EFBDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545184 479390701 /nfs/dbraw/zinc/39/07/01/479390701.db2.gz NSWQEHQGNIIDTL-CYBMUJFWSA-N 2 2 332.404 2.946 20 5 EFBDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560941 479397924 /nfs/dbraw/zinc/39/79/24/479397924.db2.gz OHFGPPWQXOASKR-DTWKUNHWSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602560941 479397928 /nfs/dbraw/zinc/39/79/28/479397928.db2.gz OHFGPPWQXOASKR-DTWKUNHWSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560942 479398555 /nfs/dbraw/zinc/39/85/55/479398555.db2.gz OHFGPPWQXOASKR-IUCAKERBSA-N 2 2 348.266 2.991 20 5 EFBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602560942 479398558 /nfs/dbraw/zinc/39/85/58/479398558.db2.gz OHFGPPWQXOASKR-IUCAKERBSA-N 2 2 348.266 2.991 20 5 EFBDLP O=[N+]([O-])c1sc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000602594494 479415143 /nfs/dbraw/zinc/41/51/43/479415143.db2.gz XUTDWJNSOBGBMA-UHFFFAOYSA-N 2 2 348.266 2.994 20 5 EFBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602621674 479428972 /nfs/dbraw/zinc/42/89/72/479428972.db2.gz ISNOBYVEZQMJSZ-LBPRGKRZSA-N 2 2 340.305 2.915 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730827 479438346 /nfs/dbraw/zinc/43/83/46/479438346.db2.gz HZJITJJLQNGRLA-YJBOKZPZSA-N 2 2 333.432 2.943 20 5 EFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730827 479438351 /nfs/dbraw/zinc/43/83/51/479438351.db2.gz HZJITJJLQNGRLA-YJBOKZPZSA-N 2 2 333.432 2.943 20 5 EFBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665430 479460047 /nfs/dbraw/zinc/46/00/47/479460047.db2.gz JHSAVIJRYKBQDB-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665430 479460050 /nfs/dbraw/zinc/46/00/50/479460050.db2.gz JHSAVIJRYKBQDB-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665430 479460055 /nfs/dbraw/zinc/46/00/55/479460055.db2.gz JHSAVIJRYKBQDB-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665430 479460056 /nfs/dbraw/zinc/46/00/56/479460056.db2.gz JHSAVIJRYKBQDB-DOMZBBRYSA-N 2 2 330.388 2.652 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCCCC2)n1 ZINC000618562105 479492580 /nfs/dbraw/zinc/49/25/80/479492580.db2.gz YXZQLYHTPWETKN-HOTGVXAUSA-N 2 2 335.452 2.741 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000618567937 479495229 /nfs/dbraw/zinc/49/52/29/479495229.db2.gz MJLDXJKWEWPWBE-BHYGNILZSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000618567937 479495234 /nfs/dbraw/zinc/49/52/34/479495234.db2.gz MJLDXJKWEWPWBE-BHYGNILZSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000602715047 479499883 /nfs/dbraw/zinc/49/98/83/479499883.db2.gz LZHWSXGOCNOCGJ-CQSZACIVSA-N 2 2 344.415 2.948 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000602715047 479499893 /nfs/dbraw/zinc/49/98/93/479499893.db2.gz LZHWSXGOCNOCGJ-CQSZACIVSA-N 2 2 344.415 2.948 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590601425 479667158 /nfs/dbraw/zinc/66/71/58/479667158.db2.gz WJHSMIZCXOXGLU-HZPDHXFCSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590601425 479667159 /nfs/dbraw/zinc/66/71/59/479667159.db2.gz WJHSMIZCXOXGLU-HZPDHXFCSA-N 2 2 333.432 2.843 20 5 EFBDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420546 480302072 /nfs/dbraw/zinc/30/20/72/480302072.db2.gz PDHUQVXGONFXSQ-KBXCAEBGSA-N 2 2 333.432 2.889 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240718 520777212 /nfs/dbraw/zinc/77/72/12/520777212.db2.gz AYCSUHCETAJMIQ-CRAIPNDOSA-N 2 2 335.448 2.994 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240591 521159917 /nfs/dbraw/zinc/15/99/17/521159917.db2.gz AYCSUHCETAJMIQ-QAPCUYQASA-N 2 2 335.448 2.994 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225966 528177427 /nfs/dbraw/zinc/17/74/27/528177427.db2.gz NYZARMQUQXNYTB-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225966 528177429 /nfs/dbraw/zinc/17/74/29/528177429.db2.gz NYZARMQUQXNYTB-AWEZNQCLSA-N 2 2 349.431 2.625 20 5 EFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039159 576539503 /nfs/dbraw/zinc/53/95/03/576539503.db2.gz PRTBNKHFKTWEJE-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039159 576539507 /nfs/dbraw/zinc/53/95/07/576539507.db2.gz PRTBNKHFKTWEJE-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039159 576539508 /nfs/dbraw/zinc/53/95/08/576539508.db2.gz PRTBNKHFKTWEJE-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039159 576539512 /nfs/dbraw/zinc/53/95/12/576539512.db2.gz PRTBNKHFKTWEJE-OAHLLOKOSA-N 2 2 345.447 2.874 20 5 EFBDLP Cc1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000771189648 581185789 /nfs/dbraw/zinc/18/57/89/581185789.db2.gz XJVXNJBGVNYWSL-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638302 581496057 /nfs/dbraw/zinc/49/60/57/581496057.db2.gz GGIWPKCGZIHLCG-UHFFFAOYSA-N 2 2 348.794 2.774 20 5 EFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638302 581496058 /nfs/dbraw/zinc/49/60/58/581496058.db2.gz GGIWPKCGZIHLCG-UHFFFAOYSA-N 2 2 348.794 2.774 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000774877096 581502974 /nfs/dbraw/zinc/50/29/74/581502974.db2.gz WEFBHGOYJGRQIC-AWEZNQCLSA-N 2 2 331.332 2.537 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000774877096 581502975 /nfs/dbraw/zinc/50/29/75/581502975.db2.gz WEFBHGOYJGRQIC-AWEZNQCLSA-N 2 2 331.332 2.537 20 5 EFBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965520 1272559968 /nfs/dbraw/zinc/55/99/68/1272559968.db2.gz AJUWFPVCPJNZIQ-CRAIPNDOSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001170329256 1279020099 /nfs/dbraw/zinc/02/00/99/1279020099.db2.gz YLACHUKJBQXTIU-ZDUSSCGKSA-N 2 2 340.383 2.972 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCn2cc[nH+]c2)c1F ZINC001173174842 1286451338 /nfs/dbraw/zinc/45/13/38/1286451338.db2.gz DNPPWCYXGOJSTD-LBPRGKRZSA-N 2 2 336.367 2.550 20 5 EFBDLP O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000886122824 1294713560 /nfs/dbraw/zinc/71/35/60/1294713560.db2.gz KYRFTIIYMSLKOM-UHFFFAOYSA-N 2 2 329.404 2.879 20 5 EFBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134570 1295288259 /nfs/dbraw/zinc/28/82/59/1295288259.db2.gz LXVAFRLUIKORSH-ZDUSSCGKSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134570 1295288266 /nfs/dbraw/zinc/28/82/66/1295288266.db2.gz LXVAFRLUIKORSH-ZDUSSCGKSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135237 1295289124 /nfs/dbraw/zinc/28/91/24/1295289124.db2.gz YWHKXZFYHIRWGG-ZDUSSCGKSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135237 1295289130 /nfs/dbraw/zinc/28/91/30/1295289130.db2.gz YWHKXZFYHIRWGG-ZDUSSCGKSA-N 2 2 330.363 2.840 20 5 EFBDLP COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001236350326 1313473028 /nfs/dbraw/zinc/47/30/28/1313473028.db2.gz RSLZUCBAKRMVNU-VQTJNVASSA-N 2 2 334.419 2.925 20 5 EFBDLP COC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001236350326 1313473031 /nfs/dbraw/zinc/47/30/31/1313473031.db2.gz RSLZUCBAKRMVNU-VQTJNVASSA-N 2 2 334.419 2.925 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850711 1300789143 /nfs/dbraw/zinc/78/91/43/1300789143.db2.gz JGDLQECLHAZFLN-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850711 1300789151 /nfs/dbraw/zinc/78/91/51/1300789151.db2.gz JGDLQECLHAZFLN-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850711 1300789154 /nfs/dbraw/zinc/78/91/54/1300789154.db2.gz JGDLQECLHAZFLN-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850711 1300789158 /nfs/dbraw/zinc/78/91/58/1300789158.db2.gz JGDLQECLHAZFLN-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)c1F ZINC001246507268 1314639334 /nfs/dbraw/zinc/63/93/34/1314639334.db2.gz MNQZZYZABAXHED-SWLSCSKDSA-N 2 2 347.390 2.963 20 5 EFBDLP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582736 1314652559 /nfs/dbraw/zinc/65/25/59/1314652559.db2.gz SPCWXQQVNUPKOI-SUMWQHHRSA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582736 1314652564 /nfs/dbraw/zinc/65/25/64/1314652564.db2.gz SPCWXQQVNUPKOI-SUMWQHHRSA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582734 1314652575 /nfs/dbraw/zinc/65/25/75/1314652575.db2.gz SPCWXQQVNUPKOI-DYVFJYSZSA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582734 1314652580 /nfs/dbraw/zinc/65/25/80/1314652580.db2.gz SPCWXQQVNUPKOI-DYVFJYSZSA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906486 1314706498 /nfs/dbraw/zinc/70/64/98/1314706498.db2.gz BWTCKQCPIXQKQP-SJCJKPOMSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906486 1314706502 /nfs/dbraw/zinc/70/65/02/1314706502.db2.gz BWTCKQCPIXQKQP-SJCJKPOMSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906484 1314706810 /nfs/dbraw/zinc/70/68/10/1314706810.db2.gz BWTCKQCPIXQKQP-PXAZEXFGSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906484 1314706814 /nfs/dbraw/zinc/70/68/14/1314706814.db2.gz BWTCKQCPIXQKQP-PXAZEXFGSA-N 2 2 339.411 2.747 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000892460527 717628231 /nfs/dbraw/zinc/62/82/31/717628231.db2.gz RPKYAZUMBZLLIT-UHFFFAOYSA-N 2 2 337.420 2.521 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892633772 718359774 /nfs/dbraw/zinc/35/97/74/718359774.db2.gz YGTOXJIDQFSKPJ-CYBMUJFWSA-N 2 2 337.420 2.521 20 5 EFBDLP C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806896 1089469356 /nfs/dbraw/zinc/46/93/56/1089469356.db2.gz KSHDHNUEZJQRPR-IUCAKERBSA-N 2 2 348.266 2.836 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806896 1089469362 /nfs/dbraw/zinc/46/93/62/1089469362.db2.gz KSHDHNUEZJQRPR-IUCAKERBSA-N 2 2 348.266 2.836 20 5 EFBDLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352622297 282203874 /nfs/dbraw/zinc/20/38/74/282203874.db2.gz ZQYYSPXQHFJQEG-UHFFFAOYSA-N 2 2 330.388 2.775 20 5 EFBDLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352622297 282203878 /nfs/dbraw/zinc/20/38/78/282203878.db2.gz ZQYYSPXQHFJQEG-UHFFFAOYSA-N 2 2 330.388 2.775 20 5 EFBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359516 243236197 /nfs/dbraw/zinc/23/61/97/243236197.db2.gz KJJZFNMGTBUDCZ-STQMWFEESA-N 2 2 345.403 2.589 20 5 EFBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359516 243236208 /nfs/dbraw/zinc/23/62/08/243236208.db2.gz KJJZFNMGTBUDCZ-STQMWFEESA-N 2 2 345.403 2.589 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]CC3([NH3+])CCC3)o2)c([N+](=O)[O-])c1 ZINC000414876965 244383952 /nfs/dbraw/zinc/38/39/52/244383952.db2.gz MBSYFVUTFSRHNA-UHFFFAOYSA-N 2 2 331.372 2.834 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427858045 247403443 /nfs/dbraw/zinc/40/34/43/247403443.db2.gz RYPWPFXFUUQQIF-HZPDHXFCSA-N 2 2 326.400 2.717 20 5 EFBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372768 248232615 /nfs/dbraw/zinc/23/26/15/248232615.db2.gz SKKOVKIOBRSZRQ-VXGBXAGGSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372768 248232618 /nfs/dbraw/zinc/23/26/18/248232618.db2.gz SKKOVKIOBRSZRQ-VXGBXAGGSA-N 2 2 332.429 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435384998 248234239 /nfs/dbraw/zinc/23/42/39/248234239.db2.gz PEKMCCDWSMMBIO-APHBMKBZSA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435384998 248234240 /nfs/dbraw/zinc/23/42/40/248234240.db2.gz PEKMCCDWSMMBIO-APHBMKBZSA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388466 248235947 /nfs/dbraw/zinc/23/59/47/248235947.db2.gz HBBKFPVWVBSPPS-LBPRGKRZSA-N 2 2 332.429 2.889 20 5 EFBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388466 248235951 /nfs/dbraw/zinc/23/59/51/248235951.db2.gz HBBKFPVWVBSPPS-LBPRGKRZSA-N 2 2 332.429 2.889 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152696 141460634 /nfs/dbraw/zinc/46/06/34/141460634.db2.gz UQKBHRYPVNTXMA-DOTOQJQBSA-N 2 2 335.448 2.647 20 5 EFBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924282 146350050 /nfs/dbraw/zinc/35/00/50/146350050.db2.gz YYPPMVZKMHWXKF-ONXXMXGDSA-N 2 2 329.404 2.528 20 5 EFBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924282 146350052 /nfs/dbraw/zinc/35/00/52/146350052.db2.gz YYPPMVZKMHWXKF-ONXXMXGDSA-N 2 2 329.404 2.528 20 5 EFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924282 146350054 /nfs/dbraw/zinc/35/00/54/146350054.db2.gz YYPPMVZKMHWXKF-ONXXMXGDSA-N 2 2 329.404 2.528 20 5 EFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924282 146350055 /nfs/dbraw/zinc/35/00/55/146350055.db2.gz YYPPMVZKMHWXKF-ONXXMXGDSA-N 2 2 329.404 2.528 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479173 150127632 /nfs/dbraw/zinc/12/76/32/150127632.db2.gz RHJPVOKLFFTZPC-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479173 150127634 /nfs/dbraw/zinc/12/76/34/150127634.db2.gz RHJPVOKLFFTZPC-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233478 151138212 /nfs/dbraw/zinc/13/82/12/151138212.db2.gz VXQQOFYNHMTUMZ-CYBMUJFWSA-N 2 2 345.359 2.616 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233478 151138214 /nfs/dbraw/zinc/13/82/14/151138214.db2.gz VXQQOFYNHMTUMZ-CYBMUJFWSA-N 2 2 345.359 2.616 20 5 EFBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612050 267211815 /nfs/dbraw/zinc/21/18/15/267211815.db2.gz AUUSWTNCLRVRJS-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612050 267211817 /nfs/dbraw/zinc/21/18/17/267211817.db2.gz AUUSWTNCLRVRJS-ZDUSSCGKSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000433240010 274491554 /nfs/dbraw/zinc/49/15/54/274491554.db2.gz JZWUZBFFFFJCRW-KDOFPFPSSA-N 2 2 347.459 2.875 20 5 EFBDLP CC(C)c1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000076898005 278037485 /nfs/dbraw/zinc/03/74/85/278037485.db2.gz NSYQSYZEDOTYFD-OAHLLOKOSA-N 2 2 335.448 2.919 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000127853711 293083725 /nfs/dbraw/zinc/08/37/25/293083725.db2.gz ZSKVJMKIVZOMLN-UHFFFAOYSA-N 2 2 344.415 2.818 20 5 EFBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423177519 303003992 /nfs/dbraw/zinc/00/39/92/303003992.db2.gz IZGPQWDVERWTCU-MRXNPFEDSA-N 2 2 343.431 2.669 20 5 EFBDLP CC1CC[NH+](C[C@@H](O)CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145324 312046505 /nfs/dbraw/zinc/04/65/05/312046505.db2.gz ZQEDBDWCLSFQLD-INIZCTEOSA-N 2 2 344.415 2.648 20 5 EFBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415066233 312087124 /nfs/dbraw/zinc/08/71/24/312087124.db2.gz OFEDOLVCXRKBJB-MRXNPFEDSA-N 2 2 329.400 2.955 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000417327020 312209460 /nfs/dbraw/zinc/20/94/60/312209460.db2.gz DLEXYLNHLSGFAX-IEBWSBKVSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCCC2 ZINC000417327020 312209461 /nfs/dbraw/zinc/20/94/61/312209461.db2.gz DLEXYLNHLSGFAX-IEBWSBKVSA-N 2 2 347.459 2.799 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531931488 317334019 /nfs/dbraw/zinc/33/40/19/317334019.db2.gz OMUAXRBRAYHNPC-NVXWUHKLSA-N 2 2 335.448 2.911 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531931488 317334023 /nfs/dbraw/zinc/33/40/23/317334023.db2.gz OMUAXRBRAYHNPC-NVXWUHKLSA-N 2 2 335.448 2.911 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000565755278 318998484 /nfs/dbraw/zinc/99/84/84/318998484.db2.gz ISSXOKHJOJEKHR-CABCVRRESA-N 2 2 332.408 2.542 20 5 EFBDLP Cc1ccc(CCC[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c[nH+]1 ZINC000459625733 478015690 /nfs/dbraw/zinc/01/56/90/478015690.db2.gz YGZSRRUJGWKLGB-UHFFFAOYSA-N 2 2 327.384 2.994 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000619846038 479896490 /nfs/dbraw/zinc/89/64/90/479896490.db2.gz BQJGZBZXJNBOMS-IMXKFXGHSA-N 2 2 345.443 2.652 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000619846038 479896496 /nfs/dbraw/zinc/89/64/96/479896496.db2.gz BQJGZBZXJNBOMS-IMXKFXGHSA-N 2 2 345.443 2.652 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000613379045 479980663 /nfs/dbraw/zinc/98/06/63/479980663.db2.gz XWJLKJRVSZFOFN-CYBMUJFWSA-N 2 2 334.351 2.776 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000613379045 479980669 /nfs/dbraw/zinc/98/06/69/479980669.db2.gz XWJLKJRVSZFOFN-CYBMUJFWSA-N 2 2 334.351 2.776 20 5 EFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857603 472452546 /nfs/dbraw/zinc/45/25/46/472452546.db2.gz JLWIXUJBZFQBPH-JKSUJKDBSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857603 472452555 /nfs/dbraw/zinc/45/25/55/472452555.db2.gz JLWIXUJBZFQBPH-JKSUJKDBSA-N 2 2 333.432 2.700 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158927342 472979958 /nfs/dbraw/zinc/97/99/58/472979958.db2.gz RAYJMHMBQSJONX-WBVHZDCISA-N 2 2 335.448 2.647 20 5 EFBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000050954401 473014648 /nfs/dbraw/zinc/01/46/48/473014648.db2.gz KFYZOAZLLKDCKS-UHFFFAOYSA-N 2 2 336.411 2.704 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052005252 473079244 /nfs/dbraw/zinc/07/92/44/473079244.db2.gz HJDNSFLDEQGJGR-UHFFFAOYSA-N 2 2 333.432 2.924 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123798042 473186412 /nfs/dbraw/zinc/18/64/12/473186412.db2.gz FJPQCVMRVXHTHF-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123798042 473186414 /nfs/dbraw/zinc/18/64/14/473186414.db2.gz FJPQCVMRVXHTHF-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000152439568 473562583 /nfs/dbraw/zinc/56/25/83/473562583.db2.gz LJUMBNFPAVPCQL-LSDHHAIUSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000152439568 473562587 /nfs/dbraw/zinc/56/25/87/473562587.db2.gz LJUMBNFPAVPCQL-LSDHHAIUSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439568 473562592 /nfs/dbraw/zinc/56/25/92/473562592.db2.gz LJUMBNFPAVPCQL-LSDHHAIUSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439568 473562598 /nfs/dbraw/zinc/56/25/98/473562598.db2.gz LJUMBNFPAVPCQL-LSDHHAIUSA-N 2 2 348.447 2.504 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000192884659 473741977 /nfs/dbraw/zinc/74/19/77/473741977.db2.gz MBEXJAJTXVCAPB-KDOFPFPSSA-N 2 2 333.432 2.530 20 5 EFBDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000269693249 473862856 /nfs/dbraw/zinc/86/28/56/473862856.db2.gz WPUYVHYUZOPKLJ-UHFFFAOYSA-N 2 2 346.475 2.585 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000246619689 473917422 /nfs/dbraw/zinc/91/74/22/473917422.db2.gz QLBWLWZICNVXRE-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000246619689 473917424 /nfs/dbraw/zinc/91/74/24/473917424.db2.gz QLBWLWZICNVXRE-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000246880934 473990978 /nfs/dbraw/zinc/99/09/78/473990978.db2.gz LJUMBNFPAVPCQL-CABCVRRESA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000246880934 473990980 /nfs/dbraw/zinc/99/09/80/473990980.db2.gz LJUMBNFPAVPCQL-CABCVRRESA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880934 473990990 /nfs/dbraw/zinc/99/09/90/473990990.db2.gz LJUMBNFPAVPCQL-CABCVRRESA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880934 473990992 /nfs/dbraw/zinc/99/09/92/473990992.db2.gz LJUMBNFPAVPCQL-CABCVRRESA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1cccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000275513373 474216761 /nfs/dbraw/zinc/21/67/61/474216761.db2.gz VDHJMZCXBHBNDS-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152704 474704020 /nfs/dbraw/zinc/70/40/20/474704020.db2.gz UQKBHRYPVNTXMA-WBVHZDCISA-N 2 2 335.448 2.647 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293029571 474773479 /nfs/dbraw/zinc/77/34/79/474773479.db2.gz RLVVSGJGXIUHGL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293029571 474773488 /nfs/dbraw/zinc/77/34/88/474773488.db2.gz RLVVSGJGXIUHGL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293029571 474773495 /nfs/dbraw/zinc/77/34/95/474773495.db2.gz RLVVSGJGXIUHGL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293029571 474773504 /nfs/dbraw/zinc/77/35/04/474773504.db2.gz RLVVSGJGXIUHGL-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386338 480156322 /nfs/dbraw/zinc/15/63/22/480156322.db2.gz POFOSBJNEHTAOR-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386338 480156330 /nfs/dbraw/zinc/15/63/30/480156330.db2.gz POFOSBJNEHTAOR-OAHLLOKOSA-N 2 2 348.447 2.694 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251138 475576172 /nfs/dbraw/zinc/57/61/72/475576172.db2.gz UFEQWEFPENCCKW-OLZOCXBDSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251138 475576179 /nfs/dbraw/zinc/57/61/79/475576179.db2.gz UFEQWEFPENCCKW-OLZOCXBDSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251138 475576187 /nfs/dbraw/zinc/57/61/87/475576187.db2.gz UFEQWEFPENCCKW-OLZOCXBDSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251138 475576193 /nfs/dbraw/zinc/57/61/93/475576193.db2.gz UFEQWEFPENCCKW-OLZOCXBDSA-N 2 2 331.420 2.776 20 5 EFBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831332 475895256 /nfs/dbraw/zinc/89/52/56/475895256.db2.gz KTNNJIWZEUEEBQ-HZPDHXFCSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831332 475895263 /nfs/dbraw/zinc/89/52/63/475895263.db2.gz KTNNJIWZEUEEBQ-HZPDHXFCSA-N 2 2 345.399 2.793 20 5 EFBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830780 475895279 /nfs/dbraw/zinc/89/52/79/475895279.db2.gz PCKDITRQJBWYCS-LEWSCRJBSA-N 2 2 341.358 2.755 20 5 EFBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830780 475895291 /nfs/dbraw/zinc/89/52/91/475895291.db2.gz PCKDITRQJBWYCS-LEWSCRJBSA-N 2 2 341.358 2.755 20 5 EFBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855781 475915783 /nfs/dbraw/zinc/91/57/83/475915783.db2.gz VRTDCCONMPVWDE-HOTGVXAUSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855781 475915791 /nfs/dbraw/zinc/91/57/91/475915791.db2.gz VRTDCCONMPVWDE-HOTGVXAUSA-N 2 2 345.399 2.793 20 5 EFBDLP CC[NH+](CC)CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353437416 475965855 /nfs/dbraw/zinc/96/58/55/475965855.db2.gz RCJATDAGSRAFGD-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499501 476022852 /nfs/dbraw/zinc/02/28/52/476022852.db2.gz USBUKNHABKDSOM-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499501 476022859 /nfs/dbraw/zinc/02/28/59/476022859.db2.gz USBUKNHABKDSOM-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501595 476025719 /nfs/dbraw/zinc/02/57/19/476025719.db2.gz ZVCXHAPRSFAHFD-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501595 476025724 /nfs/dbraw/zinc/02/57/24/476025724.db2.gz ZVCXHAPRSFAHFD-QGZVFWFLSA-N 2 2 345.447 2.738 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042702 476056529 /nfs/dbraw/zinc/05/65/29/476056529.db2.gz LQJPTLHLOTYMTD-WDEREUQCSA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042702 476056534 /nfs/dbraw/zinc/05/65/34/476056534.db2.gz LQJPTLHLOTYMTD-WDEREUQCSA-N 2 2 329.347 2.755 20 5 EFBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347071056 476076922 /nfs/dbraw/zinc/07/69/22/476076922.db2.gz PUCVJPLFKMKHPU-ONXXMXGDSA-N 2 2 341.358 2.911 20 5 EFBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347071056 476076930 /nfs/dbraw/zinc/07/69/30/476076930.db2.gz PUCVJPLFKMKHPU-ONXXMXGDSA-N 2 2 341.358 2.911 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000347110737 476101307 /nfs/dbraw/zinc/10/13/07/476101307.db2.gz XMIJVDMQZMFRNJ-HNNXBMFYSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000347110737 476101316 /nfs/dbraw/zinc/10/13/16/476101316.db2.gz XMIJVDMQZMFRNJ-HNNXBMFYSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178300 476483070 /nfs/dbraw/zinc/48/30/70/476483070.db2.gz VMZRMJBKCIAGQE-GOSISDBHSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178300 476483074 /nfs/dbraw/zinc/48/30/74/476483074.db2.gz VMZRMJBKCIAGQE-GOSISDBHSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178300 476483077 /nfs/dbraw/zinc/48/30/77/476483077.db2.gz VMZRMJBKCIAGQE-GOSISDBHSA-N 2 2 349.431 2.530 20 5 EFBDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178300 476483080 /nfs/dbraw/zinc/48/30/80/476483080.db2.gz VMZRMJBKCIAGQE-GOSISDBHSA-N 2 2 349.431 2.530 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374916800 476592222 /nfs/dbraw/zinc/59/22/22/476592222.db2.gz PSVYAQXTUKIVEP-FUHWJXTLSA-N 2 2 346.475 2.676 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000374916800 476592223 /nfs/dbraw/zinc/59/22/23/476592223.db2.gz PSVYAQXTUKIVEP-FUHWJXTLSA-N 2 2 346.475 2.676 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377887827 476630003 /nfs/dbraw/zinc/63/00/03/476630003.db2.gz HAPZCXQTAIOYQA-CYBMUJFWSA-N 2 2 330.388 2.717 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377887827 476630009 /nfs/dbraw/zinc/63/00/09/476630009.db2.gz HAPZCXQTAIOYQA-CYBMUJFWSA-N 2 2 330.388 2.717 20 5 EFBDLP C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541199 476850783 /nfs/dbraw/zinc/85/07/83/476850783.db2.gz AYFJMAARHZBFSH-CJNGLKHVSA-N 2 2 344.415 2.852 20 5 EFBDLP C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541199 476850788 /nfs/dbraw/zinc/85/07/88/476850788.db2.gz AYFJMAARHZBFSH-CJNGLKHVSA-N 2 2 344.415 2.852 20 5 EFBDLP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950157 476860525 /nfs/dbraw/zinc/86/05/25/476860525.db2.gz XFIPHKZQIBIENC-BBRMVZONSA-N 2 2 329.400 2.652 20 5 EFBDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414948488 476896755 /nfs/dbraw/zinc/89/67/55/476896755.db2.gz XJKPLAVWRBTRLC-ZDUSSCGKSA-N 2 2 345.399 2.619 20 5 EFBDLP CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000430943330 476944001 /nfs/dbraw/zinc/94/40/01/476944001.db2.gz HMUZBOYSBPXTJU-MRXNPFEDSA-N 2 2 344.415 2.866 20 5 EFBDLP CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000430943330 476944013 /nfs/dbraw/zinc/94/40/13/476944013.db2.gz HMUZBOYSBPXTJU-MRXNPFEDSA-N 2 2 344.415 2.866 20 5 EFBDLP CCC([NH3+])(CC)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423293992 476985601 /nfs/dbraw/zinc/98/56/01/476985601.db2.gz SULLRNMGAQYZNO-OAHLLOKOSA-N 2 2 331.420 2.525 20 5 EFBDLP CCCC[C@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304457 476988271 /nfs/dbraw/zinc/98/82/71/476988271.db2.gz YWKSDNXNUXORTI-GDBMZVCRSA-N 2 2 331.420 2.525 20 5 EFBDLP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447545813 477009074 /nfs/dbraw/zinc/00/90/74/477009074.db2.gz YFGJSMKPHOOGOQ-PMPSAXMXSA-N 2 2 337.468 2.841 20 5 EFBDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583789 477018888 /nfs/dbraw/zinc/01/88/88/477018888.db2.gz CILHLBNYWJKZGX-HOTGVXAUSA-N 2 2 329.404 2.811 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000366610614 477096940 /nfs/dbraw/zinc/09/69/40/477096940.db2.gz SNTPHVHLNCUMMB-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000366610614 477096943 /nfs/dbraw/zinc/09/69/43/477096943.db2.gz SNTPHVHLNCUMMB-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316309 477238005 /nfs/dbraw/zinc/23/80/05/477238005.db2.gz CRHFGLANERJBGN-CWRNSKLLSA-N 2 2 349.431 2.507 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316309 477238009 /nfs/dbraw/zinc/23/80/09/477238009.db2.gz CRHFGLANERJBGN-CWRNSKLLSA-N 2 2 349.431 2.507 20 5 EFBDLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469952 477338730 /nfs/dbraw/zinc/33/87/30/477338730.db2.gz HKWLWPSLEIIHCH-SOLBZPMBSA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469952 477338734 /nfs/dbraw/zinc/33/87/34/477338734.db2.gz HKWLWPSLEIIHCH-SOLBZPMBSA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469953 477339494 /nfs/dbraw/zinc/33/94/94/477339494.db2.gz HKWLWPSLEIIHCH-XYJFISCASA-N 2 2 333.432 2.587 20 5 EFBDLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469953 477339497 /nfs/dbraw/zinc/33/94/97/477339497.db2.gz HKWLWPSLEIIHCH-XYJFISCASA-N 2 2 333.432 2.587 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040299 477483112 /nfs/dbraw/zinc/48/31/12/477483112.db2.gz TVFVNWGCPCQQKZ-INIZCTEOSA-N 2 2 344.415 2.912 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040299 477483117 /nfs/dbraw/zinc/48/31/17/477483117.db2.gz TVFVNWGCPCQQKZ-INIZCTEOSA-N 2 2 344.415 2.912 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000449265539 477514735 /nfs/dbraw/zinc/51/47/35/477514735.db2.gz SBRUFKKRENKZSX-DDUZABMNSA-N 2 2 344.415 2.769 20 5 EFBDLP CC[NH+](CC)CCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230050 477580743 /nfs/dbraw/zinc/58/07/43/477580743.db2.gz KLPKXOJAKSMAOS-UHFFFAOYSA-N 2 2 332.404 2.913 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727019 478490699 /nfs/dbraw/zinc/49/06/99/478490699.db2.gz NVMQZXQCKXOMHH-RYUDHWBXSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727019 478490703 /nfs/dbraw/zinc/49/07/03/478490703.db2.gz NVMQZXQCKXOMHH-RYUDHWBXSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729644 478491800 /nfs/dbraw/zinc/49/18/00/478491800.db2.gz ZAHSWSPBLPFHDS-DGCLKSJQSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729644 478491806 /nfs/dbraw/zinc/49/18/06/478491806.db2.gz ZAHSWSPBLPFHDS-DGCLKSJQSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729646 478492659 /nfs/dbraw/zinc/49/26/59/478492659.db2.gz ZAHSWSPBLPFHDS-WCQYABFASA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729646 478492664 /nfs/dbraw/zinc/49/26/64/478492664.db2.gz ZAHSWSPBLPFHDS-WCQYABFASA-N 2 2 347.337 2.563 20 5 EFBDLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105217 478662015 /nfs/dbraw/zinc/66/20/15/478662015.db2.gz RGZIWOOHOXSFGL-HOCLYGCPSA-N 2 2 333.432 2.807 20 5 EFBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427674 478892075 /nfs/dbraw/zinc/89/20/75/478892075.db2.gz PBRWELSRJLWLIC-ZWNOBZJWSA-N 2 2 329.347 2.755 20 5 EFBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427674 478892081 /nfs/dbraw/zinc/89/20/81/478892081.db2.gz PBRWELSRJLWLIC-ZWNOBZJWSA-N 2 2 329.347 2.755 20 5 EFBDLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000598918613 479086293 /nfs/dbraw/zinc/08/62/93/479086293.db2.gz PHGKGUWNYFFDIQ-UHFFFAOYSA-N 2 2 327.375 2.970 20 5 EFBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058079 479112193 /nfs/dbraw/zinc/11/21/93/479112193.db2.gz CDRLODVMFNUQIA-AWEZNQCLSA-N 2 2 349.431 2.521 20 5 EFBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058079 479112201 /nfs/dbraw/zinc/11/22/01/479112201.db2.gz CDRLODVMFNUQIA-AWEZNQCLSA-N 2 2 349.431 2.521 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000610799007 479192815 /nfs/dbraw/zinc/19/28/15/479192815.db2.gz KKBBYZHAKXJNSH-HUUCEWRRSA-N 2 2 348.447 2.776 20 5 EFBDLP CCOc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297355 479341564 /nfs/dbraw/zinc/34/15/64/479341564.db2.gz VCIPMAZHHPPLKM-HNNXBMFYSA-N 2 2 348.447 2.574 20 5 EFBDLP CCOc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297355 479341570 /nfs/dbraw/zinc/34/15/70/479341570.db2.gz VCIPMAZHHPPLKM-HNNXBMFYSA-N 2 2 348.447 2.574 20 5 EFBDLP CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000599661319 479377506 /nfs/dbraw/zinc/37/75/06/479377506.db2.gz SVWPPVWXARMNRK-UHFFFAOYSA-N 2 2 332.404 2.975 20 5 EFBDLP CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000599661319 479377508 /nfs/dbraw/zinc/37/75/08/479377508.db2.gz SVWPPVWXARMNRK-UHFFFAOYSA-N 2 2 332.404 2.975 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCCCC2)n1 ZINC000618562106 479492764 /nfs/dbraw/zinc/49/27/64/479492764.db2.gz YXZQLYHTPWETKN-HZPDHXFCSA-N 2 2 335.452 2.741 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240934 520777904 /nfs/dbraw/zinc/77/79/04/520777904.db2.gz AYCSUHCETAJMIQ-MAUKXSAKSA-N 2 2 335.448 2.994 20 5 EFBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041616 524577945 /nfs/dbraw/zinc/57/79/45/524577945.db2.gz SGVBLXWESYXOIG-IAGOWNOFSA-N 2 2 346.475 2.585 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004129 525458597 /nfs/dbraw/zinc/45/85/97/525458597.db2.gz PMKXEGROHPGJCC-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004129 525458604 /nfs/dbraw/zinc/45/86/04/525458604.db2.gz PMKXEGROHPGJCC-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874490 536943714 /nfs/dbraw/zinc/94/37/14/536943714.db2.gz BAZGGTBCCMXBKI-MOPGFXCFSA-N 2 2 341.411 2.839 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293264 576141662 /nfs/dbraw/zinc/14/16/62/576141662.db2.gz WAMHDGWIVPGKEP-OAHLLOKOSA-N 2 2 340.387 2.744 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293264 576141666 /nfs/dbraw/zinc/14/16/66/576141666.db2.gz WAMHDGWIVPGKEP-OAHLLOKOSA-N 2 2 340.387 2.744 20 5 EFBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000767757109 577232025 /nfs/dbraw/zinc/23/20/25/577232025.db2.gz VRFATMQNXMGLMF-UHFFFAOYSA-N 2 2 340.387 2.634 20 5 EFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000767757109 577232027 /nfs/dbraw/zinc/23/20/27/577232027.db2.gz VRFATMQNXMGLMF-UHFFFAOYSA-N 2 2 340.387 2.634 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499936 577278591 /nfs/dbraw/zinc/27/85/91/577278591.db2.gz NGJMOLCMMNLGGP-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499936 577278594 /nfs/dbraw/zinc/27/85/94/577278594.db2.gz NGJMOLCMMNLGGP-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499936 577278596 /nfs/dbraw/zinc/27/85/96/577278596.db2.gz NGJMOLCMMNLGGP-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499936 577278598 /nfs/dbraw/zinc/27/85/98/577278598.db2.gz NGJMOLCMMNLGGP-RHSMWYFYSA-N 2 2 343.431 2.627 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000774877097 581503029 /nfs/dbraw/zinc/50/30/29/581503029.db2.gz WEFBHGOYJGRQIC-CQSZACIVSA-N 2 2 331.332 2.537 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000774877097 581503030 /nfs/dbraw/zinc/50/30/30/581503030.db2.gz WEFBHGOYJGRQIC-CQSZACIVSA-N 2 2 331.332 2.537 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001170329255 1279019824 /nfs/dbraw/zinc/01/98/24/1279019824.db2.gz YLACHUKJBQXTIU-CYBMUJFWSA-N 2 2 340.383 2.972 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134282 1295287637 /nfs/dbraw/zinc/28/76/37/1295287637.db2.gz GTCKZGJLZFPEPK-CQSZACIVSA-N 2 2 342.399 2.709 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134282 1295287652 /nfs/dbraw/zinc/28/76/52/1295287652.db2.gz GTCKZGJLZFPEPK-CQSZACIVSA-N 2 2 342.399 2.709 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913571 1300815424 /nfs/dbraw/zinc/81/54/24/1300815424.db2.gz ROENDKRKBRNJLM-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913571 1300815440 /nfs/dbraw/zinc/81/54/40/1300815440.db2.gz ROENDKRKBRNJLM-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913571 1300815454 /nfs/dbraw/zinc/81/54/54/1300815454.db2.gz ROENDKRKBRNJLM-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913571 1300815471 /nfs/dbraw/zinc/81/54/71/1300815471.db2.gz ROENDKRKBRNJLM-WMLDXEAASA-N 2 2 343.431 2.627 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903091335 1312347277 /nfs/dbraw/zinc/34/72/77/1312347277.db2.gz RQBWUKKOMYSXMK-VHRNVKJDSA-N 2 2 331.416 2.851 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091335 1312347280 /nfs/dbraw/zinc/34/72/80/1312347280.db2.gz RQBWUKKOMYSXMK-VHRNVKJDSA-N 2 2 331.416 2.851 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)c1F ZINC001246107007 1314583145 /nfs/dbraw/zinc/58/31/45/1314583145.db2.gz RUTUIXPUVZDKPP-FRRDWIJNSA-N 2 2 339.411 2.651 20 5 EFBDLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465978 1315706934 /nfs/dbraw/zinc/70/69/34/1315706934.db2.gz SIXZSRLOOUCIEF-OAHLLOKOSA-N 2 2 332.448 2.638 20 5 EFBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC001254469822 1315707063 /nfs/dbraw/zinc/70/70/63/1315707063.db2.gz HDLNVOUOTIZWSN-INIZCTEOSA-N 2 2 344.459 2.780 20 5 EFBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC001254469822 1315707064 /nfs/dbraw/zinc/70/70/64/1315707064.db2.gz HDLNVOUOTIZWSN-INIZCTEOSA-N 2 2 344.459 2.780 20 5 EFBDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000896512907 723323463 /nfs/dbraw/zinc/32/34/63/723323463.db2.gz WXBMXYYYVJURMX-CQSZACIVSA-N 2 2 349.431 2.663 20 5 EFBDLP COc1cc(C[NH2+]C[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579152794 1090528707 /nfs/dbraw/zinc/52/87/07/1090528707.db2.gz IBYZQZOXZGKHDJ-CYBMUJFWSA-N 2 2 345.399 2.619 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178626874 232316859 /nfs/dbraw/zinc/31/68/59/232316859.db2.gz IFPXBWPUJONTSD-PBHICJAKSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178626874 232316863 /nfs/dbraw/zinc/31/68/63/232316863.db2.gz IFPXBWPUJONTSD-PBHICJAKSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178626874 232316867 /nfs/dbraw/zinc/31/68/67/232316867.db2.gz IFPXBWPUJONTSD-PBHICJAKSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178626874 232316870 /nfs/dbraw/zinc/31/68/70/232316870.db2.gz IFPXBWPUJONTSD-PBHICJAKSA-N 2 2 333.432 2.910 20 5 EFBDLP Cc1nc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000183775839 235222391 /nfs/dbraw/zinc/22/23/91/235222391.db2.gz CHRWPENOHBITDX-ZDUSSCGKSA-N 2 2 327.388 2.576 20 5 EFBDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419296577 245370677 /nfs/dbraw/zinc/37/06/77/245370677.db2.gz SDEQDZYKSSISAM-CYBMUJFWSA-N 2 2 346.431 2.528 20 5 EFBDLP C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375144 248233099 /nfs/dbraw/zinc/23/30/99/248233099.db2.gz ZWGBTBCTXKCEPR-XHDPSFHLSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375144 248233104 /nfs/dbraw/zinc/23/31/04/248233104.db2.gz ZWGBTBCTXKCEPR-XHDPSFHLSA-N 2 2 332.429 2.887 20 5 EFBDLP Cc1cc(NCCc2c[nH+]cn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000097373499 219017698 /nfs/dbraw/zinc/01/76/98/219017698.db2.gz JBONWHMZXKEONS-UHFFFAOYSA-N 2 2 338.371 2.748 20 5 EFBDLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847518 142281479 /nfs/dbraw/zinc/28/14/79/142281479.db2.gz GOMIQIOSBATOAZ-MRXNPFEDSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847518 142281481 /nfs/dbraw/zinc/28/14/81/142281481.db2.gz GOMIQIOSBATOAZ-MRXNPFEDSA-N 2 2 341.415 2.812 20 5 EFBDLP CN(CCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000344077718 145363008 /nfs/dbraw/zinc/36/30/08/145363008.db2.gz WVZBHIZVKWYRQK-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP CN(CCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000344077718 145363010 /nfs/dbraw/zinc/36/30/10/145363010.db2.gz WVZBHIZVKWYRQK-UHFFFAOYSA-N 2 2 342.871 2.564 20 5 EFBDLP [NH3+]CCN(Cc1c[nH+]c2ccc(Cl)cn12)c1ccccc1[N+](=O)[O-] ZINC000348906531 146022188 /nfs/dbraw/zinc/02/21/88/146022188.db2.gz UBYOBRLUULKBKQ-UHFFFAOYSA-N 2 2 345.790 2.861 20 5 EFBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688418 151046807 /nfs/dbraw/zinc/04/68/07/151046807.db2.gz DYOIZFORFXQCIE-ZDUSSCGKSA-N 2 2 338.839 2.829 20 5 EFBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688418 151046809 /nfs/dbraw/zinc/04/68/09/151046809.db2.gz DYOIZFORFXQCIE-ZDUSSCGKSA-N 2 2 338.839 2.829 20 5 EFBDLP CC[C@@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547080 266303337 /nfs/dbraw/zinc/30/33/37/266303337.db2.gz QLMOLQYCJLDMTB-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547080 266303339 /nfs/dbraw/zinc/30/33/39/266303339.db2.gz QLMOLQYCJLDMTB-PBHICJAKSA-N 2 2 345.447 2.738 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826514 267056604 /nfs/dbraw/zinc/05/66/04/267056604.db2.gz ALHIECDZXKPITE-CVEARBPZSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826514 267056605 /nfs/dbraw/zinc/05/66/05/267056605.db2.gz ALHIECDZXKPITE-CVEARBPZSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826514 267056608 /nfs/dbraw/zinc/05/66/08/267056608.db2.gz ALHIECDZXKPITE-CVEARBPZSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826514 267056610 /nfs/dbraw/zinc/05/66/10/267056610.db2.gz ALHIECDZXKPITE-CVEARBPZSA-N 2 2 333.432 2.910 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCn3cc[nH+]c3)cs2)c1 ZINC000113313649 273016324 /nfs/dbraw/zinc/01/63/24/273016324.db2.gz VXFIHHQIJDXPPR-UHFFFAOYSA-N 2 2 329.385 2.705 20 5 EFBDLP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048086 273170362 /nfs/dbraw/zinc/17/03/62/273170362.db2.gz JYEGNVSKIRSVBR-SFHVURJKSA-N 2 2 347.459 2.754 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158927757 293589123 /nfs/dbraw/zinc/58/91/23/293589123.db2.gz RAYJMHMBQSJONX-DOTOQJQBSA-N 2 2 335.448 2.647 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000447575085 304811796 /nfs/dbraw/zinc/81/17/96/304811796.db2.gz QFHFYVKADIOTBA-CABCVRRESA-N 2 2 344.419 2.762 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853526 311338807 /nfs/dbraw/zinc/33/88/07/311338807.db2.gz GQEHMIPBDBKLFA-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853526 311338809 /nfs/dbraw/zinc/33/88/09/311338809.db2.gz GQEHMIPBDBKLFA-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853526 311338811 /nfs/dbraw/zinc/33/88/11/311338811.db2.gz GQEHMIPBDBKLFA-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853526 311338813 /nfs/dbraw/zinc/33/88/13/311338813.db2.gz GQEHMIPBDBKLFA-LSDHHAIUSA-N 2 2 348.447 2.646 20 5 EFBDLP C[NH+](C)CCOC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145812 312046326 /nfs/dbraw/zinc/04/63/26/312046326.db2.gz VXWHMDUDBBTJGT-UHFFFAOYSA-N 2 2 344.415 2.690 20 5 EFBDLP CC1CC[NH+](C[C@H](O)CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145325 312046616 /nfs/dbraw/zinc/04/66/16/312046616.db2.gz ZQEDBDWCLSFQLD-MRXNPFEDSA-N 2 2 344.415 2.648 20 5 EFBDLP CCc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566738499 319106417 /nfs/dbraw/zinc/10/64/17/319106417.db2.gz WXOPUVWFFWAEHM-NWDGAFQWSA-N 2 2 329.404 2.574 20 5 EFBDLP CCc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566738498 319106432 /nfs/dbraw/zinc/10/64/32/319106432.db2.gz WXOPUVWFFWAEHM-NEPJUHHUSA-N 2 2 329.404 2.574 20 5 EFBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630505 473234567 /nfs/dbraw/zinc/23/45/67/473234567.db2.gz MROCWFMPUSPOKB-INIZCTEOSA-N 2 2 333.432 2.637 20 5 EFBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630505 473234570 /nfs/dbraw/zinc/23/45/70/473234570.db2.gz MROCWFMPUSPOKB-INIZCTEOSA-N 2 2 333.432 2.637 20 5 EFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630505 473234574 /nfs/dbraw/zinc/23/45/74/473234574.db2.gz MROCWFMPUSPOKB-INIZCTEOSA-N 2 2 333.432 2.637 20 5 EFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630505 473234578 /nfs/dbraw/zinc/23/45/78/473234578.db2.gz MROCWFMPUSPOKB-INIZCTEOSA-N 2 2 333.432 2.637 20 5 EFBDLP Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000505704864 478879187 /nfs/dbraw/zinc/87/91/87/478879187.db2.gz GHUATRKUMWPOAI-HNNXBMFYSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000505704864 478879189 /nfs/dbraw/zinc/87/91/89/478879189.db2.gz GHUATRKUMWPOAI-HNNXBMFYSA-N 2 2 332.448 2.508 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836553 472203925 /nfs/dbraw/zinc/20/39/25/472203925.db2.gz VJKMRWJUIXFJHU-INIZCTEOSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836553 472203930 /nfs/dbraw/zinc/20/39/30/472203930.db2.gz VJKMRWJUIXFJHU-INIZCTEOSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047004 472585659 /nfs/dbraw/zinc/58/56/59/472585659.db2.gz SWFJXDLTEBNPIO-YJBOKZPZSA-N 2 2 347.459 2.616 20 5 EFBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105876837 472794113 /nfs/dbraw/zinc/79/41/13/472794113.db2.gz VEFZSJCUIXRMBV-UHFFFAOYSA-N 2 2 332.379 2.922 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157269781 472801771 /nfs/dbraw/zinc/80/17/71/472801771.db2.gz BQMFAUURPFTTKN-MRXNPFEDSA-N 2 2 333.432 2.924 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157269781 472801777 /nfs/dbraw/zinc/80/17/77/472801777.db2.gz BQMFAUURPFTTKN-MRXNPFEDSA-N 2 2 333.432 2.924 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158927474 472980116 /nfs/dbraw/zinc/98/01/16/472980116.db2.gz RAYJMHMBQSJONX-RDJZCZTQSA-N 2 2 335.448 2.647 20 5 EFBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000075142011 473138660 /nfs/dbraw/zinc/13/86/60/473138660.db2.gz HKXMKJDZPDSAOB-LBPRGKRZSA-N 2 2 343.387 2.525 20 5 EFBDLP O=[N+]([O-])c1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163528117 473453820 /nfs/dbraw/zinc/45/38/20/473453820.db2.gz LEECQXHUNFTOQM-UHFFFAOYSA-N 2 2 347.338 2.731 20 5 EFBDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331134 473492584 /nfs/dbraw/zinc/49/25/84/473492584.db2.gz PCUDECDIVNUQEI-MSOLQXFVSA-N 2 2 335.448 2.992 20 5 EFBDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331134 473492589 /nfs/dbraw/zinc/49/25/89/473492589.db2.gz PCUDECDIVNUQEI-MSOLQXFVSA-N 2 2 335.448 2.992 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610922 473696297 /nfs/dbraw/zinc/69/62/97/473696297.db2.gz PKWKVCIVIAJYOG-IEBWSBKVSA-N 2 2 347.459 2.919 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610922 473696300 /nfs/dbraw/zinc/69/63/00/473696300.db2.gz PKWKVCIVIAJYOG-IEBWSBKVSA-N 2 2 347.459 2.919 20 5 EFBDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000269624039 473846331 /nfs/dbraw/zinc/84/63/31/473846331.db2.gz FLEHOJLQUXONDC-UHFFFAOYSA-N 2 2 346.475 2.585 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183778854 474426770 /nfs/dbraw/zinc/42/67/70/474426770.db2.gz UTRCOMKUULUSOW-AWEZNQCLSA-N 2 2 341.415 2.885 20 5 EFBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2c(c1)COCO2 ZINC000266753624 474470979 /nfs/dbraw/zinc/47/09/79/474470979.db2.gz OORHJQTZAFUZDM-UHFFFAOYSA-N 2 2 344.371 2.564 20 5 EFBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266950070 474544613 /nfs/dbraw/zinc/54/46/13/474544613.db2.gz UGQMEWIKEQEYRX-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266950070 474544619 /nfs/dbraw/zinc/54/46/19/474544619.db2.gz UGQMEWIKEQEYRX-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267477630 474671054 /nfs/dbraw/zinc/67/10/54/474671054.db2.gz ZTIAXMWVZPMVHQ-CQSZACIVSA-N 2 2 330.388 2.966 20 5 EFBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267477630 474671062 /nfs/dbraw/zinc/67/10/62/474671062.db2.gz ZTIAXMWVZPMVHQ-CQSZACIVSA-N 2 2 330.388 2.966 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354711464 475354066 /nfs/dbraw/zinc/35/40/66/475354066.db2.gz HOWQFSGBERVJCK-HNNXBMFYSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354711464 475354074 /nfs/dbraw/zinc/35/40/74/475354074.db2.gz HOWQFSGBERVJCK-HNNXBMFYSA-N 2 2 332.448 2.508 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251135 475575667 /nfs/dbraw/zinc/57/56/67/475575667.db2.gz UFEQWEFPENCCKW-CHWSQXEVSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251135 475575675 /nfs/dbraw/zinc/57/56/75/475575675.db2.gz UFEQWEFPENCCKW-CHWSQXEVSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251135 475575684 /nfs/dbraw/zinc/57/56/84/475575684.db2.gz UFEQWEFPENCCKW-CHWSQXEVSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251135 475575691 /nfs/dbraw/zinc/57/56/91/475575691.db2.gz UFEQWEFPENCCKW-CHWSQXEVSA-N 2 2 331.420 2.776 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348540478 475740544 /nfs/dbraw/zinc/74/05/44/475740544.db2.gz HMNHUAMRMNQKPR-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348540478 475740552 /nfs/dbraw/zinc/74/05/52/475740552.db2.gz HMNHUAMRMNQKPR-QWHCGFSZSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042699 476057506 /nfs/dbraw/zinc/05/75/06/476057506.db2.gz LQJPTLHLOTYMTD-GHMZBOCLSA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042699 476057508 /nfs/dbraw/zinc/05/75/08/476057508.db2.gz LQJPTLHLOTYMTD-GHMZBOCLSA-N 2 2 329.347 2.755 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051323 476189271 /nfs/dbraw/zinc/18/92/71/476189271.db2.gz MZLUGOBTLIHPSF-UONOGXRCSA-N 2 2 344.440 2.760 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051323 476189279 /nfs/dbraw/zinc/18/92/79/476189279.db2.gz MZLUGOBTLIHPSF-UONOGXRCSA-N 2 2 344.440 2.760 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658233 476665482 /nfs/dbraw/zinc/66/54/82/476665482.db2.gz DOFSGHFVIRWBMO-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658233 476665488 /nfs/dbraw/zinc/66/54/88/476665488.db2.gz DOFSGHFVIRWBMO-CQSZACIVSA-N 2 2 330.388 2.587 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000430243860 476790771 /nfs/dbraw/zinc/79/07/71/476790771.db2.gz WCLXBFDJTNBQDS-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000430243860 476790780 /nfs/dbraw/zinc/79/07/80/476790780.db2.gz WCLXBFDJTNBQDS-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430243860 476790787 /nfs/dbraw/zinc/79/07/87/476790787.db2.gz WCLXBFDJTNBQDS-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000430243860 476790793 /nfs/dbraw/zinc/79/07/93/476790793.db2.gz WCLXBFDJTNBQDS-OAHLLOKOSA-N 2 2 333.432 2.767 20 5 EFBDLP CCCC[C@@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304461 476988091 /nfs/dbraw/zinc/98/80/91/476988091.db2.gz YWKSDNXNUXORTI-HOCLYGCPSA-N 2 2 331.420 2.525 20 5 EFBDLP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c([N+](=O)[O-])cc1F ZINC000375756063 476988955 /nfs/dbraw/zinc/98/89/55/476988955.db2.gz HUGVXCGZYMFMKD-PBWFPOADSA-N 2 2 337.395 2.800 20 5 EFBDLP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c([N+](=O)[O-])cc1F ZINC000375756063 476988959 /nfs/dbraw/zinc/98/89/59/476988959.db2.gz HUGVXCGZYMFMKD-PBWFPOADSA-N 2 2 337.395 2.800 20 5 EFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000375756063 476988964 /nfs/dbraw/zinc/98/89/64/476988964.db2.gz HUGVXCGZYMFMKD-PBWFPOADSA-N 2 2 337.395 2.800 20 5 EFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1F ZINC000375756063 476988973 /nfs/dbraw/zinc/98/89/73/476988973.db2.gz HUGVXCGZYMFMKD-PBWFPOADSA-N 2 2 337.395 2.800 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000447575087 477015603 /nfs/dbraw/zinc/01/56/03/477015603.db2.gz QFHFYVKADIOTBA-HUUCEWRRSA-N 2 2 344.419 2.762 20 5 EFBDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583788 477017867 /nfs/dbraw/zinc/01/78/67/477017867.db2.gz CILHLBNYWJKZGX-CVEARBPZSA-N 2 2 329.404 2.811 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266282 477204960 /nfs/dbraw/zinc/20/49/60/477204960.db2.gz OGDBEPMJYIWNLF-QAPCUYQASA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266282 477204963 /nfs/dbraw/zinc/20/49/63/477204963.db2.gz OGDBEPMJYIWNLF-QAPCUYQASA-N 2 2 347.459 2.754 20 5 EFBDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389754 477219337 /nfs/dbraw/zinc/21/93/37/477219337.db2.gz GKWQHYUVHRDMJQ-LSDHHAIUSA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389754 477219341 /nfs/dbraw/zinc/21/93/41/477219341.db2.gz GKWQHYUVHRDMJQ-LSDHHAIUSA-N 2 2 335.452 2.739 20 5 EFBDLP CCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420239532 477646734 /nfs/dbraw/zinc/64/67/34/477646734.db2.gz PKWWBPBPXRQYNL-DZGCQCFKSA-N 2 2 341.415 2.718 20 5 EFBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370302 477729282 /nfs/dbraw/zinc/72/92/82/477729282.db2.gz OXKDFYXTUWUSPC-FHSNZYRGSA-N 2 2 344.415 2.768 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427881900 477783632 /nfs/dbraw/zinc/78/36/32/477783632.db2.gz KJAIQKKBFHBWRZ-GXTWGEPZSA-N 2 2 330.388 2.856 20 5 EFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427881901 477784314 /nfs/dbraw/zinc/78/43/14/477784314.db2.gz KJAIQKKBFHBWRZ-JSGCOSHPSA-N 2 2 330.388 2.856 20 5 EFBDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877824 /nfs/dbraw/zinc/87/78/24/477877824.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877828 /nfs/dbraw/zinc/87/78/28/477877828.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 2 2 346.475 2.587 20 5 EFBDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496603 478412039 /nfs/dbraw/zinc/41/20/39/478412039.db2.gz PNHGJTWDJWGQSA-MSOLQXFVSA-N 2 2 333.432 2.889 20 5 EFBDLP Cc1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000594501331 478413954 /nfs/dbraw/zinc/41/39/54/478413954.db2.gz UGVJHTZQSFCEGI-QGZVFWFLSA-N 2 2 333.432 2.636 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727020 478490044 /nfs/dbraw/zinc/49/00/44/478490044.db2.gz NVMQZXQCKXOMHH-VXGBXAGGSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727020 478490049 /nfs/dbraw/zinc/49/00/49/478490049.db2.gz NVMQZXQCKXOMHH-VXGBXAGGSA-N 2 2 347.337 2.563 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000595098570 478659311 /nfs/dbraw/zinc/65/93/11/478659311.db2.gz BQTXXXNSECLVNC-MJGOQNOKSA-N 2 2 345.443 2.815 20 5 EFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595099916 478659747 /nfs/dbraw/zinc/65/97/47/478659747.db2.gz GPTBLHYMFNPBEE-MAUKXSAKSA-N 2 2 347.459 2.759 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595100806 478660768 /nfs/dbraw/zinc/66/07/68/478660768.db2.gz JAOFEKWVYUNTRG-CZUORRHYSA-N 2 2 349.431 2.507 20 5 EFBDLP Cc1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000595428566 478774636 /nfs/dbraw/zinc/77/46/36/478774636.db2.gz YWYSEQKRHDYIHI-UHFFFAOYSA-N 2 2 333.392 2.780 20 5 EFBDLP Cc1cc(N(C)[C@H](C[NH3+])C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601983231 479110982 /nfs/dbraw/zinc/11/09/82/479110982.db2.gz LZNYOHOLEWMFKN-OAHLLOKOSA-N 2 2 327.388 2.534 20 5 EFBDLP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262653 479328794 /nfs/dbraw/zinc/32/87/94/479328794.db2.gz LTKZINPBGIKKRN-UHFFFAOYSA-N 2 2 349.431 2.672 20 5 EFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262653 479328799 /nfs/dbraw/zinc/32/87/99/479328799.db2.gz LTKZINPBGIKKRN-UHFFFAOYSA-N 2 2 349.431 2.672 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274322 479334571 /nfs/dbraw/zinc/33/45/71/479334571.db2.gz KDXGYKBUXFRJPL-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274322 479334574 /nfs/dbraw/zinc/33/45/74/479334574.db2.gz KDXGYKBUXFRJPL-CQSZACIVSA-N 2 2 349.431 2.530 20 5 EFBDLP CC(C)C[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602509393 479374905 /nfs/dbraw/zinc/37/49/05/479374905.db2.gz GTQLYJDFCVXCLC-UHFFFAOYSA-N 2 2 332.404 2.946 20 5 EFBDLP C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000602517622 479377481 /nfs/dbraw/zinc/37/74/81/479377481.db2.gz HVUHYBHXQMBHMA-ZDUSSCGKSA-N 2 2 332.404 2.948 20 5 EFBDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520188 479378624 /nfs/dbraw/zinc/37/86/24/479378624.db2.gz KKOVXLRXTUKUCG-SECBINFHSA-N 2 2 348.266 2.850 20 5 EFBDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520188 479378629 /nfs/dbraw/zinc/37/86/29/479378629.db2.gz KKOVXLRXTUKUCG-SECBINFHSA-N 2 2 348.266 2.850 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](C4CCC4)CC3)nc2c1 ZINC000602523509 479380700 /nfs/dbraw/zinc/38/07/00/479380700.db2.gz YYOJPBJRLJTYQV-UHFFFAOYSA-N 2 2 330.388 2.843 20 5 EFBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535849 479387183 /nfs/dbraw/zinc/38/71/83/479387183.db2.gz ZGLKYRNCHBGSRU-MRVPVSSYSA-N 2 2 336.255 2.849 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967958 479525062 /nfs/dbraw/zinc/52/50/62/479525062.db2.gz CCVNQTVQQLHVFA-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967958 479525063 /nfs/dbraw/zinc/52/50/63/479525063.db2.gz CCVNQTVQQLHVFA-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279975 480603355 /nfs/dbraw/zinc/60/33/55/480603355.db2.gz LYWSHEFRHQLFDS-ZDUSSCGKSA-N 2 2 326.360 2.505 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279975 480603362 /nfs/dbraw/zinc/60/33/62/480603362.db2.gz LYWSHEFRHQLFDS-ZDUSSCGKSA-N 2 2 326.360 2.505 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920574 524659761 /nfs/dbraw/zinc/65/97/61/524659761.db2.gz PXVOORNDVKHZQC-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920574 524659764 /nfs/dbraw/zinc/65/97/64/524659764.db2.gz PXVOORNDVKHZQC-CALCHBBNSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196352 524898339 /nfs/dbraw/zinc/89/83/39/524898339.db2.gz PSXXJDSGUXAVSI-GXSJLCMTSA-N 2 2 328.210 2.526 20 5 EFBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196352 524898346 /nfs/dbraw/zinc/89/83/46/524898346.db2.gz PSXXJDSGUXAVSI-GXSJLCMTSA-N 2 2 328.210 2.526 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893694 525011660 /nfs/dbraw/zinc/01/16/60/525011660.db2.gz UXTIKDYLEBQCBV-ZYHUDNBSSA-N 2 2 342.237 2.917 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893694 525011664 /nfs/dbraw/zinc/01/16/64/525011664.db2.gz UXTIKDYLEBQCBV-ZYHUDNBSSA-N 2 2 342.237 2.917 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893971 525021806 /nfs/dbraw/zinc/02/18/06/525021806.db2.gz UXTIKDYLEBQCBV-PWSUYJOCSA-N 2 2 342.237 2.917 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893971 525021815 /nfs/dbraw/zinc/02/18/15/525021815.db2.gz UXTIKDYLEBQCBV-PWSUYJOCSA-N 2 2 342.237 2.917 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156369732 527403976 /nfs/dbraw/zinc/40/39/76/527403976.db2.gz SOXYIKBFRKTFPL-OAHLLOKOSA-N 2 2 329.356 2.522 20 5 EFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156369732 527403981 /nfs/dbraw/zinc/40/39/81/527403981.db2.gz SOXYIKBFRKTFPL-OAHLLOKOSA-N 2 2 329.356 2.522 20 5 EFBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378983 536896131 /nfs/dbraw/zinc/89/61/31/536896131.db2.gz KUWBLHXAGQIABA-LBPRGKRZSA-N 2 2 331.372 2.787 20 5 EFBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378983 536896134 /nfs/dbraw/zinc/89/61/34/536896134.db2.gz KUWBLHXAGQIABA-LBPRGKRZSA-N 2 2 331.372 2.787 20 5 EFBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435390759 536896309 /nfs/dbraw/zinc/89/63/09/536896309.db2.gz TZZFHQWFFKAMJL-UHFFFAOYSA-N 2 2 331.372 2.659 20 5 EFBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435390759 536896312 /nfs/dbraw/zinc/89/63/12/536896312.db2.gz TZZFHQWFFKAMJL-UHFFFAOYSA-N 2 2 331.372 2.659 20 5 EFBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000760883025 576084602 /nfs/dbraw/zinc/08/46/02/576084602.db2.gz WJKDERYLZCRTCK-UHFFFAOYSA-N 2 2 332.791 2.965 20 5 EFBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000761121545 576116921 /nfs/dbraw/zinc/11/69/21/576116921.db2.gz WBCZYXZAWQACHJ-QGZVFWFLSA-N 2 2 342.399 2.600 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293263 576141430 /nfs/dbraw/zinc/14/14/30/576141430.db2.gz WAMHDGWIVPGKEP-HNNXBMFYSA-N 2 2 340.387 2.744 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293263 576141432 /nfs/dbraw/zinc/14/14/32/576141432.db2.gz WAMHDGWIVPGKEP-HNNXBMFYSA-N 2 2 340.387 2.744 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000774132354 581484836 /nfs/dbraw/zinc/48/48/36/581484836.db2.gz AETSHFDAMNHKNY-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH3+] ZINC000923421359 1261644970 /nfs/dbraw/zinc/64/49/70/1261644970.db2.gz NDRGTNBXERDYJI-NWDGAFQWSA-N 2 2 328.210 2.573 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298276 1278981724 /nfs/dbraw/zinc/98/17/24/1278981724.db2.gz IAJMDMOPDYHCNZ-OAHLLOKOSA-N 2 2 343.427 2.995 20 5 EFBDLP COc1ccc(C[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298276 1278981729 /nfs/dbraw/zinc/98/17/29/1278981729.db2.gz IAJMDMOPDYHCNZ-OAHLLOKOSA-N 2 2 343.427 2.995 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317705 1279011563 /nfs/dbraw/zinc/01/15/63/1279011563.db2.gz JRFFLKPJJPCFLH-ZBFHGGJFSA-N 2 2 335.448 2.854 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317705 1279011575 /nfs/dbraw/zinc/01/15/75/1279011575.db2.gz JRFFLKPJJPCFLH-ZBFHGGJFSA-N 2 2 335.448 2.854 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577482 1276230329 /nfs/dbraw/zinc/23/03/29/1276230329.db2.gz ONGBNKINZAYTTL-MPGHIAIKSA-N 2 2 345.443 2.770 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577482 1276230336 /nfs/dbraw/zinc/23/03/36/1276230336.db2.gz ONGBNKINZAYTTL-MPGHIAIKSA-N 2 2 345.443 2.770 20 5 EFBDLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355314 1279033607 /nfs/dbraw/zinc/03/36/07/1279033607.db2.gz ZNBWWWNMUDJSJT-CQSZACIVSA-N 2 2 332.404 2.753 20 5 EFBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355314 1279033619 /nfs/dbraw/zinc/03/36/19/1279033619.db2.gz ZNBWWWNMUDJSJT-CQSZACIVSA-N 2 2 332.404 2.753 20 5 EFBDLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735081 1282414981 /nfs/dbraw/zinc/41/49/81/1282414981.db2.gz WVKBDFFARCPXRY-UHFFFAOYSA-N 2 2 337.383 2.746 20 5 EFBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001173225578 1286480946 /nfs/dbraw/zinc/48/09/46/1286480946.db2.gz SDVSFSXQVIZJAG-HNNXBMFYSA-N 2 2 340.427 2.871 20 5 EFBDLP COCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173227654 1286481820 /nfs/dbraw/zinc/48/18/20/1286481820.db2.gz RXIUTVVJPZFQKJ-HNNXBMFYSA-N 2 2 335.448 2.568 20 5 EFBDLP COCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173227654 1286481824 /nfs/dbraw/zinc/48/18/24/1286481824.db2.gz RXIUTVVJPZFQKJ-HNNXBMFYSA-N 2 2 335.448 2.568 20 5 EFBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229653 1286482770 /nfs/dbraw/zinc/48/27/70/1286482770.db2.gz OQCQVNXKMPKNAH-LIRRHRJNSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229653 1286482775 /nfs/dbraw/zinc/48/27/75/1286482775.db2.gz OQCQVNXKMPKNAH-LIRRHRJNSA-N 2 2 325.412 2.911 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000873138383 1289593226 /nfs/dbraw/zinc/59/32/26/1289593226.db2.gz GVKRCPLJVXYAOK-MRXNPFEDSA-N 2 2 333.432 2.555 20 5 EFBDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522213 1290606501 /nfs/dbraw/zinc/60/65/01/1290606501.db2.gz ODDXGCRKDBXGID-HNNXBMFYSA-N 2 2 335.452 2.725 20 5 EFBDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522213 1290606506 /nfs/dbraw/zinc/60/65/06/1290606506.db2.gz ODDXGCRKDBXGID-HNNXBMFYSA-N 2 2 335.452 2.725 20 5 EFBDLP C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121531010 1295552223 /nfs/dbraw/zinc/55/22/23/1295552223.db2.gz UFZVGBPHHPVUMF-GUYCJALGSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121531010 1295552235 /nfs/dbraw/zinc/55/22/35/1295552235.db2.gz UFZVGBPHHPVUMF-GUYCJALGSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121530855 1295553007 /nfs/dbraw/zinc/55/30/07/1295553007.db2.gz UFZVGBPHHPVUMF-DYVFJYSZSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000121530855 1295553013 /nfs/dbraw/zinc/55/30/13/1295553013.db2.gz UFZVGBPHHPVUMF-DYVFJYSZSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000246729766 1302128675 /nfs/dbraw/zinc/12/86/75/1302128675.db2.gz UFZVGBPHHPVUMF-SUMWQHHRSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000246729766 1302128684 /nfs/dbraw/zinc/12/86/84/1302128684.db2.gz UFZVGBPHHPVUMF-SUMWQHHRSA-N 2 2 340.387 2.682 20 5 EFBDLP C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH+](C)CC1 ZINC001164206897 1312468146 /nfs/dbraw/zinc/46/81/46/1312468146.db2.gz JPILYUSDINRXAE-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344195 1312584593 /nfs/dbraw/zinc/58/45/93/1312584593.db2.gz NANPLOFYXONIOW-CABCVRRESA-N 2 2 335.452 2.597 20 5 EFBDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344195 1312584597 /nfs/dbraw/zinc/58/45/97/1312584597.db2.gz NANPLOFYXONIOW-CABCVRRESA-N 2 2 335.452 2.597 20 5 EFBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584676 1314652261 /nfs/dbraw/zinc/65/22/61/1314652261.db2.gz YIEBAFKDIUDIES-SJLPKXTDSA-N 2 2 335.423 2.995 20 5 EFBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584676 1314652263 /nfs/dbraw/zinc/65/22/63/1314652263.db2.gz YIEBAFKDIUDIES-SJLPKXTDSA-N 2 2 335.423 2.995 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918827 1314707968 /nfs/dbraw/zinc/70/79/68/1314707968.db2.gz MEAAEHGVBNQTPL-WHOFXGATSA-N 2 2 339.411 2.875 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918827 1314707970 /nfs/dbraw/zinc/70/79/70/1314707970.db2.gz MEAAEHGVBNQTPL-WHOFXGATSA-N 2 2 339.411 2.875 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001254546070 1315722394 /nfs/dbraw/zinc/72/23/94/1315722394.db2.gz FFQSGBWZNVBVJX-MAUKXSAKSA-N 2 2 347.459 2.616 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001254546070 1315722397 /nfs/dbraw/zinc/72/23/97/1315722397.db2.gz FFQSGBWZNVBVJX-MAUKXSAKSA-N 2 2 347.459 2.616 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001254610605 1315731265 /nfs/dbraw/zinc/73/12/65/1315731265.db2.gz LRSMTTCKKTXQJI-GOSISDBHSA-N 2 2 338.411 2.716 20 5 EFBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001318833228 1328715554 /nfs/dbraw/zinc/71/55/54/1328715554.db2.gz PENFXCMPEOUKAS-UHFFFAOYSA-N 2 2 337.339 2.665 20 5 EFBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001322844825 1329493724 /nfs/dbraw/zinc/49/37/24/1329493724.db2.gz CWRNTZXLAKVGRE-UHFFFAOYSA-N 2 2 337.339 2.665 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333377760 1331129045 /nfs/dbraw/zinc/12/90/45/1331129045.db2.gz AIFOUXSYZPRSSA-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719557 1331201126 /nfs/dbraw/zinc/20/11/26/1331201126.db2.gz RDPCVMWNMYEZAM-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719557 1331201130 /nfs/dbraw/zinc/20/11/30/1331201130.db2.gz RDPCVMWNMYEZAM-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268954 715212259 /nfs/dbraw/zinc/21/22/59/715212259.db2.gz JGDLQECLHAZFLN-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268954 715212260 /nfs/dbraw/zinc/21/22/60/715212260.db2.gz JGDLQECLHAZFLN-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268954 715212261 /nfs/dbraw/zinc/21/22/61/715212261.db2.gz JGDLQECLHAZFLN-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268954 715212262 /nfs/dbraw/zinc/21/22/62/715212262.db2.gz JGDLQECLHAZFLN-PBHICJAKSA-N 2 2 343.431 2.627 20 5 EFBDLP CC[C@@H]([NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC001578225599 1090313778 /nfs/dbraw/zinc/31/37/78/1090313778.db2.gz HABKXQSJFOVPLQ-CYBMUJFWSA-N 2 2 332.429 2.938 20 5 EFBDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1F ZINC000184232505 235342847 /nfs/dbraw/zinc/34/28/47/235342847.db2.gz GOCFVHRHKCRQNB-UHFFFAOYSA-N 2 2 334.351 2.776 20 5 EFBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000160115168 201411146 /nfs/dbraw/zinc/41/11/46/201411146.db2.gz FKZPGCOUBINAML-ZDUSSCGKSA-N 2 2 328.210 2.526 20 5 EFBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000160115168 201411150 /nfs/dbraw/zinc/41/11/50/201411150.db2.gz FKZPGCOUBINAML-ZDUSSCGKSA-N 2 2 328.210 2.526 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414796340 244359680 /nfs/dbraw/zinc/35/96/80/244359680.db2.gz HOKWEYUNYFWDIY-HNNXBMFYSA-N 2 2 331.372 2.690 20 5 EFBDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419298445 245369826 /nfs/dbraw/zinc/36/98/26/245369826.db2.gz WDOAMQMKERAZDL-CYBMUJFWSA-N 2 2 346.431 2.528 20 5 EFBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372765 248232909 /nfs/dbraw/zinc/23/29/09/248232909.db2.gz SKKOVKIOBRSZRQ-NWDGAFQWSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372765 248232910 /nfs/dbraw/zinc/23/29/10/248232910.db2.gz SKKOVKIOBRSZRQ-NWDGAFQWSA-N 2 2 332.429 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385003 248233646 /nfs/dbraw/zinc/23/36/46/248233646.db2.gz PEKMCCDWSMMBIO-VBNZEHGJSA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385003 248233648 /nfs/dbraw/zinc/23/36/48/248233648.db2.gz PEKMCCDWSMMBIO-VBNZEHGJSA-N 2 2 344.440 2.887 20 5 EFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000344855913 533385325 /nfs/dbraw/zinc/38/53/25/533385325.db2.gz LDBNYKJUDBGPNX-RTYFKUQISA-N 2 2 333.432 2.699 20 5 EFBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663661 142057659 /nfs/dbraw/zinc/05/76/59/142057659.db2.gz IBSUTMMRLBAVKB-CMPLNLGQSA-N 2 2 329.347 2.769 20 5 EFBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000344663661 142057660 /nfs/dbraw/zinc/05/76/60/142057660.db2.gz IBSUTMMRLBAVKB-CMPLNLGQSA-N 2 2 329.347 2.769 20 5 EFBDLP Cc1ccn2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])c[nH+]c2c1 ZINC000348903483 146022438 /nfs/dbraw/zinc/02/24/38/146022438.db2.gz HHFHRBJTFRBLKH-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP Cc1cccn2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])c[nH+]c12 ZINC000348921517 146024467 /nfs/dbraw/zinc/02/44/67/146024467.db2.gz NSLVEZIETIDEAV-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP CC[NH+](CC)CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517657 266291580 /nfs/dbraw/zinc/29/15/80/266291580.db2.gz KPLIOGYYECYGNM-KRWDZBQOSA-N 2 2 345.447 2.739 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000278229608 267374721 /nfs/dbraw/zinc/37/47/21/267374721.db2.gz MPEHMBCUMHKPEL-LBPRGKRZSA-N 2 2 331.332 2.606 20 5 EFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000278229608 267374722 /nfs/dbraw/zinc/37/47/22/267374722.db2.gz MPEHMBCUMHKPEL-LBPRGKRZSA-N 2 2 331.332 2.606 20 5 EFBDLP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1O ZINC000276741148 273142469 /nfs/dbraw/zinc/14/24/69/273142469.db2.gz XVQMRCIRCDBMKF-UHFFFAOYSA-N 2 2 337.420 2.521 20 5 EFBDLP COC[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411869 274047189 /nfs/dbraw/zinc/04/71/89/274047189.db2.gz GMMLXVPEJDFSMF-WMZOPIPTSA-N 2 2 333.432 2.675 20 5 EFBDLP CC[N@H+](CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349386370 276123126 /nfs/dbraw/zinc/12/31/26/276123126.db2.gz SBSOZAOAGGTTFS-UHFFFAOYSA-N 2 2 331.363 2.970 20 5 EFBDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349386370 276123127 /nfs/dbraw/zinc/12/31/27/276123127.db2.gz SBSOZAOAGGTTFS-UHFFFAOYSA-N 2 2 331.363 2.970 20 5 EFBDLP CC[NH+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516682 279120058 /nfs/dbraw/zinc/12/00/58/279120058.db2.gz JCILKKNWPDZGIP-RHSMWYFYSA-N 2 2 345.447 2.738 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354711469 281012189 /nfs/dbraw/zinc/01/21/89/281012189.db2.gz HOWQFSGBERVJCK-OAHLLOKOSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354711469 281012190 /nfs/dbraw/zinc/01/21/90/281012190.db2.gz HOWQFSGBERVJCK-OAHLLOKOSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182809960 281020221 /nfs/dbraw/zinc/02/02/21/281020221.db2.gz GWEQRNSGQZEIMN-HZPDHXFCSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182809960 281020225 /nfs/dbraw/zinc/02/02/25/281020225.db2.gz GWEQRNSGQZEIMN-HZPDHXFCSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1ccc2[nH+]c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cn2c1 ZINC000348904766 281153447 /nfs/dbraw/zinc/15/34/47/281153447.db2.gz NSJBDRHYVKCKMY-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709848 311410259 /nfs/dbraw/zinc/41/02/59/311410259.db2.gz CLUDQFSJPILFEZ-HZPDHXFCSA-N 2 2 335.452 2.597 20 5 EFBDLP CN(C)c1[nH+]cc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1C ZINC000413147121 312046890 /nfs/dbraw/zinc/04/68/90/312046890.db2.gz YURGEUQNQPTDLX-UHFFFAOYSA-N 2 2 326.360 2.555 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414829245 312054884 /nfs/dbraw/zinc/05/48/84/312054884.db2.gz NNSGCXSQQUEPDV-GFCCVEGCSA-N 2 2 332.429 2.808 20 5 EFBDLP COc1cc(C[NH2+][C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414929952 312065062 /nfs/dbraw/zinc/06/50/62/312065062.db2.gz ONPCDLYGGZWFSK-CYBMUJFWSA-N 2 2 345.399 2.619 20 5 EFBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000415134267 312100433 /nfs/dbraw/zinc/10/04/33/312100433.db2.gz OIFHVERSQOFNCW-UHFFFAOYSA-N 2 2 333.388 2.905 20 5 EFBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000415134267 312100434 /nfs/dbraw/zinc/10/04/34/312100434.db2.gz OIFHVERSQOFNCW-UHFFFAOYSA-N 2 2 333.388 2.905 20 5 EFBDLP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489235027 313553333 /nfs/dbraw/zinc/55/33/33/313553333.db2.gz SWRQVTPBBKVZJX-AWEZNQCLSA-N 2 2 343.431 2.924 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)n1 ZINC000551573079 318210076 /nfs/dbraw/zinc/21/00/76/318210076.db2.gz ZRGUJSYMQCQWMR-GJZGRUSLSA-N 2 2 344.419 2.598 20 5 EFBDLP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000580196732 324118744 /nfs/dbraw/zinc/11/87/44/324118744.db2.gz ALVPPMZYBLYIFB-UHFFFAOYSA-N 2 2 330.388 2.606 20 5 EFBDLP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000580196732 324118747 /nfs/dbraw/zinc/11/87/47/324118747.db2.gz ALVPPMZYBLYIFB-UHFFFAOYSA-N 2 2 330.388 2.606 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131908539 472700996 /nfs/dbraw/zinc/70/09/96/472700996.db2.gz SUMMHWPEEDRHPM-MRXNPFEDSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131908539 472701001 /nfs/dbraw/zinc/70/10/01/472701001.db2.gz SUMMHWPEEDRHPM-MRXNPFEDSA-N 2 2 329.356 2.652 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725457 472710476 /nfs/dbraw/zinc/71/04/76/472710476.db2.gz NIRSKPDRYHAAPC-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725457 472710482 /nfs/dbraw/zinc/71/04/82/472710482.db2.gz NIRSKPDRYHAAPC-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725457 472710486 /nfs/dbraw/zinc/71/04/86/472710486.db2.gz NIRSKPDRYHAAPC-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725457 472710492 /nfs/dbraw/zinc/71/04/92/472710492.db2.gz NIRSKPDRYHAAPC-ZBFHGGJFSA-N 2 2 348.447 2.728 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157626619 472840461 /nfs/dbraw/zinc/84/04/61/472840461.db2.gz GSAMGQGXRXDYNU-QZTJIDSGSA-N 2 2 329.444 2.990 20 5 EFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157626619 472840468 /nfs/dbraw/zinc/84/04/68/472840468.db2.gz GSAMGQGXRXDYNU-QZTJIDSGSA-N 2 2 329.444 2.990 20 5 EFBDLP CCc1cc(NCCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064904466 472885043 /nfs/dbraw/zinc/88/50/43/472885043.db2.gz PVGZUQNJMMKLCZ-UHFFFAOYSA-N 2 2 329.404 2.978 20 5 EFBDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC ZINC000092648636 472951505 /nfs/dbraw/zinc/95/15/05/472951505.db2.gz YBVZXVRULDJJOU-UHFFFAOYSA-N 2 2 346.387 2.646 20 5 EFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664727 473133285 /nfs/dbraw/zinc/13/32/85/473133285.db2.gz RALPDXPAVBRIRJ-QGZVFWFLSA-N 2 2 347.459 2.872 20 5 EFBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664727 473133292 /nfs/dbraw/zinc/13/32/92/473133292.db2.gz RALPDXPAVBRIRJ-QGZVFWFLSA-N 2 2 347.459 2.872 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509773 473745347 /nfs/dbraw/zinc/74/53/47/473745347.db2.gz YQMCKDSNIYQXJG-HNNXBMFYSA-N 2 2 348.447 2.648 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509773 473745352 /nfs/dbraw/zinc/74/53/52/473745352.db2.gz YQMCKDSNIYQXJG-HNNXBMFYSA-N 2 2 348.447 2.648 20 5 EFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282121201 473952812 /nfs/dbraw/zinc/95/28/12/473952812.db2.gz JLWIXUJBZFQBPH-CVEARBPZSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282121201 473952824 /nfs/dbraw/zinc/95/28/24/473952824.db2.gz JLWIXUJBZFQBPH-CVEARBPZSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282130960 473955568 /nfs/dbraw/zinc/95/55/68/473955568.db2.gz KDAYITYLYVDKCE-CVEARBPZSA-N 2 2 333.432 2.700 20 5 EFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282130960 473955576 /nfs/dbraw/zinc/95/55/76/473955576.db2.gz KDAYITYLYVDKCE-CVEARBPZSA-N 2 2 333.432 2.700 20 5 EFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181103545 474006122 /nfs/dbraw/zinc/00/61/22/474006122.db2.gz VNHQEXOSSSJOHA-UHFFFAOYSA-N 2 2 341.371 2.968 20 5 EFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181103545 474006128 /nfs/dbraw/zinc/00/61/28/474006128.db2.gz VNHQEXOSSSJOHA-UHFFFAOYSA-N 2 2 341.371 2.968 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276403174 474529159 /nfs/dbraw/zinc/52/91/59/474529159.db2.gz AEPNRNHQOWUHOW-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP C[NH+](C)[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912808 475066752 /nfs/dbraw/zinc/06/67/52/475066752.db2.gz IEKCZOHFNSXURE-AEFFLSMTSA-N 2 2 349.500 2.943 20 5 EFBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386337 480156030 /nfs/dbraw/zinc/15/60/30/480156030.db2.gz POFOSBJNEHTAOR-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386337 480156033 /nfs/dbraw/zinc/15/60/33/480156033.db2.gz POFOSBJNEHTAOR-HNNXBMFYSA-N 2 2 348.447 2.694 20 5 EFBDLP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339685750 475410115 /nfs/dbraw/zinc/41/01/15/475410115.db2.gz GWXJXIXCCFTLMR-CQSZACIVSA-N 2 2 341.415 2.748 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251141 475575444 /nfs/dbraw/zinc/57/54/44/475575444.db2.gz UFEQWEFPENCCKW-QWHCGFSZSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251141 475575450 /nfs/dbraw/zinc/57/54/50/475575450.db2.gz UFEQWEFPENCCKW-QWHCGFSZSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251141 475575456 /nfs/dbraw/zinc/57/54/56/475575456.db2.gz UFEQWEFPENCCKW-QWHCGFSZSA-N 2 2 331.420 2.776 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251141 475575459 /nfs/dbraw/zinc/57/54/59/475575459.db2.gz UFEQWEFPENCCKW-QWHCGFSZSA-N 2 2 331.420 2.776 20 5 EFBDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315106 475585511 /nfs/dbraw/zinc/58/55/11/475585511.db2.gz CXGRVAJVBRQFJR-SFHVURJKSA-N 2 2 345.447 2.538 20 5 EFBDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315106 475585517 /nfs/dbraw/zinc/58/55/17/475585517.db2.gz CXGRVAJVBRQFJR-SFHVURJKSA-N 2 2 345.447 2.538 20 5 EFBDLP C[NH+](C)Cc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000348333893 475600996 /nfs/dbraw/zinc/60/09/96/475600996.db2.gz CLACIERFCSLTMI-UHFFFAOYSA-N 2 2 334.445 2.787 20 5 EFBDLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000348333893 475601001 /nfs/dbraw/zinc/60/10/01/475601001.db2.gz CLACIERFCSLTMI-UHFFFAOYSA-N 2 2 334.445 2.787 20 5 EFBDLP Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000332400736 475626787 /nfs/dbraw/zinc/62/67/87/475626787.db2.gz SKLVYUNAUBPWID-ZDUSSCGKSA-N 2 2 327.388 2.576 20 5 EFBDLP CC[C@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496553 476020348 /nfs/dbraw/zinc/02/03/48/476020348.db2.gz MLOCKONTXJJZQI-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP CC[C@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496553 476020353 /nfs/dbraw/zinc/02/03/53/476020353.db2.gz MLOCKONTXJJZQI-YOEHRIQHSA-N 2 2 345.447 2.738 20 5 EFBDLP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617277 476476133 /nfs/dbraw/zinc/47/61/33/476476133.db2.gz AJPZHVUENIHAOD-SFHVURJKSA-N 2 2 346.475 2.504 20 5 EFBDLP Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617277 476476140 /nfs/dbraw/zinc/47/61/40/476476140.db2.gz AJPZHVUENIHAOD-SFHVURJKSA-N 2 2 346.475 2.504 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374916802 476592454 /nfs/dbraw/zinc/59/24/54/476592454.db2.gz PSVYAQXTUKIVEP-SJLPKXTDSA-N 2 2 346.475 2.676 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000374916802 476592459 /nfs/dbraw/zinc/59/24/59/476592459.db2.gz PSVYAQXTUKIVEP-SJLPKXTDSA-N 2 2 346.475 2.676 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578745 476866211 /nfs/dbraw/zinc/86/62/11/476866211.db2.gz BHYVNLMYTUMCJV-KGLIPLIRSA-N 2 2 336.436 2.535 20 5 EFBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578745 476866219 /nfs/dbraw/zinc/86/62/19/476866219.db2.gz BHYVNLMYTUMCJV-KGLIPLIRSA-N 2 2 336.436 2.535 20 5 EFBDLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]1 ZINC000414948057 476896837 /nfs/dbraw/zinc/89/68/37/476896837.db2.gz WPPJPOGJXHAKTE-GOSISDBHSA-N 2 2 345.399 2.713 20 5 EFBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514494 477057560 /nfs/dbraw/zinc/05/75/60/477057560.db2.gz DDBCEFXGOSMHMQ-OLZOCXBDSA-N 2 2 347.440 2.962 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534147 477066687 /nfs/dbraw/zinc/06/66/87/477066687.db2.gz VIVHPKFGUNNAIX-JCGIZDLHSA-N 2 2 325.412 2.871 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000366612337 477096525 /nfs/dbraw/zinc/09/65/25/477096525.db2.gz YTTAPDACHSYYFP-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000366612337 477096529 /nfs/dbraw/zinc/09/65/29/477096529.db2.gz YTTAPDACHSYYFP-XJKSGUPXSA-N 2 2 330.388 2.883 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026614 477119913 /nfs/dbraw/zinc/11/99/13/477119913.db2.gz JBQIGZOXFOYULG-PMPSAXMXSA-N 2 2 349.479 2.985 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026614 477119918 /nfs/dbraw/zinc/11/99/18/477119918.db2.gz JBQIGZOXFOYULG-PMPSAXMXSA-N 2 2 349.479 2.985 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263874 477202158 /nfs/dbraw/zinc/20/21/58/477202158.db2.gz UKXPGFCKPDPGCF-ROUUACIJSA-N 2 2 335.448 2.872 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263874 477202164 /nfs/dbraw/zinc/20/21/64/477202164.db2.gz UKXPGFCKPDPGCF-ROUUACIJSA-N 2 2 335.448 2.872 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449073590 477422574 /nfs/dbraw/zinc/42/25/74/477422574.db2.gz SGUCXVLUDYKHCH-BZUAXINKSA-N 2 2 335.448 2.615 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413169403 477551346 /nfs/dbraw/zinc/55/13/46/477551346.db2.gz KSZAUOYSDMTWHL-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875859 478003388 /nfs/dbraw/zinc/00/33/88/478003388.db2.gz YLIQGMUKNFWZLQ-AWEZNQCLSA-N 2 2 330.388 2.717 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000594501121 478413195 /nfs/dbraw/zinc/41/31/95/478413195.db2.gz RHORDWAAEFTMNT-OAHLLOKOSA-N 2 2 339.823 2.591 20 5 EFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000591150693 478476516 /nfs/dbraw/zinc/47/65/16/478476516.db2.gz NZWLJBNLQBKRKV-MRXNPFEDSA-N 2 2 342.399 2.808 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)c1 ZINC000591278555 478507496 /nfs/dbraw/zinc/50/74/96/478507496.db2.gz PPEUFYXHIYHMCO-ZDUSSCGKSA-N 2 2 332.429 2.950 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)c1 ZINC000591278554 478507911 /nfs/dbraw/zinc/50/79/11/478507911.db2.gz PPEUFYXHIYHMCO-CYBMUJFWSA-N 2 2 332.429 2.950 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447016 478555560 /nfs/dbraw/zinc/55/55/60/478555560.db2.gz WPALINLMSOQWFZ-HOCLYGCPSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447016 478555571 /nfs/dbraw/zinc/55/55/71/478555571.db2.gz WPALINLMSOQWFZ-HOCLYGCPSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446986 478555962 /nfs/dbraw/zinc/55/59/62/478555962.db2.gz HOCJXJNWBPQWHU-IAGOWNOFSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446986 478555967 /nfs/dbraw/zinc/55/59/67/478555967.db2.gz HOCJXJNWBPQWHU-IAGOWNOFSA-N 2 2 346.431 2.530 20 5 EFBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056858 478643417 /nfs/dbraw/zinc/64/34/17/478643417.db2.gz RTOFWJFIYGILJJ-UKRRQHHQSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056858 478643423 /nfs/dbraw/zinc/64/34/23/478643423.db2.gz RTOFWJFIYGILJJ-UKRRQHHQSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595057310 478643686 /nfs/dbraw/zinc/64/36/86/478643686.db2.gz WRDJMZKLDZLQBZ-ZFWWWQNUSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595057310 478643691 /nfs/dbraw/zinc/64/36/91/478643691.db2.gz WRDJMZKLDZLQBZ-ZFWWWQNUSA-N 2 2 348.447 2.774 20 5 EFBDLP O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491885693 478723428 /nfs/dbraw/zinc/72/34/28/478723428.db2.gz OZGFBKBUXGKFFX-ZZXKWVIFSA-N 2 2 335.323 2.827 20 5 EFBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253740 479324715 /nfs/dbraw/zinc/32/47/15/479324715.db2.gz MTRCFOGFUCRZEK-UHFFFAOYSA-N 2 2 349.431 2.671 20 5 EFBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253740 479324719 /nfs/dbraw/zinc/32/47/19/479324719.db2.gz MTRCFOGFUCRZEK-UHFFFAOYSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273781 479333469 /nfs/dbraw/zinc/33/34/69/479333469.db2.gz QYYWFGILDZKSHQ-UKRRQHHQSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273781 479333473 /nfs/dbraw/zinc/33/34/73/479333473.db2.gz QYYWFGILDZKSHQ-UKRRQHHQSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273781 479333476 /nfs/dbraw/zinc/33/34/76/479333476.db2.gz QYYWFGILDZKSHQ-UKRRQHHQSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273781 479333480 /nfs/dbraw/zinc/33/34/80/479333480.db2.gz QYYWFGILDZKSHQ-UKRRQHHQSA-N 2 2 349.431 2.671 20 5 EFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274528 479334516 /nfs/dbraw/zinc/33/45/16/479334516.db2.gz KPUWTZIQIBGCEZ-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274528 479334519 /nfs/dbraw/zinc/33/45/19/479334519.db2.gz KPUWTZIQIBGCEZ-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274528 479334526 /nfs/dbraw/zinc/33/45/26/479334526.db2.gz KPUWTZIQIBGCEZ-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274528 479334535 /nfs/dbraw/zinc/33/45/35/479334535.db2.gz KPUWTZIQIBGCEZ-AWEZNQCLSA-N 2 2 349.431 2.530 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000602517671 479377442 /nfs/dbraw/zinc/37/74/42/479377442.db2.gz JFRMSGNNKTUMMI-UHFFFAOYSA-N 2 2 330.388 2.700 20 5 EFBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665435 479460091 /nfs/dbraw/zinc/46/00/91/479460091.db2.gz JHSAVIJRYKBQDB-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665435 479460096 /nfs/dbraw/zinc/46/00/96/479460096.db2.gz JHSAVIJRYKBQDB-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665435 479460101 /nfs/dbraw/zinc/46/01/01/479460101.db2.gz JHSAVIJRYKBQDB-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665435 479460103 /nfs/dbraw/zinc/46/01/03/479460103.db2.gz JHSAVIJRYKBQDB-SWLSCSKDSA-N 2 2 330.388 2.652 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000618567939 479495478 /nfs/dbraw/zinc/49/54/78/479495478.db2.gz MJLDXJKWEWPWBE-HYVNUMGLSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000618567939 479495486 /nfs/dbraw/zinc/49/54/86/479495486.db2.gz MJLDXJKWEWPWBE-HYVNUMGLSA-N 2 2 347.463 2.882 20 5 EFBDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198055 479496602 /nfs/dbraw/zinc/49/66/02/479496602.db2.gz VGDWBFMGWUDFTP-UHFFFAOYSA-N 2 2 337.420 2.530 20 5 EFBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198055 479496608 /nfs/dbraw/zinc/49/66/08/479496608.db2.gz VGDWBFMGWUDFTP-UHFFFAOYSA-N 2 2 337.420 2.530 20 5 EFBDLP COC1CC[NH+](CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615724085 479744705 /nfs/dbraw/zinc/74/47/05/479744705.db2.gz LKRJVIBRDUVUFM-QINSGFPZSA-N 2 2 333.432 2.699 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677556 480362823 /nfs/dbraw/zinc/36/28/23/480362823.db2.gz HCSLNGNLQWWSJA-INIZCTEOSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677556 480362829 /nfs/dbraw/zinc/36/28/29/480362829.db2.gz HCSLNGNLQWWSJA-INIZCTEOSA-N 2 2 332.448 2.508 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279974 480603659 /nfs/dbraw/zinc/60/36/59/480603659.db2.gz LYWSHEFRHQLFDS-CYBMUJFWSA-N 2 2 326.360 2.505 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279974 480603669 /nfs/dbraw/zinc/60/36/69/480603669.db2.gz LYWSHEFRHQLFDS-CYBMUJFWSA-N 2 2 326.360 2.505 20 5 EFBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920786 524578271 /nfs/dbraw/zinc/57/82/71/524578271.db2.gz PXVOORNDVKHZQC-IAGOWNOFSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893841 524859972 /nfs/dbraw/zinc/85/99/72/524859972.db2.gz UXTIKDYLEBQCBV-JQWIXIFHSA-N 2 2 342.237 2.917 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893841 524859986 /nfs/dbraw/zinc/85/99/86/524859986.db2.gz UXTIKDYLEBQCBV-JQWIXIFHSA-N 2 2 342.237 2.917 20 5 EFBDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414944700 536805544 /nfs/dbraw/zinc/80/55/44/536805544.db2.gz ONPCDLYGGZWFSK-ZDUSSCGKSA-N 2 2 345.399 2.619 20 5 EFBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658132 576385141 /nfs/dbraw/zinc/38/51/41/576385141.db2.gz CJUUWYJCYLNTJL-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658132 576385143 /nfs/dbraw/zinc/38/51/43/576385143.db2.gz CJUUWYJCYLNTJL-CYBMUJFWSA-N 2 2 341.839 2.839 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170298564 1278982199 /nfs/dbraw/zinc/98/21/99/1278982199.db2.gz MLNBLCVMHQADLL-OAHLLOKOSA-N 2 2 335.448 2.856 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170298563 1278982994 /nfs/dbraw/zinc/98/29/94/1278982994.db2.gz MLNBLCVMHQADLL-HNNXBMFYSA-N 2 2 335.448 2.856 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317704 1279012482 /nfs/dbraw/zinc/01/24/82/1279012482.db2.gz JRFFLKPJJPCFLH-HOCLYGCPSA-N 2 2 335.448 2.854 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317704 1279012487 /nfs/dbraw/zinc/01/24/87/1279012487.db2.gz JRFFLKPJJPCFLH-HOCLYGCPSA-N 2 2 335.448 2.854 20 5 EFBDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558744 1287595345 /nfs/dbraw/zinc/59/53/45/1287595345.db2.gz MSVLQYAASJNLQH-LBPRGKRZSA-N 2 2 329.404 2.603 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC001173179197 1286453655 /nfs/dbraw/zinc/45/36/55/1286453655.db2.gz NYKLSXBAEOXAMK-CHWSQXEVSA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)c1F ZINC001173179197 1286453657 /nfs/dbraw/zinc/45/36/57/1286453657.db2.gz NYKLSXBAEOXAMK-CHWSQXEVSA-N 2 2 339.411 2.746 20 5 EFBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229651 1286482881 /nfs/dbraw/zinc/48/28/81/1286482881.db2.gz OQCQVNXKMPKNAH-IFXJQAMLSA-N 2 2 325.412 2.911 20 5 EFBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229651 1286482887 /nfs/dbraw/zinc/48/28/87/1286482887.db2.gz OQCQVNXKMPKNAH-IFXJQAMLSA-N 2 2 325.412 2.911 20 5 EFBDLP CC[NH+](CC)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000800218142 1293962040 /nfs/dbraw/zinc/96/20/40/1293962040.db2.gz LEAZTWALQZNSPG-UHFFFAOYSA-N 2 2 346.387 2.669 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134281 1295288340 /nfs/dbraw/zinc/28/83/40/1295288340.db2.gz GTCKZGJLZFPEPK-AWEZNQCLSA-N 2 2 342.399 2.709 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134281 1295288344 /nfs/dbraw/zinc/28/83/44/1295288344.db2.gz GTCKZGJLZFPEPK-AWEZNQCLSA-N 2 2 342.399 2.709 20 5 EFBDLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000903792909 1313222991 /nfs/dbraw/zinc/22/29/91/1313222991.db2.gz JMXFNYWPUYLUJT-UHFFFAOYSA-N 2 2 341.411 2.793 20 5 EFBDLP C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000246565345 1301689526 /nfs/dbraw/zinc/68/95/26/1301689526.db2.gz KUNHIMLGSAWDKI-SUMWQHHRSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000246565345 1301689536 /nfs/dbraw/zinc/68/95/36/1301689536.db2.gz KUNHIMLGSAWDKI-SUMWQHHRSA-N 2 2 340.387 2.682 20 5 EFBDLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000090003450 1314032870 /nfs/dbraw/zinc/03/28/70/1314032870.db2.gz GREHWHAFRPZNQF-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000090003450 1314032872 /nfs/dbraw/zinc/03/28/72/1314032872.db2.gz GREHWHAFRPZNQF-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP C[N+](C)(C)CCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224621039 1311414768 /nfs/dbraw/zinc/41/47/68/1311414768.db2.gz IYWCTGQDLZHHNS-CYBMUJFWSA-N 2 2 332.921 2.874 20 5 EFBDLP C[N+](C)(C)CCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224621039 1311414771 /nfs/dbraw/zinc/41/47/71/1311414771.db2.gz IYWCTGQDLZHHNS-CYBMUJFWSA-N 2 2 332.921 2.874 20 5 EFBDLP CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428425 1312241690 /nfs/dbraw/zinc/24/16/90/1312241690.db2.gz YFMQUSXNLPSJON-XFQXTVEOSA-N 2 2 349.495 2.704 20 5 EFBDLP CCC[N@H+]1CCO[C@@H]2c3cc(O[C@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428425 1312241692 /nfs/dbraw/zinc/24/16/92/1312241692.db2.gz YFMQUSXNLPSJON-XFQXTVEOSA-N 2 2 349.495 2.704 20 5 EFBDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344198 1312584717 /nfs/dbraw/zinc/58/47/17/1312584717.db2.gz NANPLOFYXONIOW-LSDHHAIUSA-N 2 2 335.452 2.597 20 5 EFBDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344198 1312584721 /nfs/dbraw/zinc/58/47/21/1312584721.db2.gz NANPLOFYXONIOW-LSDHHAIUSA-N 2 2 335.452 2.597 20 5 EFBDLP Cc1[nH+]c2c(n1-c1ccc3ccc4cccnc4c3n1)CC[NH2+]CC2 ZINC001165351783 1312614064 /nfs/dbraw/zinc/61/40/64/1312614064.db2.gz JMLGVXKZQZAUAS-UHFFFAOYSA-N 2 2 329.407 2.965 20 5 EFBDLP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582735 1314652233 /nfs/dbraw/zinc/65/22/33/1314652233.db2.gz SPCWXQQVNUPKOI-GUYCJALGSA-N 2 2 339.411 2.687 20 5 EFBDLP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582735 1314652236 /nfs/dbraw/zinc/65/22/36/1314652236.db2.gz SPCWXQQVNUPKOI-GUYCJALGSA-N 2 2 339.411 2.687 20 5 EFBDLP C[N@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH+](C)CC1 ZINC001254476928 1315708138 /nfs/dbraw/zinc/70/81/38/1315708138.db2.gz XKTSBZSSYUULAO-UHFFFAOYSA-N 2 2 332.448 2.590 20 5 EFBDLP C[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH+](C)CC1 ZINC001254476928 1315708141 /nfs/dbraw/zinc/70/81/41/1315708141.db2.gz XKTSBZSSYUULAO-UHFFFAOYSA-N 2 2 332.448 2.590 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254604625 1315729928 /nfs/dbraw/zinc/72/99/28/1315729928.db2.gz WXIQEDDSQANYAQ-IBGZPJMESA-N 2 2 347.434 2.960 20 5 EFBDLP COc1c(O)ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC001335468235 1331353883 /nfs/dbraw/zinc/35/38/83/1331353883.db2.gz RVPMEUGORJARMB-AWEZNQCLSA-N 2 2 339.436 2.765 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268812 715212222 /nfs/dbraw/zinc/21/22/22/715212222.db2.gz JGDLQECLHAZFLN-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268812 715212224 /nfs/dbraw/zinc/21/22/24/715212224.db2.gz JGDLQECLHAZFLN-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268812 715212226 /nfs/dbraw/zinc/21/22/26/715212226.db2.gz JGDLQECLHAZFLN-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268812 715212227 /nfs/dbraw/zinc/21/22/27/715212227.db2.gz JGDLQECLHAZFLN-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892448630 717516463 /nfs/dbraw/zinc/51/64/63/717516463.db2.gz COYLBKOHKBDHMS-ZDUSSCGKSA-N 2 2 337.420 2.663 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892448630 717516470 /nfs/dbraw/zinc/51/64/70/717516470.db2.gz COYLBKOHKBDHMS-ZDUSSCGKSA-N 2 2 337.420 2.663 20 5 EFBDLP O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001580770316 1091004159 /nfs/dbraw/zinc/00/41/59/1091004159.db2.gz QOORBFRGKZGHEP-UHFFFAOYSA-N 2 2 349.350 2.636 20 5 EFBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359509 243237598 /nfs/dbraw/zinc/23/75/98/243237598.db2.gz KJJZFNMGTBUDCZ-OLZOCXBDSA-N 2 2 345.403 2.589 20 5 EFBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359509 243237602 /nfs/dbraw/zinc/23/76/02/243237602.db2.gz KJJZFNMGTBUDCZ-OLZOCXBDSA-N 2 2 345.403 2.589 20 5 EFBDLP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111244115 220122755 /nfs/dbraw/zinc/12/27/55/220122755.db2.gz UUPQGSXMLTXMIZ-UHFFFAOYSA-N 2 2 330.388 2.897 20 5 EFBDLP C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375141 248231716 /nfs/dbraw/zinc/23/17/16/248231716.db2.gz ZWGBTBCTXKCEPR-ABAIWWIYSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375141 248231717 /nfs/dbraw/zinc/23/17/17/248231717.db2.gz ZWGBTBCTXKCEPR-ABAIWWIYSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377695 248232211 /nfs/dbraw/zinc/23/22/11/248232211.db2.gz FJFMWAVWRKWUBR-YPMHNXCESA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377695 248232213 /nfs/dbraw/zinc/23/22/13/248232213.db2.gz FJFMWAVWRKWUBR-YPMHNXCESA-N 2 2 332.429 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385001 248234379 /nfs/dbraw/zinc/23/43/79/248234379.db2.gz PEKMCCDWSMMBIO-UHOFOFEASA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385001 248234382 /nfs/dbraw/zinc/23/43/82/248234382.db2.gz PEKMCCDWSMMBIO-UHOFOFEASA-N 2 2 344.440 2.887 20 5 EFBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388465 248235882 /nfs/dbraw/zinc/23/58/82/248235882.db2.gz HBBKFPVWVBSPPS-GFCCVEGCSA-N 2 2 332.429 2.889 20 5 EFBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388465 248235885 /nfs/dbraw/zinc/23/58/85/248235885.db2.gz HBBKFPVWVBSPPS-GFCCVEGCSA-N 2 2 332.429 2.889 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043330 218109555 /nfs/dbraw/zinc/10/95/55/218109555.db2.gz AZKLAYRJMSGDKB-HIFRSBDPSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043330 218109558 /nfs/dbraw/zinc/10/95/58/218109558.db2.gz AZKLAYRJMSGDKB-HIFRSBDPSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043330 218109560 /nfs/dbraw/zinc/10/95/60/218109560.db2.gz AZKLAYRJMSGDKB-HIFRSBDPSA-N 2 2 349.431 2.528 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043330 218109562 /nfs/dbraw/zinc/10/95/62/218109562.db2.gz AZKLAYRJMSGDKB-HIFRSBDPSA-N 2 2 349.431 2.528 20 5 EFBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345226 224240569 /nfs/dbraw/zinc/24/05/69/224240569.db2.gz USJKNQCICVDYKR-FUHWJXTLSA-N 2 2 333.432 2.579 20 5 EFBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345226 224240571 /nfs/dbraw/zinc/24/05/71/224240571.db2.gz USJKNQCICVDYKR-FUHWJXTLSA-N 2 2 333.432 2.579 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000468650444 256017670 /nfs/dbraw/zinc/01/76/70/256017670.db2.gz HFHHBGKEWBBMSE-SCFJZMLDSA-N 2 2 347.459 2.945 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000468650444 256017674 /nfs/dbraw/zinc/01/76/74/256017674.db2.gz HFHHBGKEWBBMSE-SCFJZMLDSA-N 2 2 347.459 2.945 20 5 EFBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663663 142057957 /nfs/dbraw/zinc/05/79/57/142057957.db2.gz IBSUTMMRLBAVKB-PWSUYJOCSA-N 2 2 329.347 2.769 20 5 EFBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000344663663 142057958 /nfs/dbraw/zinc/05/79/58/142057958.db2.gz IBSUTMMRLBAVKB-PWSUYJOCSA-N 2 2 329.347 2.769 20 5 EFBDLP [NH3+]CCN(Cc1ccc(N2CCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000348907085 146022492 /nfs/dbraw/zinc/02/24/92/146022492.db2.gz VZFZQGPOFXNWAX-UHFFFAOYSA-N 2 2 341.415 2.555 20 5 EFBDLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000348919811 146024585 /nfs/dbraw/zinc/02/45/85/146024585.db2.gz HRQHROQYOVNXLF-UHFFFAOYSA-N 2 2 337.383 2.746 20 5 EFBDLP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000433240012 277588925 /nfs/dbraw/zinc/58/89/25/277588925.db2.gz JZWUZBFFFFJCRW-KSSFIOAISA-N 2 2 347.459 2.875 20 5 EFBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623098 311398277 /nfs/dbraw/zinc/39/82/77/311398277.db2.gz RGNITBLBIKYKJQ-IEBWSBKVSA-N 2 2 347.459 2.655 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414895667 312058879 /nfs/dbraw/zinc/05/88/79/312058879.db2.gz YNCODLKWOPVRIE-HNNXBMFYSA-N 2 2 331.372 2.690 20 5 EFBDLP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414937816 312067178 /nfs/dbraw/zinc/06/71/78/312067178.db2.gz XJKPLAVWRBTRLC-CYBMUJFWSA-N 2 2 345.399 2.619 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)n1 ZINC000551573081 318210242 /nfs/dbraw/zinc/21/02/42/318210242.db2.gz ZRGUJSYMQCQWMR-LSDHHAIUSA-N 2 2 344.419 2.598 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000565755281 318998386 /nfs/dbraw/zinc/99/83/86/318998386.db2.gz ISSXOKHJOJEKHR-LSDHHAIUSA-N 2 2 332.408 2.542 20 5 EFBDLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000163634883 473459860 /nfs/dbraw/zinc/45/98/60/473459860.db2.gz YRJPYLWGKXJZTE-GOSISDBHSA-N 2 2 347.459 2.616 20 5 EFBDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331167 473493109 /nfs/dbraw/zinc/49/31/09/473493109.db2.gz PCUDECDIVNUQEI-ZWKOTPCHSA-N 2 2 335.448 2.992 20 5 EFBDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331167 473493114 /nfs/dbraw/zinc/49/31/14/473493114.db2.gz PCUDECDIVNUQEI-ZWKOTPCHSA-N 2 2 335.448 2.992 20 5 EFBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000263676020 473803639 /nfs/dbraw/zinc/80/36/39/473803639.db2.gz HCVGAOILTUWXGA-UHFFFAOYSA-N 2 2 349.431 2.766 20 5 EFBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000263676020 473803648 /nfs/dbraw/zinc/80/36/48/473803648.db2.gz HCVGAOILTUWXGA-UHFFFAOYSA-N 2 2 349.431 2.766 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246684423 473933712 /nfs/dbraw/zinc/93/37/12/473933712.db2.gz WBTQXHSKUHDIMG-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246684423 473933714 /nfs/dbraw/zinc/93/37/14/473933714.db2.gz WBTQXHSKUHDIMG-CZUORRHYSA-N 2 2 330.388 2.883 20 5 EFBDLP Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270111099 473993980 /nfs/dbraw/zinc/99/39/80/473993980.db2.gz DQNYVXHCBYUMBX-ZDUSSCGKSA-N 2 2 327.388 2.724 20 5 EFBDLP Cc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270111099 473993988 /nfs/dbraw/zinc/99/39/88/473993988.db2.gz DQNYVXHCBYUMBX-ZDUSSCGKSA-N 2 2 327.388 2.724 20 5 EFBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182803137 474259683 /nfs/dbraw/zinc/25/96/83/474259683.db2.gz XRVMOSWEJYDPIU-UHFFFAOYSA-N 2 2 330.388 2.725 20 5 EFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180335 474280134 /nfs/dbraw/zinc/28/01/34/474280134.db2.gz WITPPCQKBLWZOF-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180335 474280141 /nfs/dbraw/zinc/28/01/41/474280141.db2.gz WITPPCQKBLWZOF-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180335 474280145 /nfs/dbraw/zinc/28/01/45/474280145.db2.gz WITPPCQKBLWZOF-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180335 474280151 /nfs/dbraw/zinc/28/01/51/474280151.db2.gz WITPPCQKBLWZOF-IUODEOHRSA-N 2 2 330.388 2.652 20 5 EFBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266950068 474544583 /nfs/dbraw/zinc/54/45/83/474544583.db2.gz UGQMEWIKEQEYRX-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266950068 474544586 /nfs/dbraw/zinc/54/45/86/474544586.db2.gz UGQMEWIKEQEYRX-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658751 475014973 /nfs/dbraw/zinc/01/49/73/475014973.db2.gz IASMPGCHNWAYIF-INIZCTEOSA-N 2 2 332.429 2.889 20 5 EFBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658751 475014984 /nfs/dbraw/zinc/01/49/84/475014984.db2.gz IASMPGCHNWAYIF-INIZCTEOSA-N 2 2 332.429 2.889 20 5 EFBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658753 475015368 /nfs/dbraw/zinc/01/53/68/475015368.db2.gz IASMPGCHNWAYIF-MRXNPFEDSA-N 2 2 332.429 2.889 20 5 EFBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658753 475015373 /nfs/dbraw/zinc/01/53/73/475015373.db2.gz IASMPGCHNWAYIF-MRXNPFEDSA-N 2 2 332.429 2.889 20 5 EFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000268830470 475046239 /nfs/dbraw/zinc/04/62/39/475046239.db2.gz BZGJJLRAHGXOQG-UHFFFAOYSA-N 2 2 326.400 2.791 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013509 475144103 /nfs/dbraw/zinc/14/41/03/475144103.db2.gz MMBAYLMIXNPGBR-QGZVFWFLSA-N 2 2 344.440 2.904 20 5 EFBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013509 475144115 /nfs/dbraw/zinc/14/41/15/475144115.db2.gz MMBAYLMIXNPGBR-QGZVFWFLSA-N 2 2 344.440 2.904 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306595 475594409 /nfs/dbraw/zinc/59/44/09/475594409.db2.gz GWJPHCDGNOYKKM-BBRMVZONSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306595 475594414 /nfs/dbraw/zinc/59/44/14/475594414.db2.gz GWJPHCDGNOYKKM-BBRMVZONSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306595 475594421 /nfs/dbraw/zinc/59/44/21/475594421.db2.gz GWJPHCDGNOYKKM-BBRMVZONSA-N 2 2 349.431 2.766 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306595 475594426 /nfs/dbraw/zinc/59/44/26/475594426.db2.gz GWJPHCDGNOYKKM-BBRMVZONSA-N 2 2 349.431 2.766 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777906 475613369 /nfs/dbraw/zinc/61/33/69/475613369.db2.gz IHKKTWUTSCFIGO-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777906 475613378 /nfs/dbraw/zinc/61/33/78/475613378.db2.gz IHKKTWUTSCFIGO-CQSZACIVSA-N 2 2 344.415 2.792 20 5 EFBDLP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000361698115 475673951 /nfs/dbraw/zinc/67/39/51/475673951.db2.gz BRUSJMILTYWWIF-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361755468 475724936 /nfs/dbraw/zinc/72/49/36/475724936.db2.gz QWGUJTAOHDGTRW-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP CC[NH+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516683 476038060 /nfs/dbraw/zinc/03/80/60/476038060.db2.gz JCILKKNWPDZGIP-WMLDXEAASA-N 2 2 345.447 2.738 20 5 EFBDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976482 476344347 /nfs/dbraw/zinc/34/43/47/476344347.db2.gz XSVTXKYUSRHKFV-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976482 476344351 /nfs/dbraw/zinc/34/43/51/476344351.db2.gz XSVTXKYUSRHKFV-OAGGEKHMSA-N 2 2 335.452 2.739 20 5 EFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099035 476425768 /nfs/dbraw/zinc/42/57/68/476425768.db2.gz AQYOSHGQUGBNKJ-INIZCTEOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099035 476425775 /nfs/dbraw/zinc/42/57/75/476425775.db2.gz AQYOSHGQUGBNKJ-INIZCTEOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099035 476425782 /nfs/dbraw/zinc/42/57/82/476425782.db2.gz AQYOSHGQUGBNKJ-INIZCTEOSA-N 2 2 333.432 2.767 20 5 EFBDLP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099035 476425787 /nfs/dbraw/zinc/42/57/87/476425787.db2.gz AQYOSHGQUGBNKJ-INIZCTEOSA-N 2 2 333.432 2.767 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622363 476651930 /nfs/dbraw/zinc/65/19/30/476651930.db2.gz FKGKTHVSOJBASP-HNNXBMFYSA-N 2 2 344.415 2.977 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622363 476651933 /nfs/dbraw/zinc/65/19/33/476651933.db2.gz FKGKTHVSOJBASP-HNNXBMFYSA-N 2 2 344.415 2.977 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000370201893 476694831 /nfs/dbraw/zinc/69/48/31/476694831.db2.gz PWDDCKDKSRWLEZ-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000370201893 476694838 /nfs/dbraw/zinc/69/48/38/476694838.db2.gz PWDDCKDKSRWLEZ-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000447575086 477015221 /nfs/dbraw/zinc/01/52/21/477015221.db2.gz QFHFYVKADIOTBA-GJZGRUSLSA-N 2 2 344.419 2.762 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000447591437 477019582 /nfs/dbraw/zinc/01/95/82/477019582.db2.gz ICXRBCWQABBTNP-BRWVUGGUSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000447591437 477019590 /nfs/dbraw/zinc/01/95/90/477019590.db2.gz ICXRBCWQABBTNP-BRWVUGGUSA-N 2 2 347.463 2.882 20 5 EFBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026612 477119454 /nfs/dbraw/zinc/11/94/54/477119454.db2.gz JBQIGZOXFOYULG-JYJNAYRXSA-N 2 2 349.479 2.985 20 5 EFBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026612 477119462 /nfs/dbraw/zinc/11/94/62/477119462.db2.gz JBQIGZOXFOYULG-JYJNAYRXSA-N 2 2 349.479 2.985 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263870 477202342 /nfs/dbraw/zinc/20/23/42/477202342.db2.gz UKXPGFCKPDPGCF-QZTJIDSGSA-N 2 2 335.448 2.872 20 5 EFBDLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263870 477202350 /nfs/dbraw/zinc/20/23/50/477202350.db2.gz UKXPGFCKPDPGCF-QZTJIDSGSA-N 2 2 335.448 2.872 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449071146 477422112 /nfs/dbraw/zinc/42/21/12/477422112.db2.gz AIVLCRYYFSQTOP-CQSZACIVSA-N 2 2 328.416 2.891 20 5 EFBDLP Cc1cc(NCC[C@@H]2CCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420213551 477639522 /nfs/dbraw/zinc/63/95/22/477639522.db2.gz UTADGPDOYUYOIV-AWEZNQCLSA-N 2 2 341.415 2.584 20 5 EFBDLP Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269239 477655455 /nfs/dbraw/zinc/65/54/55/477655455.db2.gz ZVSJNTAREAIBNU-WBMJQRKESA-N 2 2 341.415 2.924 20 5 EFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427881903 477783329 /nfs/dbraw/zinc/78/33/29/477783329.db2.gz KJAIQKKBFHBWRZ-TZMCWYRMSA-N 2 2 330.388 2.856 20 5 EFBDLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532537447 477942791 /nfs/dbraw/zinc/94/27/91/477942791.db2.gz NUUXAUJPMYJKPS-UHFFFAOYSA-N 2 2 348.447 2.586 20 5 EFBDLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532537447 477942799 /nfs/dbraw/zinc/94/27/99/477942799.db2.gz NUUXAUJPMYJKPS-UHFFFAOYSA-N 2 2 348.447 2.586 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729642 478491845 /nfs/dbraw/zinc/49/18/45/478491845.db2.gz ZAHSWSPBLPFHDS-AAEUAGOBSA-N 2 2 347.337 2.563 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729642 478491849 /nfs/dbraw/zinc/49/18/49/478491849.db2.gz ZAHSWSPBLPFHDS-AAEUAGOBSA-N 2 2 347.337 2.563 20 5 EFBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000594739261 478523857 /nfs/dbraw/zinc/52/38/57/478523857.db2.gz QYEVEGFGXAKJRJ-QZTJIDSGSA-N 2 2 329.375 2.969 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595057308 478643252 /nfs/dbraw/zinc/64/32/52/478643252.db2.gz WRDJMZKLDZLQBZ-UKRRQHHQSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595057308 478643259 /nfs/dbraw/zinc/64/32/59/478643259.db2.gz WRDJMZKLDZLQBZ-UKRRQHHQSA-N 2 2 348.447 2.774 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000601103254 478656527 /nfs/dbraw/zinc/65/65/27/478656527.db2.gz RTFAEUKXYAILJQ-UHFFFAOYSA-N 2 2 337.383 2.752 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596152037 479166843 /nfs/dbraw/zinc/16/68/43/479166843.db2.gz UYBLLUXZGQCAFO-UHFFFAOYSA-N 2 2 342.390 2.970 20 5 EFBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000610799005 479192017 /nfs/dbraw/zinc/19/20/17/479192017.db2.gz KKBBYZHAKXJNSH-CABCVRRESA-N 2 2 348.447 2.776 20 5 EFBDLP Cc1c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718321 479315741 /nfs/dbraw/zinc/31/57/41/479315741.db2.gz CKORFFGVTRVEDT-KRWDZBQOSA-N 2 2 333.432 2.590 20 5 EFBDLP Cc1c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718321 479315747 /nfs/dbraw/zinc/31/57/47/479315747.db2.gz CKORFFGVTRVEDT-KRWDZBQOSA-N 2 2 333.432 2.590 20 5 EFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273782 479333967 /nfs/dbraw/zinc/33/39/67/479333967.db2.gz QYYWFGILDZKSHQ-ZFWWWQNUSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273782 479333973 /nfs/dbraw/zinc/33/39/73/479333973.db2.gz QYYWFGILDZKSHQ-ZFWWWQNUSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273782 479333975 /nfs/dbraw/zinc/33/39/75/479333975.db2.gz QYYWFGILDZKSHQ-ZFWWWQNUSA-N 2 2 349.431 2.671 20 5 EFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273782 479333980 /nfs/dbraw/zinc/33/39/80/479333980.db2.gz QYYWFGILDZKSHQ-ZFWWWQNUSA-N 2 2 349.431 2.671 20 5 EFBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383426 479363173 /nfs/dbraw/zinc/36/31/73/479363173.db2.gz KHIWOZKOOAOOIQ-DNVCBOLYSA-N 2 2 343.427 2.738 20 5 EFBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383426 479363179 /nfs/dbraw/zinc/36/31/79/479363179.db2.gz KHIWOZKOOAOOIQ-DNVCBOLYSA-N 2 2 343.427 2.738 20 5 EFBDLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733365 479437454 /nfs/dbraw/zinc/43/74/54/479437454.db2.gz LWSDGMRJMXOKNJ-WFASDCNBSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733365 479437460 /nfs/dbraw/zinc/43/74/60/479437460.db2.gz LWSDGMRJMXOKNJ-WFASDCNBSA-N 2 2 345.403 2.594 20 5 EFBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCCCC2)n1 ZINC000618562104 479492835 /nfs/dbraw/zinc/49/28/35/479492835.db2.gz YXZQLYHTPWETKN-CVEARBPZSA-N 2 2 335.452 2.741 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677557 480363483 /nfs/dbraw/zinc/36/34/83/480363483.db2.gz HCSLNGNLQWWSJA-MRXNPFEDSA-N 2 2 332.448 2.508 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677557 480363489 /nfs/dbraw/zinc/36/34/89/480363489.db2.gz HCSLNGNLQWWSJA-MRXNPFEDSA-N 2 2 332.448 2.508 20 5 EFBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378767 536467861 /nfs/dbraw/zinc/46/78/61/536467861.db2.gz GHZRLVMZVMJNIF-GFCCVEGCSA-N 2 2 332.429 2.760 20 5 EFBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378767 536467865 /nfs/dbraw/zinc/46/78/65/536467865.db2.gz GHZRLVMZVMJNIF-GFCCVEGCSA-N 2 2 332.429 2.760 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000755756093 575628679 /nfs/dbraw/zinc/62/86/79/575628679.db2.gz QSCONRGPQZXWAL-AWEZNQCLSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000755756093 575628683 /nfs/dbraw/zinc/62/86/83/575628683.db2.gz QSCONRGPQZXWAL-AWEZNQCLSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000755756096 575628753 /nfs/dbraw/zinc/62/87/53/575628753.db2.gz QSCONRGPQZXWAL-CQSZACIVSA-N 2 2 340.387 2.572 20 5 EFBDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000755756096 575628755 /nfs/dbraw/zinc/62/87/55/575628755.db2.gz QSCONRGPQZXWAL-CQSZACIVSA-N 2 2 340.387 2.572 20 5 EFBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712884 575779916 /nfs/dbraw/zinc/77/99/16/575779916.db2.gz DENGSZSOGQPOFV-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712884 575779920 /nfs/dbraw/zinc/77/99/20/575779920.db2.gz DENGSZSOGQPOFV-MRXNPFEDSA-N 2 2 332.448 2.591 20 5 EFBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000765257001 577023919 /nfs/dbraw/zinc/02/39/19/577023919.db2.gz FPVIFGNIJWERBT-UHFFFAOYSA-N 2 2 343.431 2.830 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499939 577278574 /nfs/dbraw/zinc/27/85/74/577278574.db2.gz NGJMOLCMMNLGGP-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499939 577278575 /nfs/dbraw/zinc/27/85/75/577278575.db2.gz NGJMOLCMMNLGGP-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499939 577278576 /nfs/dbraw/zinc/27/85/76/577278576.db2.gz NGJMOLCMMNLGGP-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499939 577278577 /nfs/dbraw/zinc/27/85/77/577278577.db2.gz NGJMOLCMMNLGGP-YOEHRIQHSA-N 2 2 343.431 2.627 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000774132360 581484756 /nfs/dbraw/zinc/48/47/56/581484756.db2.gz AETSHFDAMNHKNY-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025755 1272621953 /nfs/dbraw/zinc/62/19/53/1272621953.db2.gz UTFUHWNZPNVFMJ-HRCADAONSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025755 1272621963 /nfs/dbraw/zinc/62/19/63/1272621963.db2.gz UTFUHWNZPNVFMJ-HRCADAONSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025755 1272621983 /nfs/dbraw/zinc/62/19/83/1272621983.db2.gz UTFUHWNZPNVFMJ-HRCADAONSA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025757 1272622535 /nfs/dbraw/zinc/62/25/35/1272622535.db2.gz UTFUHWNZPNVFMJ-OWCLPIDISA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025757 1272622542 /nfs/dbraw/zinc/62/25/42/1272622542.db2.gz UTFUHWNZPNVFMJ-OWCLPIDISA-N 2 2 349.479 2.545 20 5 EFBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025757 1272622558 /nfs/dbraw/zinc/62/25/58/1272622558.db2.gz UTFUHWNZPNVFMJ-OWCLPIDISA-N 2 2 349.479 2.545 20 5 EFBDLP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355033 1279033969 /nfs/dbraw/zinc/03/39/69/1279033969.db2.gz UZNHISSBSHPZSL-CQSZACIVSA-N 2 2 335.448 2.951 20 5 EFBDLP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355033 1279033982 /nfs/dbraw/zinc/03/39/82/1279033982.db2.gz UZNHISSBSHPZSL-CQSZACIVSA-N 2 2 335.448 2.951 20 5 EFBDLP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355032 1279034555 /nfs/dbraw/zinc/03/45/55/1279034555.db2.gz UZNHISSBSHPZSL-AWEZNQCLSA-N 2 2 335.448 2.951 20 5 EFBDLP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355032 1279034562 /nfs/dbraw/zinc/03/45/62/1279034562.db2.gz UZNHISSBSHPZSL-AWEZNQCLSA-N 2 2 335.448 2.951 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170356062 1279035772 /nfs/dbraw/zinc/03/57/72/1279035772.db2.gz VRTPGMQDLGNEDO-CQSZACIVSA-N 2 2 333.432 2.705 20 5 EFBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140568 1294725957 /nfs/dbraw/zinc/72/59/57/1294725957.db2.gz KMBIBUJPXGOZMU-MAUKXSAKSA-N 2 2 340.427 2.990 20 5 EFBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140568 1294725971 /nfs/dbraw/zinc/72/59/71/1294725971.db2.gz KMBIBUJPXGOZMU-MAUKXSAKSA-N 2 2 340.427 2.990 20 5 EFBDLP Cc1nn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121207127 1303783648 /nfs/dbraw/zinc/78/36/48/1303783648.db2.gz HUHOJANIZUZSQR-UHFFFAOYSA-N 2 2 340.387 2.744 20 5 EFBDLP CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428424 1312241515 /nfs/dbraw/zinc/24/15/15/1312241515.db2.gz YFMQUSXNLPSJON-QKYXUNIQSA-N 2 2 349.495 2.704 20 5 EFBDLP CCC[N@H+]1CCO[C@@H]2c3cc(O[C@@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428424 1312241518 /nfs/dbraw/zinc/24/15/18/1312241518.db2.gz YFMQUSXNLPSJON-QKYXUNIQSA-N 2 2 349.495 2.704 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC001246508179 1314639584 /nfs/dbraw/zinc/63/95/84/1314639584.db2.gz QRDRTLPQNKTQNW-SUMWQHHRSA-N 2 2 329.400 2.824 20 5 EFBDLP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001246507261 1314639596 /nfs/dbraw/zinc/63/95/96/1314639596.db2.gz MLZWOWPKYMCSFP-LJQANCHMSA-N 2 2 340.427 2.853 20 5 EFBDLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465964 1315707020 /nfs/dbraw/zinc/70/70/20/1315707020.db2.gz RPPCKNIRTLUDAJ-INIZCTEOSA-N 2 2 332.448 2.636 20 5 EFBDLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465964 1315707023 /nfs/dbraw/zinc/70/70/23/1315707023.db2.gz RPPCKNIRTLUDAJ-INIZCTEOSA-N 2 2 332.448 2.636 20 5 EFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480427 1315708362 /nfs/dbraw/zinc/70/83/62/1315708362.db2.gz GCEQTVANBFFWLM-BEFAXECRSA-N 2 2 344.459 2.590 20 5 EFBDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480427 1315708364 /nfs/dbraw/zinc/70/83/64/1315708364.db2.gz GCEQTVANBFFWLM-BEFAXECRSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480427 1315708366 /nfs/dbraw/zinc/70/83/66/1315708366.db2.gz GCEQTVANBFFWLM-BEFAXECRSA-N 2 2 344.459 2.590 20 5 EFBDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480427 1315708368 /nfs/dbraw/zinc/70/83/68/1315708368.db2.gz GCEQTVANBFFWLM-BEFAXECRSA-N 2 2 344.459 2.590 20 5 EFBDLP Cc1[nH+]cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CSCC[NH3+] ZINC001254573894 1315726168 /nfs/dbraw/zinc/72/61/68/1315726168.db2.gz DJBCJBKUPPAYJN-HNNXBMFYSA-N 2 2 332.429 2.632 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671107 1331191029 /nfs/dbraw/zinc/19/10/29/1331191029.db2.gz OLLIKWJHZYCIKF-CYBMUJFWSA-N 2 2 337.420 2.519 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671107 1331191032 /nfs/dbraw/zinc/19/10/32/1331191032.db2.gz OLLIKWJHZYCIKF-CYBMUJFWSA-N 2 2 337.420 2.519 20 5 EFBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482048 1334738779 /nfs/dbraw/zinc/73/87/79/1334738779.db2.gz KTLLXIQZXAVJAS-UHFFFAOYSA-N 2 2 340.387 2.634 20 5 EFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482048 1334738784 /nfs/dbraw/zinc/73/87/84/1334738784.db2.gz KTLLXIQZXAVJAS-UHFFFAOYSA-N 2 2 340.387 2.634 20 5 EFBDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116330 1088251965 /nfs/dbraw/zinc/25/19/65/1088251965.db2.gz RTZWEZBMSWEBBM-MRXNPFEDSA-N 2 2 336.392 2.700 20 5 EFBDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116330 1088251979 /nfs/dbraw/zinc/25/19/79/1088251979.db2.gz RTZWEZBMSWEBBM-MRXNPFEDSA-N 2 2 336.392 2.700 20 5 EFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000193815931 240322819 /nfs/dbraw/zinc/32/28/19/240322819.db2.gz ODFWSWIXGGMOLA-UHFFFAOYSA-N 2 2 331.332 2.537 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245517213 243121576 /nfs/dbraw/zinc/12/15/76/243121576.db2.gz GWEQRNSGQZEIMN-HOTGVXAUSA-N 2 2 333.432 2.618 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245517213 243121581 /nfs/dbraw/zinc/12/15/81/243121581.db2.gz GWEQRNSGQZEIMN-HOTGVXAUSA-N 2 2 333.432 2.618 20 5 EFBDLP COC[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]1 ZINC000414944185 244399152 /nfs/dbraw/zinc/39/91/52/244399152.db2.gz NRFOETPYGYCCBI-SFHVURJKSA-N 2 2 345.399 2.713 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377693 248231693 /nfs/dbraw/zinc/23/16/93/248231693.db2.gz FJFMWAVWRKWUBR-DGCLKSJQSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377693 248231694 /nfs/dbraw/zinc/23/16/94/248231694.db2.gz FJFMWAVWRKWUBR-DGCLKSJQSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377694 248233040 /nfs/dbraw/zinc/23/30/40/248233040.db2.gz FJFMWAVWRKWUBR-WCQYABFASA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377694 248233044 /nfs/dbraw/zinc/23/30/44/248233044.db2.gz FJFMWAVWRKWUBR-WCQYABFASA-N 2 2 332.429 2.887 20 5 EFBDLP Cc1ncsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000435429807 248240221 /nfs/dbraw/zinc/24/02/21/248240221.db2.gz ZRDJEFPYWQKFRF-OAHLLOKOSA-N 2 2 346.456 2.971 20 5 EFBDLP Cc1ncsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000435429807 248240223 /nfs/dbraw/zinc/24/02/23/248240223.db2.gz ZRDJEFPYWQKFRF-OAHLLOKOSA-N 2 2 346.456 2.971 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000444664563 250326385 /nfs/dbraw/zinc/32/63/85/250326385.db2.gz RGBWOFQDZZJMII-NSHDSACASA-N 2 2 326.360 2.574 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000444664563 250326390 /nfs/dbraw/zinc/32/63/90/250326390.db2.gz RGBWOFQDZZJMII-NSHDSACASA-N 2 2 326.360 2.574 20 5 EFBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345335 224240537 /nfs/dbraw/zinc/24/05/37/224240537.db2.gz USJKNQCICVDYKR-WMZOPIPTSA-N 2 2 333.432 2.579 20 5 EFBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345335 224240539 /nfs/dbraw/zinc/24/05/39/224240539.db2.gz USJKNQCICVDYKR-WMZOPIPTSA-N 2 2 333.432 2.579 20 5 EFBDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976483 276009292 /nfs/dbraw/zinc/00/92/92/276009292.db2.gz XSVTXKYUSRHKFV-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976483 276009293 /nfs/dbraw/zinc/00/92/93/276009293.db2.gz XSVTXKYUSRHKFV-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000433240014 279348849 /nfs/dbraw/zinc/34/88/49/279348849.db2.gz JZWUZBFFFFJCRW-RDTXWAMCSA-N 2 2 347.459 2.875 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158927617 293589331 /nfs/dbraw/zinc/58/93/31/293589331.db2.gz RAYJMHMBQSJONX-NVXWUHKLSA-N 2 2 335.448 2.647 20 5 EFBDLP CC1CC[NH+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709850 311410311 /nfs/dbraw/zinc/41/03/11/311410311.db2.gz CLUDQFSJPILFEZ-JKSUJKDBSA-N 2 2 335.452 2.597 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000619727051 479867792 /nfs/dbraw/zinc/86/77/92/479867792.db2.gz BQJGZBZXJNBOMS-DANOYGIBSA-N 2 2 345.443 2.652 20 5 EFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000619727051 479867799 /nfs/dbraw/zinc/86/77/99/479867799.db2.gz BQJGZBZXJNBOMS-DANOYGIBSA-N 2 2 345.443 2.652 20 5 EFBDLP Cc1cc[nH+]cc1CCC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459624432 478014629 /nfs/dbraw/zinc/01/46/29/478014629.db2.gz UWVYZRIASJGWAQ-UHFFFAOYSA-N 2 2 327.384 2.994 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000613379046 479981306 /nfs/dbraw/zinc/98/13/06/479981306.db2.gz XWJLKJRVSZFOFN-ZDUSSCGKSA-N 2 2 334.351 2.776 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000613379046 479981310 /nfs/dbraw/zinc/98/13/10/479981310.db2.gz XWJLKJRVSZFOFN-ZDUSSCGKSA-N 2 2 334.351 2.776 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000102419353 472576694 /nfs/dbraw/zinc/57/66/94/472576694.db2.gz BKDHJZBDWYANAP-UHFFFAOYSA-N 2 2 333.388 2.905 20 5 EFBDLP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000090909868 472664534 /nfs/dbraw/zinc/66/45/34/472664534.db2.gz ZBTFFGVQFRGWAX-UHFFFAOYSA-N 2 2 340.427 2.787 20 5 EFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664729 473133198 /nfs/dbraw/zinc/13/31/98/473133198.db2.gz RALPDXPAVBRIRJ-KRWDZBQOSA-N 2 2 347.459 2.872 20 5 EFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664729 473133202 /nfs/dbraw/zinc/13/32/02/473133202.db2.gz RALPDXPAVBRIRJ-KRWDZBQOSA-N 2 2 347.459 2.872 20 5 EFBDLP C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000192884629 473742011 /nfs/dbraw/zinc/74/20/11/473742011.db2.gz MBEXJAJTXVCAPB-RDTXWAMCSA-N 2 2 333.432 2.530 20 5 EFBDLP C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247591506 474187517 /nfs/dbraw/zinc/18/75/17/474187517.db2.gz MNUJDIUFHUCQNK-RHSMWYFYSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247591506 474187524 /nfs/dbraw/zinc/18/75/24/474187524.db2.gz MNUJDIUFHUCQNK-RHSMWYFYSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247731643 474204266 /nfs/dbraw/zinc/20/42/66/474204266.db2.gz VFXVHHKCGPYSEX-GOEBONIOSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247731643 474204267 /nfs/dbraw/zinc/20/42/67/474204267.db2.gz VFXVHHKCGPYSEX-GOEBONIOSA-N 2 2 330.388 2.753 20 5 EFBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000267377009 474666089 /nfs/dbraw/zinc/66/60/89/474666089.db2.gz AHLBCWJOCWRIRJ-CYBMUJFWSA-N 2 2 346.387 2.585 20 5 EFBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000267377009 474666098 /nfs/dbraw/zinc/66/60/98/474666098.db2.gz AHLBCWJOCWRIRJ-CYBMUJFWSA-N 2 2 346.387 2.585 20 5 EFBDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084814 474886414 /nfs/dbraw/zinc/88/64/14/474886414.db2.gz PWEXSVOBJFVDGO-KRWDZBQOSA-N 2 2 345.447 2.538 20 5 EFBDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084814 474886421 /nfs/dbraw/zinc/88/64/21/474886421.db2.gz PWEXSVOBJFVDGO-KRWDZBQOSA-N 2 2 345.447 2.538 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810945 474995041 /nfs/dbraw/zinc/99/50/41/474995041.db2.gz KDIYOUJVTFONGM-SQNIBIBYSA-N 2 2 333.432 2.889 20 5 EFBDLP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810945 474995050 /nfs/dbraw/zinc/99/50/50/474995050.db2.gz KDIYOUJVTFONGM-SQNIBIBYSA-N 2 2 333.432 2.889 20 5 EFBDLP O=[N+]([O-])c1ccccc1C=CCNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353124369 475699152 /nfs/dbraw/zinc/69/91/52/475699152.db2.gz JSVWPPZVAWSRKX-HYXAFXHYSA-N 2 2 335.367 2.782 20 5 EFBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855786 475916266 /nfs/dbraw/zinc/91/62/66/475916266.db2.gz VRTDCCONMPVWDE-JKSUJKDBSA-N 2 2 345.399 2.793 20 5 EFBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855786 475916274 /nfs/dbraw/zinc/91/62/74/475916274.db2.gz VRTDCCONMPVWDE-JKSUJKDBSA-N 2 2 345.399 2.793 20 5 EFBDLP CC(C)[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443943 475972451 /nfs/dbraw/zinc/97/24/51/475972451.db2.gz FBOMHTNKTOLNNL-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CC(C)[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443943 475972458 /nfs/dbraw/zinc/97/24/58/475972458.db2.gz FBOMHTNKTOLNNL-KRWDZBQOSA-N 2 2 345.447 2.738 20 5 EFBDLP CCCC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515295 476037272 /nfs/dbraw/zinc/03/72/72/476037272.db2.gz DNEMYIZAVJKSLA-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP CCCC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515295 476037278 /nfs/dbraw/zinc/03/72/78/476037278.db2.gz DNEMYIZAVJKSLA-QGZVFWFLSA-N 2 2 345.447 2.739 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042701 476057074 /nfs/dbraw/zinc/05/70/74/476057074.db2.gz LQJPTLHLOTYMTD-QWRGUYRKSA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042701 476057082 /nfs/dbraw/zinc/05/70/82/476057082.db2.gz LQJPTLHLOTYMTD-QWRGUYRKSA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042700 476057154 /nfs/dbraw/zinc/05/71/54/476057154.db2.gz LQJPTLHLOTYMTD-MNOVXSKESA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042700 476057160 /nfs/dbraw/zinc/05/71/60/476057160.db2.gz LQJPTLHLOTYMTD-MNOVXSKESA-N 2 2 329.347 2.755 20 5 EFBDLP Cc1ccc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH+]1 ZINC000353646083 476153623 /nfs/dbraw/zinc/15/36/23/476153623.db2.gz BSAFVMARJYASPQ-INIZCTEOSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1ccc(CCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH+]1 ZINC000353646083 476153626 /nfs/dbraw/zinc/15/36/26/476153626.db2.gz BSAFVMARJYASPQ-INIZCTEOSA-N 2 2 341.415 2.812 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066823 476578989 /nfs/dbraw/zinc/57/89/89/476578989.db2.gz PVAHRXKBRAIUJV-UKRRQHHQSA-N 2 2 341.415 2.677 20 5 EFBDLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361066823 476578991 /nfs/dbraw/zinc/57/89/91/476578991.db2.gz PVAHRXKBRAIUJV-UKRRQHHQSA-N 2 2 341.415 2.677 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422710815 476739675 /nfs/dbraw/zinc/73/96/75/476739675.db2.gz GDJALHZTVROAEM-GUYCJALGSA-N 2 2 329.400 2.652 20 5 EFBDLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947072 476895204 /nfs/dbraw/zinc/89/52/04/476895204.db2.gz KJJWGODSZODPPM-WCQYABFASA-N 2 2 332.429 2.948 20 5 EFBDLP CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000414948998 476897779 /nfs/dbraw/zinc/89/77/79/476897779.db2.gz ZGJAWGJZSIHBIQ-UHFFFAOYSA-N 2 2 332.429 2.950 20 5 EFBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375665307 476941904 /nfs/dbraw/zinc/94/19/04/476941904.db2.gz LRXKSLMAPLVKGH-UHFFFAOYSA-N 2 2 337.383 2.850 20 5 EFBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375665307 476941912 /nfs/dbraw/zinc/94/19/12/476941912.db2.gz LRXKSLMAPLVKGH-UHFFFAOYSA-N 2 2 337.383 2.850 20 5 EFBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423177517 476953873 /nfs/dbraw/zinc/95/38/73/476953873.db2.gz IZGPQWDVERWTCU-INIZCTEOSA-N 2 2 343.431 2.669 20 5 EFBDLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447545811 477009153 /nfs/dbraw/zinc/00/91/53/477009153.db2.gz YFGJSMKPHOOGOQ-OAGGEKHMSA-N 2 2 337.468 2.841 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000447544473 477009580 /nfs/dbraw/zinc/00/95/80/477009580.db2.gz VPCLBNFMLIRLSA-IKGGRYGDSA-N 2 2 349.479 2.985 20 5 EFBDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565133 477013532 /nfs/dbraw/zinc/01/35/32/477013532.db2.gz IXQRTDNKDBHGSL-JKSUJKDBSA-N 2 2 349.479 2.987 20 5 EFBDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565133 477013537 /nfs/dbraw/zinc/01/35/37/477013537.db2.gz IXQRTDNKDBHGSL-JKSUJKDBSA-N 2 2 349.479 2.987 20 5 EFBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514487 477056395 /nfs/dbraw/zinc/05/63/95/477056395.db2.gz DDBCEFXGOSMHMQ-CHWSQXEVSA-N 2 2 347.440 2.962 20 5 EFBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535577064 478216901 /nfs/dbraw/zinc/21/69/01/478216901.db2.gz ZPQMPOXYRLFRER-UHFFFAOYSA-N 2 2 342.399 2.945 20 5 EFBDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498789 478413426 /nfs/dbraw/zinc/41/34/26/478413426.db2.gz LIHNPIPELGLGGL-YOEHRIQHSA-N 2 2 333.432 2.807 20 5 EFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000581954099 478476693 /nfs/dbraw/zinc/47/66/93/478476693.db2.gz JNRHLSIOQGIREH-INIZCTEOSA-N 2 2 326.400 2.947 20 5 EFBDLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776244 478515286 /nfs/dbraw/zinc/51/52/86/478515286.db2.gz QGYHRHMHZKDBMP-OLZOCXBDSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776244 478515293 /nfs/dbraw/zinc/51/52/93/478515293.db2.gz QGYHRHMHZKDBMP-OLZOCXBDSA-N 2 2 331.338 2.862 20 5 EFBDLP C[NH2+]C1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000591445535 478555007 /nfs/dbraw/zinc/55/50/07/478555007.db2.gz VGCMQZTYTBGGEE-UHFFFAOYSA-N 2 2 327.388 2.548 20 5 EFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581114 478585037 /nfs/dbraw/zinc/58/50/37/478585037.db2.gz KUJPTDISYWEJKE-XQQFMLRXSA-N 2 2 327.425 2.755 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000595052271 478641595 /nfs/dbraw/zinc/64/15/95/478641595.db2.gz WMYGQPMSGNRGSK-LBPRGKRZSA-N 2 2 330.388 2.987 20 5 EFBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056856 478644028 /nfs/dbraw/zinc/64/40/28/478644028.db2.gz RTOFWJFIYGILJJ-DZGCQCFKSA-N 2 2 348.447 2.774 20 5 EFBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056856 478644033 /nfs/dbraw/zinc/64/40/33/478644033.db2.gz RTOFWJFIYGILJJ-DZGCQCFKSA-N 2 2 348.447 2.774 20 5 EFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595100807 478660641 /nfs/dbraw/zinc/66/06/41/478660641.db2.gz JAOFEKWVYUNTRG-XJKSGUPXSA-N 2 2 349.431 2.507 20 5 EFBDLP O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491862856 478712669 /nfs/dbraw/zinc/71/26/69/478712669.db2.gz XLTYLWBQMXYOFU-WAYWQWQTSA-N 2 2 335.323 2.827 20 5 EFBDLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505213 478826136 /nfs/dbraw/zinc/82/61/36/478826136.db2.gz QRUIUYZDLLWADI-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505213 478826141 /nfs/dbraw/zinc/82/61/41/478826141.db2.gz QRUIUYZDLLWADI-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505213 478826147 /nfs/dbraw/zinc/82/61/47/478826147.db2.gz QRUIUYZDLLWADI-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505213 478826150 /nfs/dbraw/zinc/82/61/50/478826150.db2.gz QRUIUYZDLLWADI-SFHVURJKSA-N 2 2 333.432 2.911 20 5 EFBDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596100950 479137596 /nfs/dbraw/zinc/13/75/96/479137596.db2.gz FCMMGHXCKHYSHT-UHFFFAOYSA-N 2 2 338.477 2.935 20 5 EFBDLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686035 479155087 /nfs/dbraw/zinc/15/50/87/479155087.db2.gz FUKRQBWTTSCMJF-AWEZNQCLSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686035 479155098 /nfs/dbraw/zinc/15/50/98/479155098.db2.gz FUKRQBWTTSCMJF-AWEZNQCLSA-N 2 2 346.431 2.530 20 5 EFBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988063 479189961 /nfs/dbraw/zinc/18/99/61/479189961.db2.gz XSVTXKYUSRHKFV-XHSDSOJGSA-N 2 2 335.452 2.739 20 5 EFBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988063 479189966 /nfs/dbraw/zinc/18/99/66/479189966.db2.gz XSVTXKYUSRHKFV-XHSDSOJGSA-N 2 2 335.452 2.739 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000618567938 479495937 /nfs/dbraw/zinc/49/59/37/479495937.db2.gz MJLDXJKWEWPWBE-DJIMGWMZSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000618567938 479495948 /nfs/dbraw/zinc/49/59/48/479495948.db2.gz MJLDXJKWEWPWBE-DJIMGWMZSA-N 2 2 347.463 2.882 20 5 EFBDLP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000589605897 479545199 /nfs/dbraw/zinc/54/51/99/479545199.db2.gz BGHFJAFPOFOCHQ-CQSZACIVSA-N 2 2 343.431 2.923 20 5 EFBDLP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000589605897 479545204 /nfs/dbraw/zinc/54/52/04/479545204.db2.gz BGHFJAFPOFOCHQ-CQSZACIVSA-N 2 2 343.431 2.923 20 5 EFBDLP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221148 533783744 /nfs/dbraw/zinc/78/37/44/533783744.db2.gz KDLXSONVPGEVEF-GFCCVEGCSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221148 533783755 /nfs/dbraw/zinc/78/37/55/533783755.db2.gz KDLXSONVPGEVEF-GFCCVEGCSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221148 533783761 /nfs/dbraw/zinc/78/37/61/533783761.db2.gz KDLXSONVPGEVEF-GFCCVEGCSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221148 533783764 /nfs/dbraw/zinc/78/37/64/533783764.db2.gz KDLXSONVPGEVEF-GFCCVEGCSA-N 2 2 325.384 2.516 20 5 EFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237774 533824424 /nfs/dbraw/zinc/82/44/24/533824424.db2.gz OMMJXWMDIGMASD-WFASDCNBSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237774 533824428 /nfs/dbraw/zinc/82/44/28/533824428.db2.gz OMMJXWMDIGMASD-WFASDCNBSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237774 533824434 /nfs/dbraw/zinc/82/44/34/533824434.db2.gz OMMJXWMDIGMASD-WFASDCNBSA-N 2 2 337.395 2.659 20 5 EFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237774 533824438 /nfs/dbraw/zinc/82/44/38/533824438.db2.gz OMMJXWMDIGMASD-WFASDCNBSA-N 2 2 337.395 2.659 20 5 EFBDLP CN(C)c1[nH+]cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000414359894 536161305 /nfs/dbraw/zinc/16/13/05/536161305.db2.gz PJVLRCQDZQWMFD-UHFFFAOYSA-N 2 2 331.420 2.507 20 5 EFBDLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874024 536944113 /nfs/dbraw/zinc/94/41/13/536944113.db2.gz AMFWNBHLNNSGHE-RTBURBONSA-N 2 2 341.411 2.839 20 5 EFBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000754250553 575410764 /nfs/dbraw/zinc/41/07/64/575410764.db2.gz JJFIGRAPDONKSU-SFHVURJKSA-N 2 2 338.367 2.604 20 5 EFBDLP Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000771187268 581185530 /nfs/dbraw/zinc/18/55/30/581185530.db2.gz DHHDKXFLZJCWRV-UHFFFAOYSA-N 2 2 346.475 2.898 20 5 EFBDLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557871 1250535399 /nfs/dbraw/zinc/53/53/99/1250535399.db2.gz ZOKHJZMOYWOPCL-INIZCTEOSA-N 2 2 332.448 2.638 20 5 EFBDLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557871 1250535406 /nfs/dbraw/zinc/53/54/06/1250535406.db2.gz ZOKHJZMOYWOPCL-INIZCTEOSA-N 2 2 332.448 2.638 20 5 EFBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000923421358 1261644862 /nfs/dbraw/zinc/64/48/62/1261644862.db2.gz NDRGTNBXERDYJI-NEPJUHHUSA-N 2 2 328.210 2.573 20 5 EFBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965524 1272559292 /nfs/dbraw/zinc/55/92/92/1272559292.db2.gz AJUWFPVCPJNZIQ-QAPCUYQASA-N 2 2 347.459 2.695 20 5 EFBDLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996048 1272573270 /nfs/dbraw/zinc/57/32/70/1272573270.db2.gz UMNAMUKKMZGKFK-SJLPKXTDSA-N 2 2 347.459 2.695 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318683 1279012025 /nfs/dbraw/zinc/01/20/25/1279012025.db2.gz ROHLUNVVSQDGLQ-CJNGLKHVSA-N 2 2 333.432 2.608 20 5 EFBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318683 1279012039 /nfs/dbraw/zinc/01/20/39/1279012039.db2.gz ROHLUNVVSQDGLQ-CJNGLKHVSA-N 2 2 333.432 2.608 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577481 1276230568 /nfs/dbraw/zinc/23/05/68/1276230568.db2.gz ONGBNKINZAYTTL-DAYGRLMNSA-N 2 2 345.443 2.770 20 5 EFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577481 1276230573 /nfs/dbraw/zinc/23/05/73/1276230573.db2.gz ONGBNKINZAYTTL-DAYGRLMNSA-N 2 2 345.443 2.770 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319653 1279012766 /nfs/dbraw/zinc/01/27/66/1279012766.db2.gz XXVBOSLASOVXSB-YOEHRIQHSA-N 2 2 347.459 2.998 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319653 1279012774 /nfs/dbraw/zinc/01/27/74/1279012774.db2.gz XXVBOSLASOVXSB-YOEHRIQHSA-N 2 2 347.459 2.998 20 5 EFBDLP COc1ccc(C[C@H](C)[NH2+]CCOc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC001170329252 1279020008 /nfs/dbraw/zinc/02/00/08/1279020008.db2.gz YJEMIZMNQHDQQF-ZDUSSCGKSA-N 2 2 331.372 2.598 20 5 EFBDLP Cc1ccc2[nH+]cc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000809736405 1282414707 /nfs/dbraw/zinc/41/47/07/1282414707.db2.gz STDNSNXLHWJPHO-UHFFFAOYSA-N 2 2 325.372 2.516 20 5 EFBDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558743 1287594949 /nfs/dbraw/zinc/59/49/49/1287594949.db2.gz MSVLQYAASJNLQH-GFCCVEGCSA-N 2 2 329.404 2.603 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1F ZINC001173179375 1286455421 /nfs/dbraw/zinc/45/54/21/1286455421.db2.gz PDBFNIUNFMXANU-STQMWFEESA-N 2 2 339.411 2.747 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000877621956 1291295416 /nfs/dbraw/zinc/29/54/16/1291295416.db2.gz YTHWYKRLODSYHP-KRWDZBQOSA-N 2 2 347.459 2.898 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000877621956 1291295420 /nfs/dbraw/zinc/29/54/20/1291295420.db2.gz YTHWYKRLODSYHP-KRWDZBQOSA-N 2 2 347.459 2.898 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000877621958 1291295470 /nfs/dbraw/zinc/29/54/70/1291295470.db2.gz YTHWYKRLODSYHP-QGZVFWFLSA-N 2 2 347.459 2.898 20 5 EFBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000877621958 1291295475 /nfs/dbraw/zinc/29/54/75/1291295475.db2.gz YTHWYKRLODSYHP-QGZVFWFLSA-N 2 2 347.459 2.898 20 5 EFBDLP O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000886178767 1294753321 /nfs/dbraw/zinc/75/33/21/1294753321.db2.gz FJXHUXULYXYBRO-UHFFFAOYSA-N 2 2 341.415 2.902 20 5 EFBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134569 1295287597 /nfs/dbraw/zinc/28/75/97/1295287597.db2.gz LXVAFRLUIKORSH-CYBMUJFWSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134569 1295287613 /nfs/dbraw/zinc/28/76/13/1295287613.db2.gz LXVAFRLUIKORSH-CYBMUJFWSA-N 2 2 330.363 2.840 20 5 EFBDLP C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121563839 1296627521 /nfs/dbraw/zinc/62/75/21/1296627521.db2.gz KUNHIMLGSAWDKI-GUYCJALGSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121563839 1296627529 /nfs/dbraw/zinc/62/75/29/1296627529.db2.gz KUNHIMLGSAWDKI-GUYCJALGSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121563687 1296628043 /nfs/dbraw/zinc/62/80/43/1296628043.db2.gz KUNHIMLGSAWDKI-DYVFJYSZSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121563687 1296628058 /nfs/dbraw/zinc/62/80/58/1296628058.db2.gz KUNHIMLGSAWDKI-DYVFJYSZSA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000246565340 1301689790 /nfs/dbraw/zinc/68/97/90/1301689790.db2.gz KUNHIMLGSAWDKI-CXAGYDPISA-N 2 2 340.387 2.682 20 5 EFBDLP C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000246565340 1301689794 /nfs/dbraw/zinc/68/97/94/1301689794.db2.gz KUNHIMLGSAWDKI-CXAGYDPISA-N 2 2 340.387 2.682 20 5 EFBDLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705521 1303759880 /nfs/dbraw/zinc/75/98/80/1303759880.db2.gz BKNQNVFFYVYURQ-KRWDZBQOSA-N 2 2 332.404 2.933 20 5 EFBDLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705521 1303759886 /nfs/dbraw/zinc/75/98/86/1303759886.db2.gz BKNQNVFFYVYURQ-KRWDZBQOSA-N 2 2 332.404 2.933 20 5 EFBDLP C[NH+](C)/C=C/c1cc(NCc2[nH+]cn3ccccc23)ncc1[N+](=O)[O-] ZINC001161685840 1311951491 /nfs/dbraw/zinc/95/14/91/1311951491.db2.gz OIDMUROHLMMDFU-SOFGYWHQSA-N 2 2 338.371 2.782 20 5 EFBDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344196 1312584346 /nfs/dbraw/zinc/58/43/46/1312584346.db2.gz NANPLOFYXONIOW-GJZGRUSLSA-N 2 2 335.452 2.597 20 5 EFBDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344196 1312584350 /nfs/dbraw/zinc/58/43/50/1312584350.db2.gz NANPLOFYXONIOW-GJZGRUSLSA-N 2 2 335.452 2.597 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)c1F ZINC001246107004 1314583596 /nfs/dbraw/zinc/58/35/96/1314583596.db2.gz RUTUIXPUVZDKPP-AVGNSLFASA-N 2 2 339.411 2.651 20 5 EFBDLP CC[N@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH+](C)CC1 ZINC001254479060 1315708000 /nfs/dbraw/zinc/70/80/00/1315708000.db2.gz QCKMMFXSGNDUBS-UHFFFAOYSA-N 2 2 346.475 2.980 20 5 EFBDLP CC[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH+](C)CC1 ZINC001254479060 1315708002 /nfs/dbraw/zinc/70/80/02/1315708002.db2.gz QCKMMFXSGNDUBS-UHFFFAOYSA-N 2 2 346.475 2.980 20 5 EFBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606317 1315730251 /nfs/dbraw/zinc/73/02/51/1315730251.db2.gz GJHMHVARPKWLHX-MSOLQXFVSA-N 2 2 339.395 2.919 20 5 EFBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606317 1315730254 /nfs/dbraw/zinc/73/02/54/1315730254.db2.gz GJHMHVARPKWLHX-MSOLQXFVSA-N 2 2 339.395 2.919 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637626 1316422338 /nfs/dbraw/zinc/42/23/38/1316422338.db2.gz AIDHOEWBSQCXMB-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637626 1316422340 /nfs/dbraw/zinc/42/23/40/1316422340.db2.gz AIDHOEWBSQCXMB-ZDUSSCGKSA-N 2 2 332.379 2.922 20 5 EFBDLP COc1c(O)ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001355264289 1334726879 /nfs/dbraw/zinc/72/68/79/1334726879.db2.gz IGGYTRNGOGTXAV-UHFFFAOYSA-N 2 2 339.436 2.908 20 5 EFBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568485 1335054825 /nfs/dbraw/zinc/05/48/25/1335054825.db2.gz DPTWWIWEDRTECQ-JKSUJKDBSA-N 2 2 332.404 2.529 20 5 EFBDLP CCCC[NH+]1CCC([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892687360 718688602 /nfs/dbraw/zinc/68/86/02/718688602.db2.gz LZWUUZBNPULECL-UHFFFAOYSA-N 2 2 337.420 2.663 20 5 EFBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C[NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414796341 244358895 /nfs/dbraw/zinc/35/88/95/244358895.db2.gz HOKWEYUNYFWDIY-OAHLLOKOSA-N 2 2 331.372 2.690 20 5 EFBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372763 248233267 /nfs/dbraw/zinc/23/32/67/248233267.db2.gz SKKOVKIOBRSZRQ-NEPJUHHUSA-N 2 2 332.429 2.887 20 5 EFBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372763 248233268 /nfs/dbraw/zinc/23/32/68/248233268.db2.gz SKKOVKIOBRSZRQ-NEPJUHHUSA-N 2 2 332.429 2.887 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000444664562 250324923 /nfs/dbraw/zinc/32/49/23/250324923.db2.gz RGBWOFQDZZJMII-LLVKDONJSA-N 2 2 326.360 2.574 20 5 EFBDLP O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000444664562 250324927 /nfs/dbraw/zinc/32/49/27/250324927.db2.gz RGBWOFQDZZJMII-LLVKDONJSA-N 2 2 326.360 2.574 20 5 EFBDLP O=[N+]([O-])c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(F)c1 ZINC000351549647 146143539 /nfs/dbraw/zinc/14/35/39/146143539.db2.gz CEZNQADCFNMMQR-UHFFFAOYSA-N 2 2 327.319 2.986 20 5 EFBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000374629579 151384531 /nfs/dbraw/zinc/38/45/31/151384531.db2.gz WKOVTWRVAIYFID-UHFFFAOYSA-N 2 2 337.383 2.850 20 5 EFBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000374629579 151384533 /nfs/dbraw/zinc/38/45/33/151384533.db2.gz WKOVTWRVAIYFID-UHFFFAOYSA-N 2 2 337.383 2.850 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000272407503 266255818 /nfs/dbraw/zinc/25/58/18/266255818.db2.gz ZYQDHJLFFWFHIN-HNNXBMFYSA-N 2 2 335.448 2.743 20 5 EFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000272407503 266255821 /nfs/dbraw/zinc/25/58/21/266255821.db2.gz ZYQDHJLFFWFHIN-HNNXBMFYSA-N 2 2 335.448 2.743 20 5 EFBDLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826519 267056358 /nfs/dbraw/zinc/05/63/58/267056358.db2.gz ALHIECDZXKPITE-HOTGVXAUSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826519 267056361 /nfs/dbraw/zinc/05/63/61/267056361.db2.gz ALHIECDZXKPITE-HOTGVXAUSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826519 267056363 /nfs/dbraw/zinc/05/63/63/267056363.db2.gz ALHIECDZXKPITE-HOTGVXAUSA-N 2 2 333.432 2.910 20 5 EFBDLP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826519 267056366 /nfs/dbraw/zinc/05/63/66/267056366.db2.gz ALHIECDZXKPITE-HOTGVXAUSA-N 2 2 333.432 2.910 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607964 267210821 /nfs/dbraw/zinc/21/08/21/267210821.db2.gz WGNPDQKXTGUAAB-CQSZACIVSA-N 2 2 337.420 2.528 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607964 267210823 /nfs/dbraw/zinc/21/08/23/267210823.db2.gz WGNPDQKXTGUAAB-CQSZACIVSA-N 2 2 337.420 2.528 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131908287 293212891 /nfs/dbraw/zinc/21/28/91/293212891.db2.gz SUMMHWPEEDRHPM-INIZCTEOSA-N 2 2 329.356 2.652 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131908287 293212892 /nfs/dbraw/zinc/21/28/92/293212892.db2.gz SUMMHWPEEDRHPM-INIZCTEOSA-N 2 2 329.356 2.652 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000447544474 298791534 /nfs/dbraw/zinc/79/15/34/298791534.db2.gz VPCLBNFMLIRLSA-IXDOHACOSA-N 2 2 349.479 2.985 20 5 EFBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623106 311398166 /nfs/dbraw/zinc/39/81/66/311398166.db2.gz RGNITBLBIKYKJQ-PKOBYXMFSA-N 2 2 347.459 2.655 20 5 EFBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414896924 312059116 /nfs/dbraw/zinc/05/91/16/312059116.db2.gz PZMPOOYTOOECAX-QZTJIDSGSA-N 2 2 329.375 2.969 20 5 EFBDLP C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414906458 312061037 /nfs/dbraw/zinc/06/10/37/312061037.db2.gz PSSITVONJSSUQY-HNNXBMFYSA-N 2 2 329.347 2.676 20 5 EFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c(Cl)c1 ZINC000415041235 312082239 /nfs/dbraw/zinc/08/22/39/312082239.db2.gz QZZNTPIBUMNTPU-VIKVFOODSA-N 2 2 333.775 2.816 20 5 EFBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415047986 312083385 /nfs/dbraw/zinc/08/33/85/312083385.db2.gz ZGQHQKMCKHPNBA-MNZLEMJZSA-N 2 2 338.411 2.670 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000417313102 312207791 /nfs/dbraw/zinc/20/77/91/312207791.db2.gz OSKMBHGFSOPEAY-BEFAXECRSA-N 2 2 347.459 2.920 20 5 EFBDLP C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000417313104 312207848 /nfs/dbraw/zinc/20/78/48/312207848.db2.gz OSKMBHGFSOPEAY-HNAYVOBHSA-N 2 2 347.459 2.920 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000417327018 312209405 /nfs/dbraw/zinc/20/94/05/312209405.db2.gz DLEXYLNHLSGFAX-HKUYNNGSSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCCC2 ZINC000417327018 312209408 /nfs/dbraw/zinc/20/94/08/312209408.db2.gz DLEXYLNHLSGFAX-HKUYNNGSSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000417327022 312209467 /nfs/dbraw/zinc/20/94/67/312209467.db2.gz DLEXYLNHLSGFAX-MJGOQNOKSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCCC2 ZINC000417327022 312209469 /nfs/dbraw/zinc/20/94/69/312209469.db2.gz DLEXYLNHLSGFAX-MJGOQNOKSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000417327023 312209617 /nfs/dbraw/zinc/20/96/17/312209617.db2.gz DLEXYLNHLSGFAX-PKOBYXMFSA-N 2 2 347.459 2.799 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCCC2 ZINC000417327023 312209619 /nfs/dbraw/zinc/20/96/19/312209619.db2.gz DLEXYLNHLSGFAX-PKOBYXMFSA-N 2 2 347.459 2.799 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470169855 313129027 /nfs/dbraw/zinc/12/90/27/313129027.db2.gz LAMXVWRFJAZKDO-FYXHJSOBSA-N 2 2 345.443 2.652 20 5 EFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470169855 313129029 /nfs/dbraw/zinc/12/90/29/313129029.db2.gz LAMXVWRFJAZKDO-FYXHJSOBSA-N 2 2 345.443 2.652 20 5 EFBDLP Cc1cc(N2CCC(CC[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566315165 319061656 /nfs/dbraw/zinc/06/16/56/319061656.db2.gz LGCXSPJGHIMLBD-UHFFFAOYSA-N 2 2 341.415 2.925 20 5 EFBDLP CC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000569072529 319344570 /nfs/dbraw/zinc/34/45/70/319344570.db2.gz BERNVZLFRLCVIW-OWCLPIDISA-N 2 2 335.452 2.739 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000177067021 473298186 /nfs/dbraw/zinc/29/81/86/473298186.db2.gz GPIMYBKZFKEZFY-UHFFFAOYSA-N 2 2 327.344 2.770 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835836 472203496 /nfs/dbraw/zinc/20/34/96/472203496.db2.gz XAAWECVKULJYJI-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835836 472203501 /nfs/dbraw/zinc/20/35/01/472203501.db2.gz XAAWECVKULJYJI-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP CC(C)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155510507 472559636 /nfs/dbraw/zinc/55/96/36/472559636.db2.gz HABYJPVNHCISIA-UHFFFAOYSA-N 2 2 335.448 2.607 20 5 EFBDLP CC(C)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155510507 472559644 /nfs/dbraw/zinc/55/96/44/472559644.db2.gz HABYJPVNHCISIA-UHFFFAOYSA-N 2 2 335.448 2.607 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000131725817 472688882 /nfs/dbraw/zinc/68/88/82/472688882.db2.gz ZWRDOMWMEWTKSE-CQSZACIVSA-N 2 2 340.339 2.784 20 5 EFBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000131725817 472688890 /nfs/dbraw/zinc/68/88/90/472688890.db2.gz ZWRDOMWMEWTKSE-CQSZACIVSA-N 2 2 340.339 2.784 20 5 EFBDLP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156506658 472716002 /nfs/dbraw/zinc/71/60/02/472716002.db2.gz VFXVHHKCGPYSEX-HOCLYGCPSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156506658 472716008 /nfs/dbraw/zinc/71/60/08/472716008.db2.gz VFXVHHKCGPYSEX-HOCLYGCPSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156530319 472719742 /nfs/dbraw/zinc/71/97/42/472719742.db2.gz MNUJDIUFHUCQNK-YOEHRIQHSA-N 2 2 330.388 2.753 20 5 EFBDLP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156530319 472719748 /nfs/dbraw/zinc/71/97/48/472719748.db2.gz MNUJDIUFHUCQNK-YOEHRIQHSA-N 2 2 330.388 2.753 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072486 472852867 /nfs/dbraw/zinc/85/28/67/472852867.db2.gz UBFAURHILLSUKD-GFCCVEGCSA-N 2 2 346.387 2.715 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072486 472852872 /nfs/dbraw/zinc/85/28/72/472852872.db2.gz UBFAURHILLSUKD-GFCCVEGCSA-N 2 2 346.387 2.715 20 5 EFBDLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961631 473113418 /nfs/dbraw/zinc/11/34/18/473113418.db2.gz YZKRVBPTMXEGNJ-CYBMUJFWSA-N 2 2 343.387 2.526 20 5 EFBDLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961631 473113424 /nfs/dbraw/zinc/11/34/24/473113424.db2.gz YZKRVBPTMXEGNJ-CYBMUJFWSA-N 2 2 343.387 2.526 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838266 473192054 /nfs/dbraw/zinc/19/20/54/473192054.db2.gz XQAMOWRTLQBLJS-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838266 473192060 /nfs/dbraw/zinc/19/20/60/473192060.db2.gz XQAMOWRTLQBLJS-OAHLLOKOSA-N 2 2 344.415 2.662 20 5 EFBDLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000163634755 473460363 /nfs/dbraw/zinc/46/03/63/473460363.db2.gz YRJPYLWGKXJZTE-SFHVURJKSA-N 2 2 347.459 2.616 20 5 EFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610938 473696453 /nfs/dbraw/zinc/69/64/53/473696453.db2.gz PKWKVCIVIAJYOG-PKOBYXMFSA-N 2 2 347.459 2.919 20 5 EFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610938 473696456 /nfs/dbraw/zinc/69/64/56/473696456.db2.gz PKWKVCIVIAJYOG-PKOBYXMFSA-N 2 2 347.459 2.919 20 5 EFBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308221 473823357 /nfs/dbraw/zinc/82/33/57/473823357.db2.gz DOKXDFLCLHNTBS-RDJZCZTQSA-N 2 2 335.448 2.821 20 5 EFBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308221 473823364 /nfs/dbraw/zinc/82/33/64/473823364.db2.gz DOKXDFLCLHNTBS-RDJZCZTQSA-N 2 2 335.448 2.821 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000246880945 473989860 /nfs/dbraw/zinc/98/98/60/473989860.db2.gz LJUMBNFPAVPCQL-GJZGRUSLSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000246880945 473989869 /nfs/dbraw/zinc/98/98/69/473989869.db2.gz LJUMBNFPAVPCQL-GJZGRUSLSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880945 473989875 /nfs/dbraw/zinc/98/98/75/473989875.db2.gz LJUMBNFPAVPCQL-GJZGRUSLSA-N 2 2 348.447 2.504 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880945 473989877 /nfs/dbraw/zinc/98/98/77/473989877.db2.gz LJUMBNFPAVPCQL-GJZGRUSLSA-N 2 2 348.447 2.504 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175256021 474172379 /nfs/dbraw/zinc/17/23/79/474172379.db2.gz QNYWUHMPLOMNCA-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175256021 474172387 /nfs/dbraw/zinc/17/23/87/474172387.db2.gz QNYWUHMPLOMNCA-OAHLLOKOSA-N 2 2 333.432 2.911 20 5 EFBDLP C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000237535240 474424772 /nfs/dbraw/zinc/42/47/72/474424772.db2.gz OZGMDJYKBMXCPO-LLVKDONJSA-N 2 2 340.330 2.819 20 5 EFBDLP C[NH+](C)C1CC[NH+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000176815979 474535598 /nfs/dbraw/zinc/53/55/98/474535598.db2.gz PJBGIXOVFAPCHF-UHFFFAOYSA-N 2 2 343.431 2.581 20 5 EFBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267477628 474671521 /nfs/dbraw/zinc/67/15/21/474671521.db2.gz ZTIAXMWVZPMVHQ-AWEZNQCLSA-N 2 2 330.388 2.966 20 5 EFBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267477628 474671528 /nfs/dbraw/zinc/67/15/28/474671528.db2.gz ZTIAXMWVZPMVHQ-AWEZNQCLSA-N 2 2 330.388 2.966 20 5 EFBDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084818 474886860 /nfs/dbraw/zinc/88/68/60/474886860.db2.gz PWEXSVOBJFVDGO-QGZVFWFLSA-N 2 2 345.447 2.538 20 5 EFBDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084818 474886869 /nfs/dbraw/zinc/88/68/69/474886869.db2.gz PWEXSVOBJFVDGO-QGZVFWFLSA-N 2 2 345.447 2.538 20 5 EFBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339125066 474952509 /nfs/dbraw/zinc/95/25/09/474952509.db2.gz MSWUPUFFGDVXTA-UHFFFAOYSA-N 2 2 332.404 2.972 20 5 EFBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339125066 474952517 /nfs/dbraw/zinc/95/25/17/474952517.db2.gz MSWUPUFFGDVXTA-UHFFFAOYSA-N 2 2 332.404 2.972 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810943 474995960 /nfs/dbraw/zinc/99/59/60/474995960.db2.gz KDIYOUJVTFONGM-KSZLIROESA-N 2 2 333.432 2.889 20 5 EFBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810943 474995968 /nfs/dbraw/zinc/99/59/68/474995968.db2.gz KDIYOUJVTFONGM-KSZLIROESA-N 2 2 333.432 2.889 20 5 EFBDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315105 475584924 /nfs/dbraw/zinc/58/49/24/475584924.db2.gz CXGRVAJVBRQFJR-GOSISDBHSA-N 2 2 345.447 2.538 20 5 EFBDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315105 475584931 /nfs/dbraw/zinc/58/49/31/475584931.db2.gz CXGRVAJVBRQFJR-GOSISDBHSA-N 2 2 345.447 2.538 20 5 EFBDLP Cc1nc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000332400734 475627380 /nfs/dbraw/zinc/62/73/80/475627380.db2.gz SKLVYUNAUBPWID-CYBMUJFWSA-N 2 2 327.388 2.576 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348540477 475740843 /nfs/dbraw/zinc/74/08/43/475740843.db2.gz HMNHUAMRMNQKPR-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348540477 475740850 /nfs/dbraw/zinc/74/08/50/475740850.db2.gz HMNHUAMRMNQKPR-CHWSQXEVSA-N 2 2 343.387 2.525 20 5 EFBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830013 475893418 /nfs/dbraw/zinc/89/34/18/475893418.db2.gz PCKDITRQJBWYCS-DDTOSNHZSA-N 2 2 341.358 2.755 20 5 EFBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830013 475893428 /nfs/dbraw/zinc/89/34/28/475893428.db2.gz PCKDITRQJBWYCS-DDTOSNHZSA-N 2 2 341.358 2.755 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620639 476650462 /nfs/dbraw/zinc/65/04/62/476650462.db2.gz CULPFLBTAXELHS-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620639 476650469 /nfs/dbraw/zinc/65/04/69/476650469.db2.gz CULPFLBTAXELHS-AWEZNQCLSA-N 2 2 330.388 2.587 20 5 EFBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000365622401 476651451 /nfs/dbraw/zinc/65/14/51/476651451.db2.gz FNMBNESXQOSTGP-GFCCVEGCSA-N 2 2 348.378 2.856 20 5 EFBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000365622401 476651455 /nfs/dbraw/zinc/65/14/55/476651455.db2.gz FNMBNESXQOSTGP-GFCCVEGCSA-N 2 2 348.378 2.856 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578744 476866336 /nfs/dbraw/zinc/86/63/36/476866336.db2.gz BHYVNLMYTUMCJV-KBPBESRZSA-N 2 2 336.436 2.535 20 5 EFBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578744 476866345 /nfs/dbraw/zinc/86/63/45/476866345.db2.gz BHYVNLMYTUMCJV-KBPBESRZSA-N 2 2 336.436 2.535 20 5 EFBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947074 476895916 /nfs/dbraw/zinc/89/59/16/476895916.db2.gz KJJWGODSZODPPM-YPMHNXCESA-N 2 2 332.429 2.948 20 5 EFBDLP CCC([NH3+])(CC)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423290641 476983746 /nfs/dbraw/zinc/98/37/46/476983746.db2.gz DWFNIPVRXADDPD-HNNXBMFYSA-N 2 2 331.420 2.525 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000447537910 477007765 /nfs/dbraw/zinc/00/77/65/477007765.db2.gz ZJUHQFWEIROTJK-NCOADZHNSA-N 2 2 349.479 2.985 20 5 EFBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000447537910 477007770 /nfs/dbraw/zinc/00/77/70/477007770.db2.gz ZJUHQFWEIROTJK-NCOADZHNSA-N 2 2 349.479 2.985 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000447591438 477019983 /nfs/dbraw/zinc/01/99/83/477019983.db2.gz ICXRBCWQABBTNP-GVDBMIGSSA-N 2 2 347.463 2.882 20 5 EFBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000447591438 477019986 /nfs/dbraw/zinc/01/99/86/477019986.db2.gz ICXRBCWQABBTNP-GVDBMIGSSA-N 2 2 347.463 2.882 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449073591 477422033 /nfs/dbraw/zinc/42/20/33/477422033.db2.gz SGUCXVLUDYKHCH-HRCADAONSA-N 2 2 335.448 2.615 20 5 EFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449073591 477422039 /nfs/dbraw/zinc/42/20/39/477422039.db2.gz SGUCXVLUDYKHCH-HRCADAONSA-N 2 2 335.448 2.615 20 5 EFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000449073593 477422383 /nfs/dbraw/zinc/42/23/83/477422383.db2.gz SGUCXVLUDYKHCH-PMPSAXMXSA-N 2 2 335.448 2.615 20 5 EFBDLP Cc1cc(NCC[C@H]2CCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420213554 477638908 /nfs/dbraw/zinc/63/89/08/477638908.db2.gz UTADGPDOYUYOIV-CQSZACIVSA-N 2 2 341.415 2.584 20 5 EFBDLP CCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420239536 477646123 /nfs/dbraw/zinc/64/61/23/477646123.db2.gz PKWWBPBPXRQYNL-UKRRQHHQSA-N 2 2 341.415 2.718 20 5 EFBDLP [NH3+][C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420391714 477741989 /nfs/dbraw/zinc/74/19/89/477741989.db2.gz UBUQXHDXOHXJFA-FUHWJXTLSA-N 2 2 329.375 2.703 20 5 EFBDLP [NH3+][C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420391714 477741992 /nfs/dbraw/zinc/74/19/92/477741992.db2.gz UBUQXHDXOHXJFA-FUHWJXTLSA-N 2 2 329.375 2.703 20 5 EFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427881902 477783731 /nfs/dbraw/zinc/78/37/31/477783731.db2.gz KJAIQKKBFHBWRZ-OCCSQVGLSA-N 2 2 330.388 2.856 20 5 EFBDLP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230661 478203209 /nfs/dbraw/zinc/20/32/09/478203209.db2.gz UFGJHMHXRXNQEP-CQSZACIVSA-N 2 2 343.431 2.924 20 5 EFBDLP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230661 478203216 /nfs/dbraw/zinc/20/32/16/478203216.db2.gz UFGJHMHXRXNQEP-CQSZACIVSA-N 2 2 343.431 2.924 20 5 EFBDLP Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723823 478487676 /nfs/dbraw/zinc/48/76/76/478487676.db2.gz FMCKKTMGOMIXNN-CHWSQXEVSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723823 478487685 /nfs/dbraw/zinc/48/76/85/478487685.db2.gz FMCKKTMGOMIXNN-CHWSQXEVSA-N 2 2 331.338 2.862 20 5 EFBDLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105218 478662698 /nfs/dbraw/zinc/66/26/98/478662698.db2.gz RGZIWOOHOXSFGL-ZBFHGGJFSA-N 2 2 333.432 2.807 20 5 EFBDLP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601124224 478671621 /nfs/dbraw/zinc/67/16/21/478671621.db2.gz PFNWXXWMKDWSGU-UHFFFAOYSA-N 2 2 344.415 2.690 20 5 EFBDLP O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491896367 478728126 /nfs/dbraw/zinc/72/81/26/478728126.db2.gz ZUXVIKXGQHEULD-PLNGDYQASA-N 2 2 335.323 2.827 20 5 EFBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427673 478891906 /nfs/dbraw/zinc/89/19/06/478891906.db2.gz PBRWELSRJLWLIC-MFKMUULPSA-N 2 2 329.347 2.755 20 5 EFBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427673 478891912 /nfs/dbraw/zinc/89/19/12/478891912.db2.gz PBRWELSRJLWLIC-MFKMUULPSA-N 2 2 329.347 2.755 20 5 EFBDLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428808 478891997 /nfs/dbraw/zinc/89/19/97/478891997.db2.gz VOUZLIILTHAXHK-BLLLJJGKSA-N 2 2 347.440 2.871 20 5 EFBDLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428808 478892003 /nfs/dbraw/zinc/89/20/03/478892003.db2.gz VOUZLIILTHAXHK-BLLLJJGKSA-N 2 2 347.440 2.871 20 5 EFBDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610799008 479191975 /nfs/dbraw/zinc/19/19/75/479191975.db2.gz KKBBYZHAKXJNSH-LSDHHAIUSA-N 2 2 348.447 2.776 20 5 EFBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000610799006 479192662 /nfs/dbraw/zinc/19/26/62/479192662.db2.gz KKBBYZHAKXJNSH-GJZGRUSLSA-N 2 2 348.447 2.776 20 5 EFBDLP CCOc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297356 479341356 /nfs/dbraw/zinc/34/13/56/479341356.db2.gz VCIPMAZHHPPLKM-OAHLLOKOSA-N 2 2 348.447 2.574 20 5 EFBDLP CCOc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297356 479341362 /nfs/dbraw/zinc/34/13/62/479341362.db2.gz VCIPMAZHHPPLKM-OAHLLOKOSA-N 2 2 348.447 2.574 20 5 EFBDLP C[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602504080 479372143 /nfs/dbraw/zinc/37/21/43/479372143.db2.gz RSBSAWJCSARYFY-UHFFFAOYSA-N 2 2 334.239 2.603 20 5 EFBDLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733941 479438195 /nfs/dbraw/zinc/43/81/95/479438195.db2.gz OOXVVXVBAYXOSJ-WFASDCNBSA-N 2 2 345.403 2.594 20 5 EFBDLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733941 479438203 /nfs/dbraw/zinc/43/82/03/479438203.db2.gz OOXVVXVBAYXOSJ-WFASDCNBSA-N 2 2 345.403 2.594 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602789364 479553577 /nfs/dbraw/zinc/55/35/77/479553577.db2.gz ZMDJRUOONUCENK-WBVHZDCISA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602789364 479553582 /nfs/dbraw/zinc/55/35/82/479553582.db2.gz ZMDJRUOONUCENK-WBVHZDCISA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602789364 479553589 /nfs/dbraw/zinc/55/35/89/479553589.db2.gz ZMDJRUOONUCENK-WBVHZDCISA-N 2 2 349.479 2.686 20 5 EFBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602789364 479553596 /nfs/dbraw/zinc/55/35/96/479553596.db2.gz ZMDJRUOONUCENK-WBVHZDCISA-N 2 2 349.479 2.686 20 5 EFBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987264 524400163 /nfs/dbraw/zinc/40/01/63/524400163.db2.gz LVKINALBSVWZPQ-IRXDYDNUSA-N 2 2 346.475 2.585 20 5 EFBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987327 524578328 /nfs/dbraw/zinc/57/83/28/524578328.db2.gz LVKINALBSVWZPQ-IAGOWNOFSA-N 2 2 346.475 2.585 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003485 527442886 /nfs/dbraw/zinc/44/28/86/527442886.db2.gz JZOQZIIONZNGTJ-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003485 527442892 /nfs/dbraw/zinc/44/28/92/527442892.db2.gz JZOQZIIONZNGTJ-HNNXBMFYSA-N 2 2 344.415 2.662 20 5 EFBDLP Cc1nn(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026100 576538082 /nfs/dbraw/zinc/53/80/82/576538082.db2.gz QYXSNLLWIFKQBF-HNNXBMFYSA-N 2 2 343.431 2.628 20 5 EFBDLP Cc1nn(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026100 576538087 /nfs/dbraw/zinc/53/80/87/576538087.db2.gz QYXSNLLWIFKQBF-HNNXBMFYSA-N 2 2 343.431 2.628 20 5 EFBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001168983355 1272552775 /nfs/dbraw/zinc/55/27/75/1272552775.db2.gz JQVIDOKFPVUPCT-FHWLQOOXSA-N 2 2 331.460 2.729 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC001173179200 1286453497 /nfs/dbraw/zinc/45/34/97/1286453497.db2.gz NYKLSXBAEOXAMK-OLZOCXBDSA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)c1F ZINC001173179200 1286453503 /nfs/dbraw/zinc/45/35/03/1286453503.db2.gz NYKLSXBAEOXAMK-OLZOCXBDSA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC001173179203 1286453857 /nfs/dbraw/zinc/45/38/57/1286453857.db2.gz NYKLSXBAEOXAMK-QWHCGFSZSA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)c1F ZINC001173179203 1286453860 /nfs/dbraw/zinc/45/38/60/1286453860.db2.gz NYKLSXBAEOXAMK-QWHCGFSZSA-N 2 2 339.411 2.746 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c[nH+]c(C)c2CC[NH3+])c1F ZINC001173180089 1286454932 /nfs/dbraw/zinc/45/49/32/1286454932.db2.gz TUJIVYYLMOHZMW-SNVBAGLBSA-N 2 2 336.367 2.552 20 5 EFBDLP COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001236350325 1313472935 /nfs/dbraw/zinc/47/29/35/1313472935.db2.gz RSLZUCBAKRMVNU-UXHICEINSA-N 2 2 334.419 2.925 20 5 EFBDLP COC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001236350325 1313472937 /nfs/dbraw/zinc/47/29/37/1313472937.db2.gz RSLZUCBAKRMVNU-UXHICEINSA-N 2 2 334.419 2.925 20 5 EFBDLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000090003449 1314032412 /nfs/dbraw/zinc/03/24/12/1314032412.db2.gz GREHWHAFRPZNQF-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000090003449 1314032413 /nfs/dbraw/zinc/03/24/13/1314032413.db2.gz GREHWHAFRPZNQF-AWEZNQCLSA-N 2 2 344.415 2.792 20 5 EFBDLP Cc1[nH+]c2c(n1-c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC[NH2+]CC2 ZINC001165356019 1312615575 /nfs/dbraw/zinc/61/55/75/1312615575.db2.gz MDXGZCMXNDNHGB-UHFFFAOYSA-N 2 2 349.394 2.839 20 5 EFBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331323 1314611723 /nfs/dbraw/zinc/61/17/23/1314611723.db2.gz OJOZYAJJCWULPL-NHYWBVRUSA-N 2 2 339.411 2.651 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001254580023 1315726959 /nfs/dbraw/zinc/72/69/59/1315726959.db2.gz YUNPXKAZGYICTC-QGZVFWFLSA-N 2 2 338.411 2.716 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001254583721 1315727321 /nfs/dbraw/zinc/72/73/21/1315727321.db2.gz CWGGGKVSOMIAOY-ZWKOTPCHSA-N 2 2 329.444 2.916 20 5 EFBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001254583721 1315727324 /nfs/dbraw/zinc/72/73/24/1315727324.db2.gz CWGGGKVSOMIAOY-ZWKOTPCHSA-N 2 2 329.444 2.916 20 5 EFBDLP O=C(CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397536 1331342645 /nfs/dbraw/zinc/34/26/45/1331342645.db2.gz OXZNFZABXFARJS-HOCLYGCPSA-N 2 2 346.431 2.530 20 5 EFBDLP O=C(CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397536 1331342651 /nfs/dbraw/zinc/34/26/51/1331342651.db2.gz OXZNFZABXFARJS-HOCLYGCPSA-N 2 2 346.431 2.530 20 5 EFBDLP COc1c(O)ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892633773 718359784 /nfs/dbraw/zinc/35/97/84/718359784.db2.gz YGTOXJIDQFSKPJ-ZDUSSCGKSA-N 2 2 337.420 2.521 20 5 EFBDLP