smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000872032838 731722583 /nfs/dbraw/zinc/72/25/83/731722583.db2.gz AZDLHWOFQCPHBF-HNNXBMFYSA-N 2 1 366.531 2.995 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942893 960542830 /nfs/dbraw/zinc/54/28/30/960542830.db2.gz GEZRZMHTPNXOPD-CRAIPNDOSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942893 960542843 /nfs/dbraw/zinc/54/28/43/960542843.db2.gz GEZRZMHTPNXOPD-CRAIPNDOSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942893 960542857 /nfs/dbraw/zinc/54/28/57/960542857.db2.gz GEZRZMHTPNXOPD-CRAIPNDOSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942893 960542871 /nfs/dbraw/zinc/54/28/71/960542871.db2.gz GEZRZMHTPNXOPD-CRAIPNDOSA-N 2 1 372.469 2.872 20 5 FFBDMP C[C@@]([NH3+])(C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877301648 1014541920 /nfs/dbraw/zinc/54/19/20/1014541920.db2.gz YREVVQCNIXHNCG-FQEVSTJZSA-N 2 1 374.485 2.636 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000922390383 988546160 /nfs/dbraw/zinc/54/61/60/988546160.db2.gz ZDTFRCAAAHSGFQ-FDVPUPKSSA-N 2 1 359.470 2.677 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980415 1016354993 /nfs/dbraw/zinc/35/49/93/1016354993.db2.gz RGGZSHXWKRKERC-DKUZWENOSA-N 2 1 356.470 2.509 20 5 FFBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509801 1005819626 /nfs/dbraw/zinc/81/96/26/1005819626.db2.gz STVYZGDXGSDOKZ-RDTXWAMCSA-N 2 1 370.453 2.594 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000819015668 1008023882 /nfs/dbraw/zinc/02/38/82/1008023882.db2.gz MZCXRZIISUKCMA-WIYYLYMNSA-N 2 1 369.465 2.782 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001173191018 1012331418 /nfs/dbraw/zinc/33/14/18/1012331418.db2.gz ZNNGHEUQVGLGSF-ZDUSSCGKSA-N 2 1 353.438 2.947 20 5 FFBDMP [NH3+]C[C@]1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160512717 1027730724 /nfs/dbraw/zinc/73/07/24/1027730724.db2.gz DWUNMQFPDUSRDX-KRWDZBQOSA-N 2 1 361.833 2.631 20 5 FFBDMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001155382362 1028709809 /nfs/dbraw/zinc/70/98/09/1028709809.db2.gz LZBNQOQFVCBQSF-KRWDZBQOSA-N 2 1 367.453 2.516 20 5 FFBDMP COc1cc(N2CCC([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001246935649 1039538128 /nfs/dbraw/zinc/53/81/28/1039538128.db2.gz VZTKDONHMJBESM-IYBDPMFKSA-N 2 1 374.485 2.504 20 5 FFBDMP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560275 1040796896 /nfs/dbraw/zinc/79/68/96/1040796896.db2.gz REZRVAGGUORMLE-SFHVURJKSA-N 2 1 362.518 2.875 20 5 FFBDMP CC1(C)C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001461977098 1061467020 /nfs/dbraw/zinc/46/70/20/1061467020.db2.gz NZHIUAGLHVTJIL-UHFFFAOYSA-N 2 1 361.486 2.960 20 5 FFBDMP CC[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001474356276 1065501323 /nfs/dbraw/zinc/50/13/23/1065501323.db2.gz YQBUIRHTAVYKPZ-AZUAARDMSA-N 2 1 361.486 2.552 20 5 FFBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289388348 257277940 /nfs/dbraw/zinc/27/79/40/257277940.db2.gz DLGWVMSFEKFCPY-UHFFFAOYSA-N 2 1 372.469 2.924 20 5 FFBDMP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000123511248 508698074 /nfs/dbraw/zinc/69/80/74/508698074.db2.gz QECTWLDZNGSBNB-UHFFFAOYSA-N 2 1 374.485 2.538 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150804701 508896740 /nfs/dbraw/zinc/89/67/40/508896740.db2.gz VNAWACPNCUUOTC-INIZCTEOSA-N 2 1 360.458 2.650 20 5 FFBDMP O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242963 /nfs/dbraw/zinc/24/29/63/509242963.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242969 /nfs/dbraw/zinc/24/29/69/509242969.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242974 /nfs/dbraw/zinc/24/29/74/509242974.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242980 /nfs/dbraw/zinc/24/29/80/509242980.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242987 /nfs/dbraw/zinc/24/29/87/509242987.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259655 /nfs/dbraw/zinc/25/96/55/509259655.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259656 /nfs/dbraw/zinc/25/96/56/509259656.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259661 /nfs/dbraw/zinc/25/96/61/509259661.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259665 /nfs/dbraw/zinc/25/96/65/509259665.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259669 /nfs/dbraw/zinc/25/96/69/509259669.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 1 369.469 2.778 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478879 510993277 /nfs/dbraw/zinc/99/32/77/510993277.db2.gz LMFNXSRCCSLQGD-YOEHRIQHSA-N 2 1 353.438 2.961 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478879 510993280 /nfs/dbraw/zinc/99/32/80/510993280.db2.gz LMFNXSRCCSLQGD-YOEHRIQHSA-N 2 1 353.438 2.961 20 5 FFBDMP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000368543601 512994110 /nfs/dbraw/zinc/99/41/10/512994110.db2.gz ODIRWYMRQFHFJS-UHFFFAOYSA-N 2 1 374.441 2.670 20 5 FFBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110043 514446488 /nfs/dbraw/zinc/44/64/88/514446488.db2.gz OSTYUHPAVWCGAV-IRXDYDNUSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119912 514451295 /nfs/dbraw/zinc/45/12/95/514451295.db2.gz FUJZHZVBNZPSIS-YOEHRIQHSA-N 2 1 353.850 2.967 20 5 FFBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132313 514459275 /nfs/dbraw/zinc/45/92/75/514459275.db2.gz TYXAOZQBZQNQDA-MRXNPFEDSA-N 2 1 358.446 2.606 20 5 FFBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132313 514459277 /nfs/dbraw/zinc/45/92/77/514459277.db2.gz TYXAOZQBZQNQDA-MRXNPFEDSA-N 2 1 358.446 2.606 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387063 514618304 /nfs/dbraw/zinc/61/83/04/514618304.db2.gz ATUDIZWPNXCLGL-GOSISDBHSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387063 514618310 /nfs/dbraw/zinc/61/83/10/514618310.db2.gz ATUDIZWPNXCLGL-GOSISDBHSA-N 2 1 357.458 2.882 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000491207582 515397784 /nfs/dbraw/zinc/39/77/84/515397784.db2.gz YTXJAROTIGQDHH-HNNXBMFYSA-N 2 1 372.494 2.803 20 5 FFBDMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482874600 515831904 /nfs/dbraw/zinc/83/19/04/515831904.db2.gz ORSFXRXNEOEISX-SFHVURJKSA-N 2 1 362.474 2.578 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414956 517610441 /nfs/dbraw/zinc/61/04/41/517610441.db2.gz SSXMFQFWWQCDGO-ISPXXFMDSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000538414956 517610449 /nfs/dbraw/zinc/61/04/49/517610449.db2.gz SSXMFQFWWQCDGO-ISPXXFMDSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414956 517610456 /nfs/dbraw/zinc/61/04/56/517610456.db2.gz SSXMFQFWWQCDGO-ISPXXFMDSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414956 517610465 /nfs/dbraw/zinc/61/04/65/517610465.db2.gz SSXMFQFWWQCDGO-ISPXXFMDSA-N 2 1 367.449 2.835 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594973615 520236335 /nfs/dbraw/zinc/23/63/35/520236335.db2.gz GVZNTPPFNSCTNL-FQEVSTJZSA-N 2 1 355.438 2.760 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494013 520415924 /nfs/dbraw/zinc/41/59/24/520415924.db2.gz ZHJZLYUSVJSRHO-CVEARBPZSA-N 2 1 360.458 2.635 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493963 520416633 /nfs/dbraw/zinc/41/66/33/520416633.db2.gz XYYBOBQYTZPRSZ-GVDBMIGSSA-N 2 1 374.485 2.942 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900232 520805472 /nfs/dbraw/zinc/80/54/72/520805472.db2.gz BSEHLUNWTJGORF-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000595901414 520807782 /nfs/dbraw/zinc/80/77/82/520807782.db2.gz VJNPCLWYAOBNJB-INIZCTEOSA-N 2 1 363.458 2.694 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901600 520807802 /nfs/dbraw/zinc/80/78/02/520807802.db2.gz YRBPKIKSLVSDRR-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900786 520808020 /nfs/dbraw/zinc/80/80/20/520808020.db2.gz LFQWOIBPDUZOLK-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901290 520808377 /nfs/dbraw/zinc/80/83/77/520808377.db2.gz UUEAVHDNCMVHTI-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844314 521566221 /nfs/dbraw/zinc/56/62/21/521566221.db2.gz AECPETVFUXHDHK-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844314 521566229 /nfs/dbraw/zinc/56/62/29/521566229.db2.gz AECPETVFUXHDHK-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496419 1014600038 /nfs/dbraw/zinc/60/00/38/1014600038.db2.gz SGUCWOKIOXIVLM-AFMYVXGZSA-N 2 1 369.469 2.997 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249055 1015437418 /nfs/dbraw/zinc/43/74/18/1015437418.db2.gz CROOIOAYKCCLNZ-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433700 1020463643 /nfs/dbraw/zinc/46/36/43/1020463643.db2.gz FKXZWEJUYCRKSA-VHDGCEQUSA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433700 1020463650 /nfs/dbraw/zinc/46/36/50/1020463650.db2.gz FKXZWEJUYCRKSA-VHDGCEQUSA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433700 1020463654 /nfs/dbraw/zinc/46/36/54/1020463654.db2.gz FKXZWEJUYCRKSA-VHDGCEQUSA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433700 1020463660 /nfs/dbraw/zinc/46/36/60/1020463660.db2.gz FKXZWEJUYCRKSA-VHDGCEQUSA-N 2 1 357.414 2.589 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087131 1038372778 /nfs/dbraw/zinc/37/27/78/1038372778.db2.gz PDVLIEMMWFSAQG-HNNXBMFYSA-N 2 1 362.474 2.646 20 5 FFBDMP COc1cc(N2CCC([NH+]3CCC([NH+]4CCC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256103817 1038388104 /nfs/dbraw/zinc/38/81/04/1038388104.db2.gz PGRROHVKOZMNAE-UHFFFAOYSA-N 2 1 374.485 2.742 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC001308823235 1052503218 /nfs/dbraw/zinc/50/32/18/1052503218.db2.gz MHSAMOSZLDCFQN-HXUWFJFHSA-N 2 1 359.470 2.714 20 5 FFBDMP CN1CC[NH+](CC2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC001336477008 1054015625 /nfs/dbraw/zinc/01/56/25/1054015625.db2.gz PLOPFUNVZXOCMZ-UHFFFAOYSA-N 2 1 369.469 2.607 20 5 FFBDMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001336805735 1054243883 /nfs/dbraw/zinc/24/38/83/1054243883.db2.gz XQNHCUVZNDMCGF-INIZCTEOSA-N 2 1 360.458 2.635 20 5 FFBDMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001474356279 1065500798 /nfs/dbraw/zinc/50/07/98/1065500798.db2.gz YQBUIRHTAVYKPZ-UYAOXDASSA-N 2 1 361.486 2.552 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000267398028 251346094 /nfs/dbraw/zinc/34/60/94/251346094.db2.gz FHHSJYSHPAQTLG-KBPBESRZSA-N 2 1 357.414 2.833 20 5 FFBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636305 508199766 /nfs/dbraw/zinc/19/97/66/508199766.db2.gz CDTUNQPMRPFHAI-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636305 508199768 /nfs/dbraw/zinc/19/97/68/508199768.db2.gz CDTUNQPMRPFHAI-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636305 508199769 /nfs/dbraw/zinc/19/97/69/508199769.db2.gz CDTUNQPMRPFHAI-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000124334408 508817527 /nfs/dbraw/zinc/81/75/27/508817527.db2.gz ILEKRRCMDPQJAO-FQEVSTJZSA-N 2 1 374.529 2.779 20 5 FFBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236930104 509536131 /nfs/dbraw/zinc/53/61/31/509536131.db2.gz LEBOESTVORFBOG-HNNXBMFYSA-N 2 1 357.458 2.817 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000238064765 509813065 /nfs/dbraw/zinc/81/30/65/509813065.db2.gz BZMRZXZQLNMLKH-INIZCTEOSA-N 2 1 361.467 2.870 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000293166756 511866437 /nfs/dbraw/zinc/86/64/37/511866437.db2.gz CSFYARYWXZVVFL-UHFFFAOYSA-N 2 1 369.469 2.779 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(C)C ZINC000441374205 513554302 /nfs/dbraw/zinc/55/43/02/513554302.db2.gz DOZMXTJEULCIAR-UHFFFAOYSA-N 2 1 372.469 2.970 20 5 FFBDMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000420317557 514090781 /nfs/dbraw/zinc/09/07/81/514090781.db2.gz VCZUEODMILLLMC-UHFFFAOYSA-N 2 1 356.426 2.774 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449160996 514097970 /nfs/dbraw/zinc/09/79/70/514097970.db2.gz DAERGSDXZAVCST-UTKZUKDTSA-N 2 1 369.465 2.752 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160996 514097977 /nfs/dbraw/zinc/09/79/77/514097977.db2.gz DAERGSDXZAVCST-UTKZUKDTSA-N 2 1 369.465 2.752 20 5 FFBDMP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569754 515723013 /nfs/dbraw/zinc/72/30/13/515723013.db2.gz QFLZIPXNGUPZHW-AEFFLSMTSA-N 2 1 362.474 2.613 20 5 FFBDMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569754 515723019 /nfs/dbraw/zinc/72/30/19/515723019.db2.gz QFLZIPXNGUPZHW-AEFFLSMTSA-N 2 1 362.474 2.613 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552262316 517167807 /nfs/dbraw/zinc/16/78/07/517167807.db2.gz QCBCYCSKNZYTOM-IBGZPJMESA-N 2 1 369.469 2.882 20 5 FFBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000592428530 520387595 /nfs/dbraw/zinc/38/75/95/520387595.db2.gz WKHJXOMOVXGISV-UHFFFAOYSA-N 2 1 360.483 2.660 20 5 FFBDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385382 738134896 /nfs/dbraw/zinc/13/48/96/738134896.db2.gz ASZDZKJNAYTHMH-TVFCKZIOSA-N 2 1 367.877 2.818 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340940 742265164 /nfs/dbraw/zinc/26/51/64/742265164.db2.gz SSDSKMAZBYPKSC-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C ZINC000888378924 986345933 /nfs/dbraw/zinc/34/59/33/986345933.db2.gz FFJHFQMWNJUZGC-UHFFFAOYSA-N 2 1 369.425 2.611 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@@H]1C(C)C ZINC000922392707 988552252 /nfs/dbraw/zinc/55/22/52/988552252.db2.gz GOGRAJNCOPJJOR-AKHDSKFASA-N 2 1 365.449 2.693 20 5 FFBDMP CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879704142 1015646444 /nfs/dbraw/zinc/64/64/44/1015646444.db2.gz MASNBQCNPTYBMI-UHFFFAOYSA-N 2 1 362.474 2.833 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149326 999761572 /nfs/dbraw/zinc/76/15/72/999761572.db2.gz IBPBQDUHYLTHEB-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149326 999761573 /nfs/dbraw/zinc/76/15/73/999761573.db2.gz IBPBQDUHYLTHEB-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000121630651 1009104025 /nfs/dbraw/zinc/10/40/25/1009104025.db2.gz QOMKISABKAWHPP-OAHLLOKOSA-N 2 1 362.474 2.894 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001173184068 1012326966 /nfs/dbraw/zinc/32/69/66/1012326966.db2.gz CQNRFNKTAIDFOX-MCIONIFRSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001173184068 1012326981 /nfs/dbraw/zinc/32/69/81/1012326981.db2.gz CQNRFNKTAIDFOX-MCIONIFRSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001173184068 1012326998 /nfs/dbraw/zinc/32/69/98/1012326998.db2.gz CQNRFNKTAIDFOX-MCIONIFRSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001173184068 1012327014 /nfs/dbraw/zinc/32/70/14/1012327014.db2.gz CQNRFNKTAIDFOX-MCIONIFRSA-N 2 1 351.422 2.557 20 5 FFBDMP [NH3+]CCCCCCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000842478792 1030755291 /nfs/dbraw/zinc/75/52/91/1030755291.db2.gz PCSFYEKAMFQUKR-UHFFFAOYSA-N 2 1 374.489 2.892 20 5 FFBDMP CCO[C@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001561031441 1076322363 /nfs/dbraw/zinc/32/23/63/1076322363.db2.gz QYDAUCRPULCKHL-FQEVSTJZSA-N 2 1 361.486 2.960 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072720096 507847389 /nfs/dbraw/zinc/84/73/89/507847389.db2.gz CLODKSJNMAWUAP-INIZCTEOSA-N 2 1 360.458 2.731 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000237964358 509788137 /nfs/dbraw/zinc/78/81/37/509788137.db2.gz BZMRZXZQLNMLKH-MRXNPFEDSA-N 2 1 361.467 2.870 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389357 510125872 /nfs/dbraw/zinc/12/58/72/510125872.db2.gz RYTRLSRTPOGRLI-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000174773131 510304900 /nfs/dbraw/zinc/30/49/00/510304900.db2.gz RRAUKAZGKSQIFP-CZUORRHYSA-N 2 1 359.430 2.807 20 5 FFBDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1 ZINC000374075226 512650360 /nfs/dbraw/zinc/65/03/60/512650360.db2.gz RBAROOAJMQOLIW-GOSISDBHSA-N 2 1 372.469 2.508 20 5 FFBDMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420304634 514082286 /nfs/dbraw/zinc/08/22/86/514082286.db2.gz FEKDZDZFGNEIFP-UHFFFAOYSA-N 2 1 356.426 2.774 20 5 FFBDMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907053 514350306 /nfs/dbraw/zinc/35/03/06/514350306.db2.gz AIGRMUCGXLKWDZ-NEPJUHHUSA-N 2 1 359.373 2.607 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000424301146 514449527 /nfs/dbraw/zinc/44/95/27/514449527.db2.gz XFBNDNILJVYXII-AWEZNQCLSA-N 2 1 360.458 2.696 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552067648 517061139 /nfs/dbraw/zinc/06/11/39/517061139.db2.gz SLAUTNPTKPGFEJ-KRWDZBQOSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552262317 517168241 /nfs/dbraw/zinc/16/82/41/517168241.db2.gz QCBCYCSKNZYTOM-LJQANCHMSA-N 2 1 369.469 2.882 20 5 FFBDMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518384 520012559 /nfs/dbraw/zinc/01/25/59/520012559.db2.gz HDGRNVIBPJZPFA-KRWDZBQOSA-N 2 1 356.426 2.707 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000601188978 520678991 /nfs/dbraw/zinc/67/89/91/520678991.db2.gz DJGZZTOEQYNVQN-HNNXBMFYSA-N 2 1 356.426 2.834 20 5 FFBDMP O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262134591 729659666 /nfs/dbraw/zinc/65/96/66/729659666.db2.gz YOEJQWAIKLOZHY-UHFFFAOYSA-N 2 1 354.248 2.933 20 5 FFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262134591 729659669 /nfs/dbraw/zinc/65/96/69/729659669.db2.gz YOEJQWAIKLOZHY-UHFFFAOYSA-N 2 1 354.248 2.933 20 5 FFBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000872067550 731725899 /nfs/dbraw/zinc/72/58/99/731725899.db2.gz BANGUMFDMHHHKG-AWEZNQCLSA-N 2 1 366.531 2.993 20 5 FFBDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000893392783 734696563 /nfs/dbraw/zinc/69/65/63/734696563.db2.gz LKWSXMMQRMAHQZ-UHFFFAOYSA-N 2 1 364.833 2.873 20 5 FFBDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104780 747270958 /nfs/dbraw/zinc/27/09/58/747270958.db2.gz SHDANMZUPQLKCE-RDJZCZTQSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903121 748132565 /nfs/dbraw/zinc/13/25/65/748132565.db2.gz SRMUBSFWYXBIAS-VBQJREDUSA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001172904438 1012076826 /nfs/dbraw/zinc/07/68/26/1012076826.db2.gz NOWUMZRAOULIQD-VQTJNVASSA-N 2 1 373.497 2.933 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001172904438 1012076838 /nfs/dbraw/zinc/07/68/38/1012076838.db2.gz NOWUMZRAOULIQD-VQTJNVASSA-N 2 1 373.497 2.933 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001173191196 1012332064 /nfs/dbraw/zinc/33/20/64/1012332064.db2.gz AZMNQZQJKJURNF-ZDUSSCGKSA-N 2 1 351.422 2.701 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001173191193 1012333312 /nfs/dbraw/zinc/33/33/12/1012333312.db2.gz AZMNQZQJKJURNF-CYBMUJFWSA-N 2 1 351.422 2.701 20 5 FFBDMP CCc1ccc([C@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925811411 1017856102 /nfs/dbraw/zinc/85/61/02/1017856102.db2.gz IOXMAIGADNTBEQ-HXUWFJFHSA-N 2 1 372.469 2.852 20 5 FFBDMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155257847 1028647174 /nfs/dbraw/zinc/64/71/74/1028647174.db2.gz KKLANBACULYBMP-IDVQTMNDSA-N 2 1 352.398 2.881 20 5 FFBDMP C[NH+](C)/C=C\c1cc(N2CCC3(CC2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC001165185713 1029439671 /nfs/dbraw/zinc/43/96/71/1029439671.db2.gz QVMDBCXZOBDPFF-WTKPLQERSA-N 2 1 359.474 2.834 20 5 FFBDMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001221254787 1034629132 /nfs/dbraw/zinc/62/91/32/1034629132.db2.gz SZLDODUQGFHMDJ-AOMKIAJQSA-N 2 1 361.489 2.931 20 5 FFBDMP Cc1cc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001254606332 1040834999 /nfs/dbraw/zinc/83/49/99/1040834999.db2.gz GKFDBRZYTICOIX-LJQANCHMSA-N 2 1 367.453 2.727 20 5 FFBDMP C[N@@H+](C[C@@H](O)C1CC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308745218 1052494163 /nfs/dbraw/zinc/49/41/63/1052494163.db2.gz SGLZRNLSMWIORF-HXUWFJFHSA-N 2 1 361.486 2.552 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759996 1055771782 /nfs/dbraw/zinc/77/17/82/1055771782.db2.gz IDWDROPODDXYGD-JYJNAYRXSA-N 2 1 357.458 2.873 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000278688331 256338591 /nfs/dbraw/zinc/33/85/91/256338591.db2.gz KFRIXKDTCKGTKL-AQNXPRMDSA-N 2 1 359.470 2.940 20 5 FFBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631144 508199562 /nfs/dbraw/zinc/19/95/62/508199562.db2.gz XQIJFZQYUGZUNY-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631144 508199565 /nfs/dbraw/zinc/19/95/65/508199565.db2.gz XQIJFZQYUGZUNY-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631144 508199568 /nfs/dbraw/zinc/19/95/68/508199568.db2.gz XQIJFZQYUGZUNY-MRXNPFEDSA-N 2 1 360.458 2.587 20 5 FFBDMP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000134209660 508508111 /nfs/dbraw/zinc/50/81/11/508508111.db2.gz JSMQXRCECDUEGN-UHFFFAOYSA-N 2 1 363.458 2.920 20 5 FFBDMP C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766455 509345170 /nfs/dbraw/zinc/34/51/70/509345170.db2.gz QYARXUCIYQMNAB-HOTGVXAUSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766455 509345177 /nfs/dbraw/zinc/34/51/77/509345177.db2.gz QYARXUCIYQMNAB-HOTGVXAUSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084385 511994759 /nfs/dbraw/zinc/99/47/59/511994759.db2.gz JSLALKCJHCMMPG-BOFPYLFWSA-N 2 1 362.474 2.596 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 ZINC000369704751 512563991 /nfs/dbraw/zinc/56/39/91/512563991.db2.gz RFDWSWNLMFAPOJ-UHFFFAOYSA-N 2 1 361.442 2.769 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000374975937 513094903 /nfs/dbraw/zinc/09/49/03/513094903.db2.gz DOARJXHHCADJPS-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000374975937 513094906 /nfs/dbraw/zinc/09/49/06/513094906.db2.gz DOARJXHHCADJPS-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385713 513572647 /nfs/dbraw/zinc/57/26/47/513572647.db2.gz SVOSMIFXQFURAJ-JCGIZDLHSA-N 2 1 355.442 2.555 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332146 514098462 /nfs/dbraw/zinc/09/84/62/514098462.db2.gz CRFFEQWPAVGUCE-YOEHRIQHSA-N 2 1 360.458 2.694 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110046 514447125 /nfs/dbraw/zinc/44/71/25/514447125.db2.gz OSTYUHPAVWCGAV-SJORKVTESA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119907 514451350 /nfs/dbraw/zinc/45/13/50/514451350.db2.gz FUJZHZVBNZPSIS-PBHICJAKSA-N 2 1 353.850 2.967 20 5 FFBDMP NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000415139369 514464644 /nfs/dbraw/zinc/46/46/44/514464644.db2.gz WOSFKKXNFPKNGK-UHFFFAOYSA-N 2 1 354.454 2.678 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424388021 514469522 /nfs/dbraw/zinc/46/95/22/514469522.db2.gz YXVKFBOVGSLFEY-HNNXBMFYSA-N 2 1 369.469 2.959 20 5 FFBDMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459731227 515776379 /nfs/dbraw/zinc/77/63/79/515776379.db2.gz KYOVJRVIAMROGT-HNNXBMFYSA-N 2 1 357.458 2.817 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000470208595 516172954 /nfs/dbraw/zinc/17/29/54/516172954.db2.gz ZSXHOYRJELQYAE-QINSGFPZSA-N 2 1 353.426 2.919 20 5 FFBDMP CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579268673 518600328 /nfs/dbraw/zinc/60/03/28/518600328.db2.gz ORIRLLWUAWWSPI-GOSISDBHSA-N 2 1 357.458 2.739 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000574414791 519146335 /nfs/dbraw/zinc/14/63/35/519146335.db2.gz OVLQTSHSJXCXSJ-DFQSSKMNSA-N 2 1 359.470 2.940 20 5 FFBDMP CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580908551 519421493 /nfs/dbraw/zinc/42/14/93/519421493.db2.gz SXNNQGBYRNBHLQ-GOSISDBHSA-N 2 1 357.458 2.739 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000594525117 520015270 /nfs/dbraw/zinc/01/52/70/520015270.db2.gz RZFGFZUUNDWNHV-SFHVURJKSA-N 2 1 372.469 2.852 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433775 520389977 /nfs/dbraw/zinc/38/99/77/520389977.db2.gz WNDVAYFTCRZBNS-LSDHHAIUSA-N 2 1 361.442 2.578 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493964 520415872 /nfs/dbraw/zinc/41/58/72/520415872.db2.gz XYYBOBQYTZPRSZ-ULQDDVLXSA-N 2 1 374.485 2.942 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000601191668 520679538 /nfs/dbraw/zinc/67/95/38/520679538.db2.gz PEPHSOLTYQROFS-UHFFFAOYSA-N 2 1 370.453 2.868 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000595900847 520807127 /nfs/dbraw/zinc/80/71/27/520807127.db2.gz NFRRBLWOTKJFBV-INIZCTEOSA-N 2 1 371.441 2.856 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000602807685 521543398 /nfs/dbraw/zinc/54/33/98/521543398.db2.gz ZSZXVEHYJRIHJT-ZDUSSCGKSA-N 2 1 354.414 2.945 20 5 FFBDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033168 731722528 /nfs/dbraw/zinc/72/25/28/731722528.db2.gz GBCFAITUKKPVFG-CQSZACIVSA-N 2 1 352.454 2.658 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387111 747822531 /nfs/dbraw/zinc/82/25/31/747822531.db2.gz FEFXJYPLBQTVHU-CHWSQXEVSA-N 2 1 366.849 2.508 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337154 991075913 /nfs/dbraw/zinc/07/59/13/991075913.db2.gz XFRKRKIIGGDCJM-ICSRJNTNSA-N 2 1 370.453 2.668 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337154 991075926 /nfs/dbraw/zinc/07/59/26/991075926.db2.gz XFRKRKIIGGDCJM-ICSRJNTNSA-N 2 1 370.453 2.668 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727678 1006491236 /nfs/dbraw/zinc/49/12/36/1006491236.db2.gz CARAROWQFDZHHN-OAHLLOKOSA-N 2 1 356.426 2.880 20 5 FFBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000859213698 1008488511 /nfs/dbraw/zinc/48/85/11/1008488511.db2.gz ZUTODGGAQKKICO-GOSISDBHSA-N 2 1 373.453 2.528 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886869825 1008908134 /nfs/dbraw/zinc/90/81/34/1008908134.db2.gz JEAVTNXEXBCZTR-LJQANCHMSA-N 2 1 360.458 2.697 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798143 1017852362 /nfs/dbraw/zinc/85/23/62/1017852362.db2.gz QRILWMIIILJEPR-ZWKOTPCHSA-N 2 1 359.470 2.664 20 5 FFBDMP Cn1ccnc1[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958148 1020331839 /nfs/dbraw/zinc/33/18/39/1020331839.db2.gz MGUPOTMDQUUMFV-HNNXBMFYSA-N 2 1 352.398 2.639 20 5 FFBDMP Cn1ccnc1[C@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958148 1020331850 /nfs/dbraw/zinc/33/18/50/1020331850.db2.gz MGUPOTMDQUUMFV-HNNXBMFYSA-N 2 1 352.398 2.639 20 5 FFBDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963458 1020332855 /nfs/dbraw/zinc/33/28/55/1020332855.db2.gz LRKRULMXVJTOFP-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+](C)/C=C/c1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ncc1[N+](=O)[O-] ZINC001157220933 1029509523 /nfs/dbraw/zinc/50/95/23/1029509523.db2.gz SEPOUUWPQVJWMO-SOFGYWHQSA-N 2 1 367.409 2.673 20 5 FFBDMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485969 1039368818 /nfs/dbraw/zinc/36/88/18/1039368818.db2.gz XDMIQLRENUWDEE-JKSUJKDBSA-N 2 1 362.477 2.848 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001246559273 1039395480 /nfs/dbraw/zinc/39/54/80/1039395480.db2.gz OUWRSUPDUWQBET-IHRRRGAJSA-N 2 1 353.438 2.980 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001246561241 1039397650 /nfs/dbraw/zinc/39/76/50/1039397650.db2.gz JPOMULALJUZDSG-IHRRRGAJSA-N 2 1 353.438 2.980 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633206 1039423704 /nfs/dbraw/zinc/42/37/04/1039423704.db2.gz FBRQXYUKSPNGEI-UYAOXDASSA-N 2 1 359.470 2.544 20 5 FFBDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275449904 256008165 /nfs/dbraw/zinc/00/81/65/256008165.db2.gz IHYNJOJLCIQHCX-UHFFFAOYSA-N 2 1 366.437 2.867 20 5 FFBDMP CCOc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845289 258070135 /nfs/dbraw/zinc/07/01/35/258070135.db2.gz MAPIHZHTKPYQBX-BYICEURKSA-N 2 1 374.485 2.741 20 5 FFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000072630430 507834208 /nfs/dbraw/zinc/83/42/08/507834208.db2.gz DXKGPXUIMHFQFC-MRXNPFEDSA-N 2 1 374.485 2.532 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095536 508137298 /nfs/dbraw/zinc/13/72/98/508137298.db2.gz UPSVCKKXTQQYLP-PBHICJAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095536 508137299 /nfs/dbraw/zinc/13/72/99/508137299.db2.gz UPSVCKKXTQQYLP-PBHICJAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095536 508137300 /nfs/dbraw/zinc/13/73/00/508137300.db2.gz UPSVCKKXTQQYLP-PBHICJAKSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150835219 508903875 /nfs/dbraw/zinc/90/38/75/508903875.db2.gz KNXQTKSCPNXIJK-INIZCTEOSA-N 2 1 360.458 2.650 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217796 511646312 /nfs/dbraw/zinc/64/63/12/511646312.db2.gz TUDLWNLDNCTKQN-VKJFTORMSA-N 2 1 364.490 2.965 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217796 511646316 /nfs/dbraw/zinc/64/63/16/511646316.db2.gz TUDLWNLDNCTKQN-VKJFTORMSA-N 2 1 364.490 2.965 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517297 512539098 /nfs/dbraw/zinc/53/90/98/512539098.db2.gz KWCRFFPMYHYKAU-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517297 512539101 /nfs/dbraw/zinc/53/91/01/512539101.db2.gz KWCRFFPMYHYKAU-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845726 515029556 /nfs/dbraw/zinc/02/95/56/515029556.db2.gz LLXGUJIOMYQOIB-SJORKVTESA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845726 515029567 /nfs/dbraw/zinc/02/95/67/515029567.db2.gz LLXGUJIOMYQOIB-SJORKVTESA-N 2 1 357.458 2.500 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878098 519944653 /nfs/dbraw/zinc/94/46/53/519944653.db2.gz UUBXLCZSIGJURU-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900647 520806034 /nfs/dbraw/zinc/80/60/34/520806034.db2.gz IYHXWEGWCTVBBN-QGZVFWFLSA-N 2 1 374.485 2.943 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596449987 521077581 /nfs/dbraw/zinc/07/75/81/521077581.db2.gz QLHHEIPRXNOSRU-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596449987 521077591 /nfs/dbraw/zinc/07/75/91/521077591.db2.gz QLHHEIPRXNOSRU-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475150 1015845160 /nfs/dbraw/zinc/84/51/60/1015845160.db2.gz UEQVCSSRCNLQRE-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP COc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170325935 1003113676 /nfs/dbraw/zinc/11/36/76/1003113676.db2.gz YNZNFSSSJYPEMK-OAHLLOKOSA-N 2 1 370.453 2.879 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000819015665 1008023573 /nfs/dbraw/zinc/02/35/73/1008023573.db2.gz MZCXRZIISUKCMA-GHTZIAJQSA-N 2 1 369.465 2.782 20 5 FFBDMP O=C1NCC[C@]12C[N@@H+](Cc1c3ccccc3cc3ccccc31)CC21C[NH2+]C1 ZINC001222521289 1033025312 /nfs/dbraw/zinc/02/53/12/1033025312.db2.gz PEKWQXHQCGIFDQ-DEOSSOPVSA-N 2 1 371.484 2.905 20 5 FFBDMP C[C@H]1[NH2+]C[C@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001218385184 1033130908 /nfs/dbraw/zinc/13/09/08/1033130908.db2.gz GTLZUGAQKBXSDC-BFUOFWGJSA-N 2 1 364.449 2.627 20 5 FFBDMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204428995 1031283781 /nfs/dbraw/zinc/28/37/81/1031283781.db2.gz ACHVDOPFYSLIFO-SJORKVTESA-N 2 1 361.486 2.959 20 5 FFBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]([NH3+])CC(F)F ZINC001219005309 1033456192 /nfs/dbraw/zinc/45/61/92/1033456192.db2.gz KDEPSTITJKBNDI-AWEZNQCLSA-N 2 1 374.391 2.878 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C2 ZINC001254572034 1040806997 /nfs/dbraw/zinc/80/69/97/1040806997.db2.gz GRAJDOJIILNKPS-FQEVSTJZSA-N 2 1 367.449 2.684 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001254583870 1040816853 /nfs/dbraw/zinc/81/68/53/1040816853.db2.gz OIRWOVDDFMIFES-HXUWFJFHSA-N 2 1 367.449 2.684 20 5 FFBDMP C[N@H+](Cc1cnccn1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560659237 1076289156 /nfs/dbraw/zinc/28/91/56/1076289156.db2.gz BWRGCGRWMKDHOU-UHFFFAOYSA-N 2 1 369.469 2.771 20 5 FFBDMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093088634 250016036 /nfs/dbraw/zinc/01/60/36/250016036.db2.gz JLTVROMVNHQCFP-UHFFFAOYSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596958 250039592 /nfs/dbraw/zinc/03/95/92/250039592.db2.gz KNYSWFLPHZPVQU-MRXNPFEDSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596958 250039599 /nfs/dbraw/zinc/03/95/99/250039599.db2.gz KNYSWFLPHZPVQU-MRXNPFEDSA-N 2 1 369.469 2.913 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268800253 251387762 /nfs/dbraw/zinc/38/77/62/251387762.db2.gz HIOFSVLWYJVLET-HXUWFJFHSA-N 2 1 374.529 2.923 20 5 FFBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289417101 257280261 /nfs/dbraw/zinc/28/02/61/257280261.db2.gz IQKXKUHZWMVDFO-UHFFFAOYSA-N 2 1 372.469 2.924 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095871 508137326 /nfs/dbraw/zinc/13/73/26/508137326.db2.gz QZEDUSYWWSDMSM-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095871 508137327 /nfs/dbraw/zinc/13/73/27/508137327.db2.gz QZEDUSYWWSDMSM-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095871 508137328 /nfs/dbraw/zinc/13/73/28/508137328.db2.gz QZEDUSYWWSDMSM-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000183685741 509926879 /nfs/dbraw/zinc/92/68/79/509926879.db2.gz SBLCIHAHPIOTJU-CQSZACIVSA-N 2 1 367.409 2.601 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000449232995 514125104 /nfs/dbraw/zinc/12/51/04/514125104.db2.gz JXTUZQNEBJLXNN-JXFKEZNVSA-N 2 1 369.465 2.882 20 5 FFBDMP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432865825 514305288 /nfs/dbraw/zinc/30/52/88/514305288.db2.gz MMRAOCFFWOOVMD-HNNXBMFYSA-N 2 1 358.442 2.786 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119908 514451574 /nfs/dbraw/zinc/45/15/74/514451574.db2.gz FUJZHZVBNZPSIS-RHSMWYFYSA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470955781 514691032 /nfs/dbraw/zinc/69/10/32/514691032.db2.gz OOLVCLYVRHIBBZ-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470955781 514691037 /nfs/dbraw/zinc/69/10/37/514691037.db2.gz OOLVCLYVRHIBBZ-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470955781 514691042 /nfs/dbraw/zinc/69/10/42/514691042.db2.gz OOLVCLYVRHIBBZ-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475728400 514781112 /nfs/dbraw/zinc/78/11/12/514781112.db2.gz AKZHSCHQBDNUOW-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475728400 514781121 /nfs/dbraw/zinc/78/11/21/514781121.db2.gz AKZHSCHQBDNUOW-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475728400 514781126 /nfs/dbraw/zinc/78/11/26/514781126.db2.gz AKZHSCHQBDNUOW-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475728400 514781133 /nfs/dbraw/zinc/78/11/33/514781133.db2.gz AKZHSCHQBDNUOW-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594504540 520006456 /nfs/dbraw/zinc/00/64/56/520006456.db2.gz JDLGZVSBZXQSNQ-INIZCTEOSA-N 2 1 353.850 2.634 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478719 520407190 /nfs/dbraw/zinc/40/71/90/520407190.db2.gz ITGSKIVCVWQHOH-QAPCUYQASA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492970 520416216 /nfs/dbraw/zinc/41/62/16/520416216.db2.gz JVAUFIOWCXKHLM-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901308 520808056 /nfs/dbraw/zinc/80/80/56/520808056.db2.gz VFKAADMCWJQREO-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872023350 731721196 /nfs/dbraw/zinc/72/11/96/731721196.db2.gz RBNZDLKBYWEBHX-OAHLLOKOSA-N 2 1 352.454 2.802 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902199 748131708 /nfs/dbraw/zinc/13/17/08/748131708.db2.gz KZGIVXHBXUNEKP-MRRJBJDNSA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000873135555 1013396811 /nfs/dbraw/zinc/39/68/11/1013396811.db2.gz JRFHJDFMNQYYAO-IBGZPJMESA-N 2 1 355.438 2.760 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000877007459 1014447033 /nfs/dbraw/zinc/44/70/33/1014447033.db2.gz QXIPFXVSNHHLEQ-VIQWUECVSA-N 2 1 369.469 2.649 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000866260787 1010964560 /nfs/dbraw/zinc/96/45/60/1010964560.db2.gz WZTOISYIFGKKLN-OAHLLOKOSA-N 2 1 366.481 2.528 20 5 FFBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906101 1012077082 /nfs/dbraw/zinc/07/70/82/1012077082.db2.gz XAPXVYIUMPMNAU-KZNAEPCWSA-N 2 1 359.470 2.813 20 5 FFBDMP CCc1ccc([C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925811409 1017857200 /nfs/dbraw/zinc/85/72/00/1017857200.db2.gz IOXMAIGADNTBEQ-FQEVSTJZSA-N 2 1 372.469 2.852 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308271 1020413844 /nfs/dbraw/zinc/41/38/44/1020413844.db2.gz SEVKWLDOVJRSBW-OALUTQOASA-N 2 1 360.458 2.505 20 5 FFBDMP COc1cccc2c1c(C[NH3+])cn2-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160765299 1027867607 /nfs/dbraw/zinc/86/76/07/1027867607.db2.gz NOKQLERFIVEPCA-BQYQJAHWSA-N 2 1 367.409 2.933 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474334 1030750077 /nfs/dbraw/zinc/75/00/77/1030750077.db2.gz NVKQSYULAPZNMB-SUMWQHHRSA-N 2 1 364.421 2.527 20 5 FFBDMP COc1cc(N2CCC([N@@H+]3C[C@H]4[C@H](C3)CCCN4C)CC2)ccc1[N+](=O)[O-] ZINC001256101346 1038387930 /nfs/dbraw/zinc/38/79/30/1038387930.db2.gz FMPGJPWTXYBQDE-KXBFYZLASA-N 2 1 374.485 2.598 20 5 FFBDMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[NH2+]1 ZINC001246083388 1039238833 /nfs/dbraw/zinc/23/88/33/1039238833.db2.gz HMHAJBLYFBDNRJ-AAEUAGOBSA-N 2 1 354.401 2.572 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001246558632 1039397101 /nfs/dbraw/zinc/39/71/01/1039397101.db2.gz NNNRYOPMYMLWTA-YVEFUNNKSA-N 2 1 357.401 2.826 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253207 1053270544 /nfs/dbraw/zinc/27/05/44/1053270544.db2.gz MAAXDKXLJBISMZ-JYJNAYRXSA-N 2 1 357.458 2.873 20 5 FFBDMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001474356278 1065502628 /nfs/dbraw/zinc/50/26/28/1065502628.db2.gz YQBUIRHTAVYKPZ-QUCCMNQESA-N 2 1 361.486 2.552 20 5 FFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823445 507857945 /nfs/dbraw/zinc/85/79/45/507857945.db2.gz NEHAWUGAJCMTQL-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636300 508199840 /nfs/dbraw/zinc/19/98/40/508199840.db2.gz CDTUNQPMRPFHAI-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636300 508199842 /nfs/dbraw/zinc/19/98/42/508199842.db2.gz CDTUNQPMRPFHAI-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636300 508199845 /nfs/dbraw/zinc/19/98/45/508199845.db2.gz CDTUNQPMRPFHAI-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123155399 508643967 /nfs/dbraw/zinc/64/39/67/508643967.db2.gz ACXXQSPSPMGDQG-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271481712 511219446 /nfs/dbraw/zinc/21/94/46/511219446.db2.gz NPSMRMKGRIXIGK-APWZRJJASA-N 2 1 365.474 2.700 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000274875403 511973150 /nfs/dbraw/zinc/97/31/50/511973150.db2.gz XIUYKPQCHWLSHB-IAGOWNOFSA-N 2 1 365.474 2.700 20 5 FFBDMP C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481865 514149408 /nfs/dbraw/zinc/14/94/08/514149408.db2.gz QYFDOSCQDUNVHX-UONOGXRCSA-N 2 1 360.483 2.878 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282774 514445982 /nfs/dbraw/zinc/44/59/82/514445982.db2.gz AKRJBAIAOGSMAT-HNNXBMFYSA-N 2 1 360.458 2.696 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285514 515203113 /nfs/dbraw/zinc/20/31/13/515203113.db2.gz PJBPZGZAYMFSOK-QGZVFWFLSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285514 515203122 /nfs/dbraw/zinc/20/31/22/515203122.db2.gz PJBPZGZAYMFSOK-QGZVFWFLSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680996 515923163 /nfs/dbraw/zinc/92/31/63/515923163.db2.gz YRPYHYPMBKZNMY-OAHLLOKOSA-N 2 1 369.437 2.675 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680996 515923175 /nfs/dbraw/zinc/92/31/75/515923175.db2.gz YRPYHYPMBKZNMY-OAHLLOKOSA-N 2 1 369.437 2.675 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000488408123 516218029 /nfs/dbraw/zinc/21/80/29/516218029.db2.gz RIPBQRCSVOOFKI-UHFFFAOYSA-N 2 1 374.485 2.538 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068137 517902992 /nfs/dbraw/zinc/90/29/92/517902992.db2.gz MCYZCBOCMUOTDH-KGLIPLIRSA-N 2 1 359.430 2.743 20 5 FFBDMP CCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000530833949 518000976 /nfs/dbraw/zinc/00/09/76/518000976.db2.gz ZAIOIVWRKIUPRI-UHFFFAOYSA-N 2 1 369.425 2.556 20 5 FFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000579125613 518535305 /nfs/dbraw/zinc/53/53/05/518535305.db2.gz DVNMLSOQEKCZNZ-BHYGNILZSA-N 2 1 356.426 2.852 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959189 518713926 /nfs/dbraw/zinc/71/39/26/518713926.db2.gz OPJXLOALBWKEQS-QGZVFWFLSA-N 2 1 355.442 2.578 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959189 518713930 /nfs/dbraw/zinc/71/39/30/518713930.db2.gz OPJXLOALBWKEQS-QGZVFWFLSA-N 2 1 355.442 2.578 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490202 519578503 /nfs/dbraw/zinc/57/85/03/519578503.db2.gz UIIYWASJIRUUDG-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490202 519578511 /nfs/dbraw/zinc/57/85/11/519578511.db2.gz UIIYWASJIRUUDG-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490202 519578517 /nfs/dbraw/zinc/57/85/17/519578517.db2.gz UIIYWASJIRUUDG-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490202 519578527 /nfs/dbraw/zinc/57/85/27/519578527.db2.gz UIIYWASJIRUUDG-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493526 520415798 /nfs/dbraw/zinc/41/57/98/520415798.db2.gz UBORCMQXIKAKSB-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593315541 520903552 /nfs/dbraw/zinc/90/35/52/520903552.db2.gz LEQIJSWYOQVERU-LPHOPBHVSA-N 2 1 355.442 2.556 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602809365 521545782 /nfs/dbraw/zinc/54/57/82/521545782.db2.gz BXADCXHULZBGMD-QAPCUYQASA-N 2 1 357.458 2.600 20 5 FFBDMP O=C(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000602847239 521567014 /nfs/dbraw/zinc/56/70/14/521567014.db2.gz UZEHYYUDZBOKCR-UHFFFAOYSA-N 2 1 369.425 2.531 20 5 FFBDMP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950786 729058482 /nfs/dbraw/zinc/05/84/82/729058482.db2.gz VKRJJGGBMGEUPQ-UHFFFAOYSA-N 2 1 351.422 2.811 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000863652498 730799151 /nfs/dbraw/zinc/79/91/51/730799151.db2.gz ZQHCDGHRCHDNSJ-HNNXBMFYSA-N 2 1 353.850 2.839 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099378 747268961 /nfs/dbraw/zinc/26/89/61/747268961.db2.gz JHIPKGBXPBIXEM-NVXWUHKLSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104778 747270943 /nfs/dbraw/zinc/27/09/43/747270943.db2.gz SHDANMZUPQLKCE-DOTOQJQBSA-N 2 1 353.850 2.967 20 5 FFBDMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000877147780 1014488855 /nfs/dbraw/zinc/48/88/55/1014488855.db2.gz MYQBZXRCHQUEBO-LJQANCHMSA-N 2 1 374.485 2.636 20 5 FFBDMP C[NH+](C)CCCC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000766382980 999988790 /nfs/dbraw/zinc/98/87/90/999988790.db2.gz WBNUAAYCYKYFRX-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794632864 1010448243 /nfs/dbraw/zinc/44/82/43/1010448243.db2.gz RRNVULNKMKDVNF-UHFFFAOYSA-N 2 1 362.430 2.512 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866266891 1010966754 /nfs/dbraw/zinc/96/67/54/1010966754.db2.gz UBMZXWNHDVMVLB-KDOFPFPSSA-N 2 1 365.449 2.898 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC001173179429 1012321807 /nfs/dbraw/zinc/32/18/07/1012321807.db2.gz PKGOYWGQDOFAQC-KBPBESRZSA-N 2 1 353.438 2.995 20 5 FFBDMP C[NH+](C)/C=C\c1cc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165194838 1029441596 /nfs/dbraw/zinc/44/15/96/1029441596.db2.gz ZFJGCWGWQVVCGS-WDZFZDKYSA-N 2 1 359.474 2.977 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087132 1038372721 /nfs/dbraw/zinc/37/27/21/1038372721.db2.gz PDVLIEMMWFSAQG-OAHLLOKOSA-N 2 1 362.474 2.646 20 5 FFBDMP Cn1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001462655029 1061707868 /nfs/dbraw/zinc/70/78/68/1061707868.db2.gz PTQLNCQSOOMVBK-UHFFFAOYSA-N 2 1 371.485 2.715 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245562 512305392 /nfs/dbraw/zinc/30/53/92/512305392.db2.gz YPZBNIJKYJIIBM-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245562 512305396 /nfs/dbraw/zinc/30/53/96/512305396.db2.gz YPZBNIJKYJIIBM-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000129094169 508682321 /nfs/dbraw/zinc/68/23/21/508682321.db2.gz RRUJPDWJIDBPPS-DYVFJYSZSA-N 2 1 366.437 2.725 20 5 FFBDMP COc1ccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c([N+](=O)[O-])c1 ZINC000173960799 509876574 /nfs/dbraw/zinc/87/65/74/509876574.db2.gz PKRCKLITJPSWBS-OAHLLOKOSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c([N+](=O)[O-])c1 ZINC000173960799 509876580 /nfs/dbraw/zinc/87/65/80/509876580.db2.gz PKRCKLITJPSWBS-OAHLLOKOSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173960799 509876586 /nfs/dbraw/zinc/87/65/86/509876586.db2.gz PKRCKLITJPSWBS-OAHLLOKOSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173960799 509876591 /nfs/dbraw/zinc/87/65/91/509876591.db2.gz PKRCKLITJPSWBS-OAHLLOKOSA-N 2 1 351.447 2.788 20 5 FFBDMP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1ccnc1 ZINC000247014315 510798302 /nfs/dbraw/zinc/79/83/02/510798302.db2.gz DFRWGSJKLRESGA-CZUORRHYSA-N 2 1 368.397 2.924 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374178830 512695831 /nfs/dbraw/zinc/69/58/31/512695831.db2.gz ZBODAMAJDAQSFQ-UHFFFAOYSA-N 2 1 360.458 2.731 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000491207588 515397962 /nfs/dbraw/zinc/39/79/62/515397962.db2.gz YTXJAROTIGQDHH-OAHLLOKOSA-N 2 1 372.494 2.803 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000470170033 516158481 /nfs/dbraw/zinc/15/84/81/516158481.db2.gz NPOPRACWNHKVFO-SDXDJHTJSA-N 2 1 358.486 2.712 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409433 517450964 /nfs/dbraw/zinc/45/09/64/517450964.db2.gz WTHRVMLOPLGPTL-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409433 517450968 /nfs/dbraw/zinc/45/09/68/517450968.db2.gz WTHRVMLOPLGPTL-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414957 517610619 /nfs/dbraw/zinc/61/06/19/517610619.db2.gz SSXMFQFWWQCDGO-PNWMKBJFSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000538414957 517610628 /nfs/dbraw/zinc/61/06/28/517610628.db2.gz SSXMFQFWWQCDGO-PNWMKBJFSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414957 517610642 /nfs/dbraw/zinc/61/06/42/517610642.db2.gz SSXMFQFWWQCDGO-PNWMKBJFSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414957 517610651 /nfs/dbraw/zinc/61/06/51/517610651.db2.gz SSXMFQFWWQCDGO-PNWMKBJFSA-N 2 1 367.449 2.835 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336514 517710190 /nfs/dbraw/zinc/71/01/90/517710190.db2.gz NZKGOHLRWPNWCD-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336514 517710199 /nfs/dbraw/zinc/71/01/99/517710199.db2.gz NZKGOHLRWPNWCD-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000579013503 518480922 /nfs/dbraw/zinc/48/09/22/518480922.db2.gz CQUZTDRSKRPVNX-IBGZPJMESA-N 2 1 356.426 2.868 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594976289 520237286 /nfs/dbraw/zinc/23/72/86/520237286.db2.gz YTJAYEQWZNZNKU-HQMUEHRGSA-N 2 1 367.449 2.964 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479450 520407320 /nfs/dbraw/zinc/40/73/20/520407320.db2.gz ZQFOKSJASCDSOH-RDJZCZTQSA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492565 520417186 /nfs/dbraw/zinc/41/71/86/520417186.db2.gz AOLFLJXJFGSSBK-HZPDHXFCSA-N 2 1 371.441 2.856 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602808860 521546101 /nfs/dbraw/zinc/54/61/01/521546101.db2.gz FGXGHVCYZDOGHH-IGOJGBNBSA-N 2 1 371.485 2.846 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474035 1015845477 /nfs/dbraw/zinc/84/54/77/1015845477.db2.gz BANHMULOQVTUPI-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP C[N@@H+]1CCc2c(N3CCCc4ccc(C[NH3+])nc43)ccc([N+](=O)[O-])c2C1 ZINC001169591449 1000060174 /nfs/dbraw/zinc/06/01/74/1000060174.db2.gz JRWXAPSZIKSFPY-UHFFFAOYSA-N 2 1 353.426 2.521 20 5 FFBDMP C[N@H+]1CCc2c(N3CCCc4ccc(C[NH3+])nc43)ccc([N+](=O)[O-])c2C1 ZINC001169591449 1000060175 /nfs/dbraw/zinc/06/01/75/1000060175.db2.gz JRWXAPSZIKSFPY-UHFFFAOYSA-N 2 1 353.426 2.521 20 5 FFBDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501264 1000268933 /nfs/dbraw/zinc/26/89/33/1000268933.db2.gz HTUWXCSYZJYUMM-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501264 1000268938 /nfs/dbraw/zinc/26/89/38/1000268938.db2.gz HTUWXCSYZJYUMM-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501264 1000268941 /nfs/dbraw/zinc/26/89/41/1000268941.db2.gz HTUWXCSYZJYUMM-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501264 1000268945 /nfs/dbraw/zinc/26/89/45/1000268945.db2.gz HTUWXCSYZJYUMM-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920329 1012637230 /nfs/dbraw/zinc/63/72/30/1012637230.db2.gz CTFQDUONBQXZMU-SLGAXEFGSA-N 2 1 374.485 2.633 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920329 1012637240 /nfs/dbraw/zinc/63/72/40/1012637240.db2.gz CTFQDUONBQXZMU-SLGAXEFGSA-N 2 1 374.485 2.633 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433699 1020463367 /nfs/dbraw/zinc/46/33/67/1020463367.db2.gz FKXZWEJUYCRKSA-AEGPPILISA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433699 1020463370 /nfs/dbraw/zinc/46/33/70/1020463370.db2.gz FKXZWEJUYCRKSA-AEGPPILISA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433699 1020463373 /nfs/dbraw/zinc/46/33/73/1020463373.db2.gz FKXZWEJUYCRKSA-AEGPPILISA-N 2 1 357.414 2.589 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433699 1020463379 /nfs/dbraw/zinc/46/33/79/1020463379.db2.gz FKXZWEJUYCRKSA-AEGPPILISA-N 2 1 357.414 2.589 20 5 FFBDMP Cc1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953201 1021162517 /nfs/dbraw/zinc/16/25/17/1021162517.db2.gz CHDXOOUROUXTIU-UHFFFAOYSA-N 2 1 360.462 2.658 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474331 1030751134 /nfs/dbraw/zinc/75/11/34/1030751134.db2.gz NVKQSYULAPZNMB-CXAGYDPISA-N 2 1 364.421 2.527 20 5 FFBDMP Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001219211117 1033556095 /nfs/dbraw/zinc/55/60/95/1033556095.db2.gz WFKSWCOMZDQJRI-UHFFFAOYSA-N 2 1 365.481 2.639 20 5 FFBDMP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085211 1038371325 /nfs/dbraw/zinc/37/13/25/1038371325.db2.gz LSIBMBZDGGGKCU-HNNXBMFYSA-N 2 1 362.474 2.504 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3CN(Cc4cccnc4)C[C@H]3C1)C2 ZINC001254599385 1040830293 /nfs/dbraw/zinc/83/02/93/1040830293.db2.gz YNFPGGMGPPABAK-SVFBPWRDSA-N 2 1 364.449 2.521 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596961 250040013 /nfs/dbraw/zinc/04/00/13/250040013.db2.gz KNYSWFLPHZPVQU-INIZCTEOSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596961 250040017 /nfs/dbraw/zinc/04/00/17/250040017.db2.gz KNYSWFLPHZPVQU-INIZCTEOSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470367 252045749 /nfs/dbraw/zinc/04/57/49/252045749.db2.gz AEZATNVNKGTGLS-GOSISDBHSA-N 2 1 357.458 2.739 20 5 FFBDMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000331412653 258185245 /nfs/dbraw/zinc/18/52/45/258185245.db2.gz PTFZBCPLCPMRFC-UHFFFAOYSA-N 2 1 360.458 2.874 20 5 FFBDMP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066962068 506712822 /nfs/dbraw/zinc/71/28/22/506712822.db2.gz WCNSGAHXSFYODC-UHFFFAOYSA-N 2 1 374.485 2.548 20 5 FFBDMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066962068 506712830 /nfs/dbraw/zinc/71/28/30/506712830.db2.gz WCNSGAHXSFYODC-UHFFFAOYSA-N 2 1 374.485 2.548 20 5 FFBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631140 508199236 /nfs/dbraw/zinc/19/92/36/508199236.db2.gz XQIJFZQYUGZUNY-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631140 508199240 /nfs/dbraw/zinc/19/92/40/508199240.db2.gz XQIJFZQYUGZUNY-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631140 508199243 /nfs/dbraw/zinc/19/92/43/508199243.db2.gz XQIJFZQYUGZUNY-INIZCTEOSA-N 2 1 360.458 2.587 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000128252771 508568203 /nfs/dbraw/zinc/56/82/03/508568203.db2.gz HZGQSVCKEJWKHL-IBGZPJMESA-N 2 1 360.502 2.533 20 5 FFBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000249286378 509646913 /nfs/dbraw/zinc/64/69/13/509646913.db2.gz LREYSRGJQDMBAE-MNZLEMJZSA-N 2 1 357.458 2.538 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000268962969 510163521 /nfs/dbraw/zinc/16/35/21/510163521.db2.gz XTKZXXZCQCZLRP-OALUTQOASA-N 2 1 361.486 2.742 20 5 FFBDMP COc1ccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266534653 510643140 /nfs/dbraw/zinc/64/31/40/510643140.db2.gz NRRBBEQUCAQNEJ-UHFFFAOYSA-N 2 1 351.447 2.787 20 5 FFBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457607 510986051 /nfs/dbraw/zinc/98/60/51/510986051.db2.gz JJKOKQILDROOIW-GOSISDBHSA-N 2 1 357.458 2.682 20 5 FFBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457607 510986055 /nfs/dbraw/zinc/98/60/55/510986055.db2.gz JJKOKQILDROOIW-GOSISDBHSA-N 2 1 357.458 2.682 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386026 514119370 /nfs/dbraw/zinc/11/93/70/514119370.db2.gz UILVMZZKRCRUEF-NVXWUHKLSA-N 2 1 353.850 2.967 20 5 FFBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589196694 518946965 /nfs/dbraw/zinc/94/69/65/518946965.db2.gz UARMADJTFWQHRK-KRWDZBQOSA-N 2 1 352.454 2.582 20 5 FFBDMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836182 520139613 /nfs/dbraw/zinc/13/96/13/520139613.db2.gz NDFQMCOSAKMQIW-SJLPKXTDSA-N 2 1 355.442 2.712 20 5 FFBDMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836182 520139621 /nfs/dbraw/zinc/13/96/21/520139621.db2.gz NDFQMCOSAKMQIW-SJLPKXTDSA-N 2 1 355.442 2.712 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594975856 520237522 /nfs/dbraw/zinc/23/75/22/520237522.db2.gz VZOQVDXGURLHRT-GOSISDBHSA-N 2 1 359.401 2.590 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594975856 520237532 /nfs/dbraw/zinc/23/75/32/520237532.db2.gz VZOQVDXGURLHRT-GOSISDBHSA-N 2 1 359.401 2.590 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492579 520417050 /nfs/dbraw/zinc/41/70/50/520417050.db2.gz AXYQFCXKWFQABD-OWCLPIDISA-N 2 1 360.458 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000601174217 520671831 /nfs/dbraw/zinc/67/18/31/520671831.db2.gz RTSSLJIPVWVZTL-UHFFFAOYSA-N 2 1 356.426 2.834 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000601174217 520671837 /nfs/dbraw/zinc/67/18/37/520671837.db2.gz RTSSLJIPVWVZTL-UHFFFAOYSA-N 2 1 356.426 2.834 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900233 520805958 /nfs/dbraw/zinc/80/59/58/520805958.db2.gz BSEHLUNWTJGORF-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000595900848 520806968 /nfs/dbraw/zinc/80/69/68/520806968.db2.gz NFRRBLWOTKJFBV-MRXNPFEDSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCC[NH3+] ZINC000595904218 520811881 /nfs/dbraw/zinc/81/18/81/520811881.db2.gz ATPCRGUKTPACFB-CZUORRHYSA-N 2 1 359.430 2.984 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820828257 742556296 /nfs/dbraw/zinc/55/62/96/742556296.db2.gz VYELAZKMWXZWOS-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820828257 742556299 /nfs/dbraw/zinc/55/62/99/742556299.db2.gz VYELAZKMWXZWOS-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP [NH3+]CCCOC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843056205 747757624 /nfs/dbraw/zinc/75/76/24/747757624.db2.gz DZHSOXMADDWOLM-UHFFFAOYSA-N 2 1 372.263 2.687 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387599 747822271 /nfs/dbraw/zinc/82/22/71/747822271.db2.gz UKZGEFJEDRMURA-UPJWGTAASA-N 2 1 366.849 2.507 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387599 747822275 /nfs/dbraw/zinc/82/22/75/747822275.db2.gz UKZGEFJEDRMURA-UPJWGTAASA-N 2 1 366.849 2.507 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903118 748132624 /nfs/dbraw/zinc/13/26/24/748132624.db2.gz SRMUBSFWYXBIAS-CKEIUWERSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496420 1014600473 /nfs/dbraw/zinc/60/04/73/1014600473.db2.gz SGUCWOKIOXIVLM-QLOJAFMTSA-N 2 1 369.469 2.997 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765755278 985462009 /nfs/dbraw/zinc/46/20/09/985462009.db2.gz RQEVDRYOXNRNTR-OAHLLOKOSA-N 2 1 357.458 2.994 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903959476 1016333003 /nfs/dbraw/zinc/33/30/03/1016333003.db2.gz IQVZTBXVHQJGKG-HXUWFJFHSA-N 2 1 369.469 2.961 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819275536 1008097824 /nfs/dbraw/zinc/09/78/24/1008097824.db2.gz WVMUDIRSGWFRGN-XLIONFOSSA-N 2 1 355.438 2.740 20 5 FFBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001181125585 1009984689 /nfs/dbraw/zinc/98/46/89/1009984689.db2.gz QKDLKICVRWXMIO-UZLBHIALSA-N 2 1 361.486 2.552 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1F ZINC001173188214 1012330232 /nfs/dbraw/zinc/33/02/32/1012330232.db2.gz JEPRNHXMDZIIHD-LBPRGKRZSA-N 2 1 351.422 2.890 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CCC3(CC2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC001156575818 1029253893 /nfs/dbraw/zinc/25/38/93/1029253893.db2.gz QVMDBCXZOBDPFF-RUDMXATFSA-N 2 1 359.474 2.834 20 5 FFBDMP O=C(NCCC[NH2+][C@H]1CCC[NH2+]C1)c1c2ccccc2nc2ccccc21 ZINC001246482675 1039365710 /nfs/dbraw/zinc/36/57/10/1039365710.db2.gz HXXJZRFJXXTHDD-INIZCTEOSA-N 2 1 362.477 2.850 20 5 FFBDMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246551826 1039393019 /nfs/dbraw/zinc/39/30/19/1039393019.db2.gz RNBDLHGHBPKIRH-GOSISDBHSA-N 2 1 350.438 2.717 20 5 FFBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879258 1039515386 /nfs/dbraw/zinc/51/53/86/1039515386.db2.gz NVMNJJJHBNLINN-SCWSEQNSSA-N 2 1 351.450 2.999 20 5 FFBDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC001247665285 1039873917 /nfs/dbraw/zinc/87/39/17/1039873917.db2.gz GRZBAUBBPMITMF-INIZCTEOSA-N 2 1 367.409 2.949 20 5 FFBDMP Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159750 258091566 /nfs/dbraw/zinc/09/15/66/258091566.db2.gz JOXUKHJWXZTNTO-UHFFFAOYSA-N 2 1 357.458 2.889 20 5 FFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803518 507855518 /nfs/dbraw/zinc/85/55/18/507855518.db2.gz GBSYUKNNWJSSIG-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569868 508191628 /nfs/dbraw/zinc/19/16/28/508191628.db2.gz AXRHQBUURLCIJU-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569868 508191629 /nfs/dbraw/zinc/19/16/29/508191629.db2.gz AXRHQBUURLCIJU-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569868 508191631 /nfs/dbraw/zinc/19/16/31/508191631.db2.gz AXRHQBUURLCIJU-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285428160 510902794 /nfs/dbraw/zinc/90/27/94/510902794.db2.gz HHYJMMLNHYCFEF-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285428160 510902802 /nfs/dbraw/zinc/90/28/02/510902802.db2.gz HHYJMMLNHYCFEF-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285428160 510902809 /nfs/dbraw/zinc/90/28/09/510902809.db2.gz HHYJMMLNHYCFEF-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285566306 510958785 /nfs/dbraw/zinc/95/87/85/510958785.db2.gz RYLBOOWCZPPJST-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285566306 510958788 /nfs/dbraw/zinc/95/87/88/510958788.db2.gz RYLBOOWCZPPJST-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285566306 510958790 /nfs/dbraw/zinc/95/87/90/510958790.db2.gz RYLBOOWCZPPJST-FKEKPDDDSA-N 2 1 360.458 2.789 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292212270 511507908 /nfs/dbraw/zinc/50/79/08/511507908.db2.gz UESHDRGNVAKQTG-FZKQIMNGSA-N 2 1 357.414 2.733 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284216434 511646872 /nfs/dbraw/zinc/64/68/72/511646872.db2.gz TUDLWNLDNCTKQN-DAYGRLMNSA-N 2 1 364.490 2.965 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284216434 511646880 /nfs/dbraw/zinc/64/68/80/511646880.db2.gz TUDLWNLDNCTKQN-DAYGRLMNSA-N 2 1 364.490 2.965 20 5 FFBDMP CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372605513 512966451 /nfs/dbraw/zinc/96/64/51/512966451.db2.gz ICKJFMIJTMAJIZ-INIZCTEOSA-N 2 1 369.469 2.748 20 5 FFBDMP CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372605513 512966453 /nfs/dbraw/zinc/96/64/53/512966453.db2.gz ICKJFMIJTMAJIZ-INIZCTEOSA-N 2 1 369.469 2.748 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420386757 514122911 /nfs/dbraw/zinc/12/29/11/514122911.db2.gz VOSVCFBYWYZIES-IBGZPJMESA-N 2 1 356.426 2.868 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789546 515968089 /nfs/dbraw/zinc/96/80/89/515968089.db2.gz YUHBGXAFAWJMQL-NVXWUHKLSA-N 2 1 365.474 2.830 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789546 515968097 /nfs/dbraw/zinc/96/80/97/515968097.db2.gz YUHBGXAFAWJMQL-NVXWUHKLSA-N 2 1 365.474 2.830 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000470185051 516167854 /nfs/dbraw/zinc/16/78/54/516167854.db2.gz YAZIRTAWPYTXLS-VDKPFWJGSA-N 2 1 372.513 2.956 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000470185051 516167861 /nfs/dbraw/zinc/16/78/61/516167861.db2.gz YAZIRTAWPYTXLS-VDKPFWJGSA-N 2 1 372.513 2.956 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000594503819 520006547 /nfs/dbraw/zinc/00/65/47/520006547.db2.gz BRODSGLIPRUWSX-YLJYHZDGSA-N 2 1 367.449 2.939 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000594736108 520124009 /nfs/dbraw/zinc/12/40/09/520124009.db2.gz PWXIAYJONSUZOB-OAHLLOKOSA-N 2 1 361.442 2.578 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493521 520416115 /nfs/dbraw/zinc/41/61/15/520416115.db2.gz UBORCMQXIKAKSB-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP CN(c1ccccc1)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600772571 520459759 /nfs/dbraw/zinc/45/97/59/520459759.db2.gz FENDYTOPGFVUGI-UHFFFAOYSA-N 2 1 370.453 2.960 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900785 520808596 /nfs/dbraw/zinc/80/85/96/520808596.db2.gz LFQWOIBPDUZOLK-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602824049 521553326 /nfs/dbraw/zinc/55/33/26/521553326.db2.gz LITNZQAQVKWTKF-GOSISDBHSA-N 2 1 371.485 2.990 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602824049 521553332 /nfs/dbraw/zinc/55/33/32/521553332.db2.gz LITNZQAQVKWTKF-GOSISDBHSA-N 2 1 371.485 2.990 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844313 521566140 /nfs/dbraw/zinc/56/61/40/521566140.db2.gz AECPETVFUXHDHK-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844313 521566150 /nfs/dbraw/zinc/56/61/50/521566150.db2.gz AECPETVFUXHDHK-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237912277 991392992 /nfs/dbraw/zinc/39/29/92/991392992.db2.gz PLAGOOKZYOMWPA-UHFFFAOYSA-N 2 1 357.458 2.961 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870250 1008907277 /nfs/dbraw/zinc/90/72/77/1008907277.db2.gz UAXKTOJUHKUTOU-LJQANCHMSA-N 2 1 360.458 2.697 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000865440127 1010786821 /nfs/dbraw/zinc/78/68/21/1010786821.db2.gz JEXMRHQFJJSNQS-INIZCTEOSA-N 2 1 356.426 2.620 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000749647561 1021017294 /nfs/dbraw/zinc/01/72/94/1021017294.db2.gz NWGNFVWEEYHAGB-FQEVSTJZSA-N 2 1 355.438 2.882 20 5 FFBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncc1[N+](=O)[O-] ZINC001163274536 1028866013 /nfs/dbraw/zinc/86/60/13/1028866013.db2.gz VOMALVXZAVSDBM-OZSKJFCKSA-N 2 1 353.426 2.649 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363261 1031356264 /nfs/dbraw/zinc/35/62/64/1031356264.db2.gz UVFASRNUZDALMQ-CZUORRHYSA-N 2 1 364.421 2.527 20 5 FFBDMP [NH3+]C[C@H]1CCCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246583756 1039406477 /nfs/dbraw/zinc/40/64/77/1039406477.db2.gz RWCITXMNXPMZJL-CYBMUJFWSA-N 2 1 368.428 2.903 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352760001 1055772236 /nfs/dbraw/zinc/77/22/36/1055772236.db2.gz IDWDROPODDXYGD-XHSDSOJGSA-N 2 1 357.458 2.873 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332376380 258227599 /nfs/dbraw/zinc/22/75/99/258227599.db2.gz DMYHZUNTEYFCHK-FUHIMQAGSA-N 2 1 360.502 2.922 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332376380 258227600 /nfs/dbraw/zinc/22/76/00/258227600.db2.gz DMYHZUNTEYFCHK-FUHIMQAGSA-N 2 1 360.502 2.922 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332376378 258227706 /nfs/dbraw/zinc/22/77/06/258227706.db2.gz DMYHZUNTEYFCHK-ABSDTBQOSA-N 2 1 360.502 2.922 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332376378 258227707 /nfs/dbraw/zinc/22/77/07/258227707.db2.gz DMYHZUNTEYFCHK-ABSDTBQOSA-N 2 1 360.502 2.922 20 5 FFBDMP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000153619952 508609674 /nfs/dbraw/zinc/60/96/74/508609674.db2.gz WCULJKIRRVOEFU-MRXNPFEDSA-N 2 1 364.490 2.672 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058647 508918861 /nfs/dbraw/zinc/91/88/61/508918861.db2.gz ZTBSXGKZNGLNPN-HDICACEKSA-N 2 1 360.502 2.628 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058647 508918863 /nfs/dbraw/zinc/91/88/63/508918863.db2.gz ZTBSXGKZNGLNPN-HDICACEKSA-N 2 1 360.502 2.628 20 5 FFBDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192828473 509662226 /nfs/dbraw/zinc/66/22/26/509662226.db2.gz HVDVBSMJPQCSPF-FQEVSTJZSA-N 2 1 360.502 2.835 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667529 511903727 /nfs/dbraw/zinc/90/37/27/511903727.db2.gz RPADCHPPUMGIPO-DNVCBOLYSA-N 2 1 370.453 2.665 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449160997 514098357 /nfs/dbraw/zinc/09/83/57/514098357.db2.gz DAERGSDXZAVCST-UWJYYQICSA-N 2 1 369.465 2.752 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160997 514098360 /nfs/dbraw/zinc/09/83/60/514098360.db2.gz DAERGSDXZAVCST-UWJYYQICSA-N 2 1 369.465 2.752 20 5 FFBDMP C[C@H]([NH3+])CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000566303558 519423934 /nfs/dbraw/zinc/42/39/34/519423934.db2.gz CGUCRMJMHLASNI-AWEZNQCLSA-N 2 1 360.483 2.788 20 5 FFBDMP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430720 520262282 /nfs/dbraw/zinc/26/22/82/520262282.db2.gz UNWHSWCAZYANGC-AEFFLSMTSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430720 520262287 /nfs/dbraw/zinc/26/22/87/520262287.db2.gz UNWHSWCAZYANGC-AEFFLSMTSA-N 2 1 357.458 2.500 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493945 520416261 /nfs/dbraw/zinc/41/62/61/520416261.db2.gz WWLSEFSGXPFWDB-DLBZAZTESA-N 2 1 374.485 2.943 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505872 520517680 /nfs/dbraw/zinc/51/76/80/520517680.db2.gz ZQWBRMRLMOWWPA-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505872 520517687 /nfs/dbraw/zinc/51/76/87/520517687.db2.gz ZQWBRMRLMOWWPA-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505872 520517692 /nfs/dbraw/zinc/51/76/92/520517692.db2.gz ZQWBRMRLMOWWPA-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900230 520804492 /nfs/dbraw/zinc/80/44/92/520804492.db2.gz BSEHLUNWTJGORF-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593315999 520903114 /nfs/dbraw/zinc/90/31/14/520903114.db2.gz OKTRDCMNEGDRMU-CKEIUWERSA-N 2 1 353.850 2.967 20 5 FFBDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602516431 521389998 /nfs/dbraw/zinc/38/99/98/521389998.db2.gz LKQGSSIEDMVCMJ-UHFFFAOYSA-N 2 1 370.409 2.966 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000602807679 521543784 /nfs/dbraw/zinc/54/37/84/521543784.db2.gz ZSZXVEHYJRIHJT-CYBMUJFWSA-N 2 1 354.414 2.945 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099337 747269034 /nfs/dbraw/zinc/26/90/34/747269034.db2.gz IFYNBNKSDRSIGC-SJORKVTESA-N 2 1 353.850 2.967 20 5 FFBDMP C[N@H+]1CCc2c(-n3cc(CC[NH3+])c4cc(O)ccc43)ccc([N+](=O)[O-])c2C1 ZINC001167988445 966081136 /nfs/dbraw/zinc/08/11/36/966081136.db2.gz YCMXDHFQWBMKAY-UHFFFAOYSA-N 2 1 366.421 2.733 20 5 FFBDMP C[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001181125570 1009985479 /nfs/dbraw/zinc/98/54/79/1009985479.db2.gz QKDLKICVRWXMIO-OXJNMPFZSA-N 2 1 361.486 2.552 20 5 FFBDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012374 1012184381 /nfs/dbraw/zinc/18/43/81/1012184381.db2.gz RNNFSJQURIHOGC-ZDUSSCGKSA-N 2 1 368.428 2.773 20 5 FFBDMP COc1cc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000931431307 1020462219 /nfs/dbraw/zinc/46/22/19/1020462219.db2.gz KPDCNXQBZVNPEP-WCQYABFASA-N 2 1 371.384 2.588 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+]C[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156109727 1029051481 /nfs/dbraw/zinc/05/14/81/1029051481.db2.gz DVAFATSTSCXOOM-KEDPEKRHSA-N 2 1 359.455 2.735 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165321878 1029944594 /nfs/dbraw/zinc/94/45/94/1029944594.db2.gz ALPUDUIAFLCWJO-FWVUHSSSSA-N 2 1 359.474 2.881 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001204790607 1031441756 /nfs/dbraw/zinc/44/17/56/1031441756.db2.gz OEJHRMIPYLKKFU-OAQYLSRUSA-N 2 1 373.497 2.962 20 5 FFBDMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485966 1039368875 /nfs/dbraw/zinc/36/88/75/1039368875.db2.gz XDMIQLRENUWDEE-HZPDHXFCSA-N 2 1 362.477 2.848 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCCC[C@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246593811 1039409217 /nfs/dbraw/zinc/40/92/17/1039409217.db2.gz NZQJDGWOWFCWTK-OAHLLOKOSA-N 2 1 362.474 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)CC2 ZINC001246658073 1039430227 /nfs/dbraw/zinc/43/02/27/1039430227.db2.gz TWNSOUIXOLSGLV-ZOBUZTSGSA-N 2 1 369.387 2.926 20 5 FFBDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308037552 1052390223 /nfs/dbraw/zinc/39/02/23/1052390223.db2.gz CPZTZRDLEWSJTC-UHFFFAOYSA-N 2 1 374.485 2.682 20 5 FFBDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308037552 1052390229 /nfs/dbraw/zinc/39/02/29/1052390229.db2.gz CPZTZRDLEWSJTC-UHFFFAOYSA-N 2 1 374.485 2.682 20 5 FFBDMP CN1CC[NH+](CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000289376609 257277410 /nfs/dbraw/zinc/27/74/10/257277410.db2.gz BVTIILCYWBSKFJ-UHFFFAOYSA-N 2 1 366.893 2.708 20 5 FFBDMP Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302512899 258104939 /nfs/dbraw/zinc/10/49/39/258104939.db2.gz TZMZQNRNCAMXAU-CQSZACIVSA-N 2 1 358.442 2.733 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123159431 508645178 /nfs/dbraw/zinc/64/51/78/508645178.db2.gz FGHIJJLETKHZJE-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130111547 508796118 /nfs/dbraw/zinc/79/61/18/508796118.db2.gz YSILAMZJZXBKFV-UYAOXDASSA-N 2 1 374.529 2.923 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000246571789 510562804 /nfs/dbraw/zinc/56/28/04/510562804.db2.gz BQPBFFUWVFHFRU-CABCVRRESA-N 2 1 371.441 2.610 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274839751 511960069 /nfs/dbraw/zinc/96/00/69/511960069.db2.gz LTVBUGPOCDQLMQ-LPHOPBHVSA-N 2 1 365.474 2.700 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000424301147 514450009 /nfs/dbraw/zinc/45/00/09/514450009.db2.gz XFBNDNILJVYXII-CQSZACIVSA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000491237387 515400793 /nfs/dbraw/zinc/40/07/93/515400793.db2.gz CMBZVIUWDPBAAC-UHFFFAOYSA-N 2 1 351.422 2.668 20 5 FFBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169872 516158297 /nfs/dbraw/zinc/15/82/97/516158297.db2.gz LFPLDUYDOIDYMO-XMJIKXADSA-N 2 1 358.486 2.710 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538421 517024244 /nfs/dbraw/zinc/02/42/44/517024244.db2.gz VHWXODBOOBOQNI-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538421 517024254 /nfs/dbraw/zinc/02/42/54/517024254.db2.gz VHWXODBOOBOQNI-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538421 517024263 /nfs/dbraw/zinc/02/42/63/517024263.db2.gz VHWXODBOOBOQNI-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681530 519609206 /nfs/dbraw/zinc/60/92/06/519609206.db2.gz IISCPLDTHITDOV-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681530 519609210 /nfs/dbraw/zinc/60/92/10/519609210.db2.gz IISCPLDTHITDOV-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681530 519609213 /nfs/dbraw/zinc/60/92/13/519609213.db2.gz IISCPLDTHITDOV-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681530 519609218 /nfs/dbraw/zinc/60/92/18/519609218.db2.gz IISCPLDTHITDOV-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000600776265 520463253 /nfs/dbraw/zinc/46/32/53/520463253.db2.gz QQITYNKVTKQQSM-UHFFFAOYSA-N 2 1 363.389 2.933 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1[N+](=O)[O-] ZINC000610573456 520744869 /nfs/dbraw/zinc/74/48/69/520744869.db2.gz AEYFJONAAICSMW-UHFFFAOYSA-N 2 1 361.490 2.622 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900608 520806237 /nfs/dbraw/zinc/80/62/37/520806237.db2.gz IEADAWXVCBULGL-KRWDZBQOSA-N 2 1 374.485 2.943 20 5 FFBDMP COc1ccc(-c2ccc(C[NH2+]CCc3c[nH+]cn3C)o2)c([N+](=O)[O-])c1 ZINC000598918257 520917119 /nfs/dbraw/zinc/91/71/19/520917119.db2.gz WBHFSOMUSPHQQI-UHFFFAOYSA-N 2 1 356.382 2.929 20 5 FFBDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033167 731722574 /nfs/dbraw/zinc/72/25/74/731722574.db2.gz GBCFAITUKKPVFG-AWEZNQCLSA-N 2 1 352.454 2.658 20 5 FFBDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832761069 745750911 /nfs/dbraw/zinc/75/09/11/745750911.db2.gz HMMNJOPLCCTKIU-UHFFFAOYSA-N 2 1 352.410 2.527 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000922390384 988545058 /nfs/dbraw/zinc/54/50/58/988545058.db2.gz ZDTFRCAAAHSGFQ-GPBTULNPSA-N 2 1 359.470 2.677 20 5 FFBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887132837 1009044808 /nfs/dbraw/zinc/04/48/08/1009044808.db2.gz OJEVFCLYYIPRDR-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000121630804 1009103740 /nfs/dbraw/zinc/10/37/40/1009103740.db2.gz QOMKISABKAWHPP-HNNXBMFYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cn1ccnc1C[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180732029 1009830718 /nfs/dbraw/zinc/83/07/18/1009830718.db2.gz ISJXMIAAYHMALW-UHFFFAOYSA-N 2 1 371.485 2.715 20 5 FFBDMP Cn1ccnc1C[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180732029 1009830734 /nfs/dbraw/zinc/83/07/34/1009830734.db2.gz ISJXMIAAYHMALW-UHFFFAOYSA-N 2 1 371.485 2.715 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000866261015 1010964765 /nfs/dbraw/zinc/96/47/65/1010964765.db2.gz MTGXSOWIQOEPEF-HNNXBMFYSA-N 2 1 365.449 2.900 20 5 FFBDMP C[NH+](C)CCC[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014626 1012187229 /nfs/dbraw/zinc/18/72/29/1012187229.db2.gz VFGSGESPVVMKFH-UHFFFAOYSA-N 2 1 356.417 2.725 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474333 1030750445 /nfs/dbraw/zinc/75/04/45/1030750445.db2.gz NVKQSYULAPZNMB-GUYCJALGSA-N 2 1 364.421 2.527 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001204790606 1031441389 /nfs/dbraw/zinc/44/13/89/1031441389.db2.gz OEJHRMIPYLKKFU-NRFANRHFSA-N 2 1 373.497 2.962 20 5 FFBDMP O=C(NCCC[NH2+][C@@H]1CCC[NH2+]C1)c1c2ccccc2nc2ccccc21 ZINC001246482676 1039365326 /nfs/dbraw/zinc/36/53/26/1039365326.db2.gz HXXJZRFJXXTHDD-MRXNPFEDSA-N 2 1 362.477 2.850 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCC[C@@](C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246548282 1039392514 /nfs/dbraw/zinc/39/25/14/1039392514.db2.gz FKNDLWGOFUHTKD-LJQANCHMSA-N 2 1 362.474 2.776 20 5 FFBDMP COc1cc(N2CCC([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648973 1039425864 /nfs/dbraw/zinc/42/58/64/1039425864.db2.gz NVNACSPGQFUDNE-FQEVSTJZSA-N 2 1 374.485 2.790 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648973 1039425872 /nfs/dbraw/zinc/42/58/72/1039425872.db2.gz NVNACSPGQFUDNE-FQEVSTJZSA-N 2 1 374.485 2.790 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001254546333 1040791060 /nfs/dbraw/zinc/79/10/60/1040791060.db2.gz RKOHBNCKCKKWLQ-INIZCTEOSA-N 2 1 354.454 2.957 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C2 ZINC001254572035 1040809201 /nfs/dbraw/zinc/80/92/01/1040809201.db2.gz GRAJDOJIILNKPS-HXUWFJFHSA-N 2 1 367.449 2.684 20 5 FFBDMP C[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)CC1(CO)CC1 ZINC001560769222 1076298245 /nfs/dbraw/zinc/29/82/45/1076298245.db2.gz VBLWRGWLTXYNSP-UHFFFAOYSA-N 2 1 361.486 2.554 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000332137633 258215645 /nfs/dbraw/zinc/21/56/45/258215645.db2.gz QBZVZWHGBULBPK-UHFFFAOYSA-N 2 1 364.465 2.583 20 5 FFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570823 508191459 /nfs/dbraw/zinc/19/14/59/508191459.db2.gz PTCDCWXPRKVSCW-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570823 508191462 /nfs/dbraw/zinc/19/14/62/508191462.db2.gz PTCDCWXPRKVSCW-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570823 508191465 /nfs/dbraw/zinc/19/14/65/508191465.db2.gz PTCDCWXPRKVSCW-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]21 ZINC000158661904 508736205 /nfs/dbraw/zinc/73/62/05/508736205.db2.gz SDFZJKDHEZVBTR-ZBFHGGJFSA-N 2 1 357.414 2.561 20 5 FFBDMP C[C@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176251037 509402683 /nfs/dbraw/zinc/40/26/83/509402683.db2.gz KBFZPODSEAHQJZ-WMZOPIPTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000176251037 509402689 /nfs/dbraw/zinc/40/26/89/509402689.db2.gz KBFZPODSEAHQJZ-WMZOPIPTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251037 509402695 /nfs/dbraw/zinc/40/26/95/509402695.db2.gz KBFZPODSEAHQJZ-WMZOPIPTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251037 509402700 /nfs/dbraw/zinc/40/27/00/509402700.db2.gz KBFZPODSEAHQJZ-WMZOPIPTSA-N 2 1 357.458 2.776 20 5 FFBDMP COc1ccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c([N+](=O)[O-])c1 ZINC000173960814 509877091 /nfs/dbraw/zinc/87/70/91/509877091.db2.gz PKRCKLITJPSWBS-HNNXBMFYSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c([N+](=O)[O-])c1 ZINC000173960814 509877097 /nfs/dbraw/zinc/87/70/97/509877097.db2.gz PKRCKLITJPSWBS-HNNXBMFYSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173960814 509877101 /nfs/dbraw/zinc/87/71/01/509877101.db2.gz PKRCKLITJPSWBS-HNNXBMFYSA-N 2 1 351.447 2.788 20 5 FFBDMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173960814 509877109 /nfs/dbraw/zinc/87/71/09/509877109.db2.gz PKRCKLITJPSWBS-HNNXBMFYSA-N 2 1 351.447 2.788 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436445 509934079 /nfs/dbraw/zinc/93/40/79/509934079.db2.gz QZEDUSYWWSDMSM-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436445 509934086 /nfs/dbraw/zinc/93/40/86/509934086.db2.gz QZEDUSYWWSDMSM-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436445 509934090 /nfs/dbraw/zinc/93/40/90/509934090.db2.gz QZEDUSYWWSDMSM-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475031 510510967 /nfs/dbraw/zinc/51/09/67/510510967.db2.gz GEZRZMHTPNXOPD-MAUKXSAKSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475031 510510973 /nfs/dbraw/zinc/51/09/73/510510973.db2.gz GEZRZMHTPNXOPD-MAUKXSAKSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475031 510510985 /nfs/dbraw/zinc/51/09/85/510510985.db2.gz GEZRZMHTPNXOPD-MAUKXSAKSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475031 510510994 /nfs/dbraw/zinc/51/09/94/510510994.db2.gz GEZRZMHTPNXOPD-MAUKXSAKSA-N 2 1 372.469 2.872 20 5 FFBDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295427 511672333 /nfs/dbraw/zinc/67/23/33/511672333.db2.gz YHCXFSSZAIBKEO-HNNXBMFYSA-N 2 1 370.453 2.860 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378302590 512685742 /nfs/dbraw/zinc/68/57/42/512685742.db2.gz ZYDYRSDNLBTKPZ-UHFFFAOYSA-N 2 1 369.469 2.779 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000430561264 513689313 /nfs/dbraw/zinc/68/93/13/513689313.db2.gz ZPLGRJAMVWTRBY-UHFFFAOYSA-N 2 1 360.458 2.696 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000442928602 513817520 /nfs/dbraw/zinc/81/75/20/513817520.db2.gz QCPRWDSVMUXROZ-NSHDSACASA-N 2 1 359.373 2.766 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332132 514098522 /nfs/dbraw/zinc/09/85/22/514098522.db2.gz CRFFEQWPAVGUCE-PBHICJAKSA-N 2 1 360.458 2.694 20 5 FFBDMP C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481863 514150119 /nfs/dbraw/zinc/15/01/19/514150119.db2.gz QYFDOSCQDUNVHX-KGLIPLIRSA-N 2 1 360.483 2.878 20 5 FFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044051 514413963 /nfs/dbraw/zinc/41/39/63/514413963.db2.gz ADCLVIBZQRTXLY-IVMQYODDSA-N 2 1 360.502 2.722 20 5 FFBDMP [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133804 514460286 /nfs/dbraw/zinc/46/02/86/514460286.db2.gz NQXMYVMFVHNSMO-UHFFFAOYSA-N 3 1 354.454 2.678 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468643171 515450256 /nfs/dbraw/zinc/45/02/56/515450256.db2.gz OHZACYOTRQUFAH-XCTGESOMSA-N 2 1 374.485 2.530 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468643171 515450268 /nfs/dbraw/zinc/45/02/68/515450268.db2.gz OHZACYOTRQUFAH-XCTGESOMSA-N 2 1 374.485 2.530 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734833 515778963 /nfs/dbraw/zinc/77/89/63/515778963.db2.gz OPIITLSDFBKUCH-MAUKXSAKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734833 515778974 /nfs/dbraw/zinc/77/89/74/515778974.db2.gz OPIITLSDFBKUCH-MAUKXSAKSA-N 2 1 357.458 2.739 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538420 517023650 /nfs/dbraw/zinc/02/36/50/517023650.db2.gz VHWXODBOOBOQNI-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538420 517023662 /nfs/dbraw/zinc/02/36/62/517023662.db2.gz VHWXODBOOBOQNI-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538420 517023669 /nfs/dbraw/zinc/02/36/69/517023669.db2.gz VHWXODBOOBOQNI-HNNXBMFYSA-N 2 1 362.474 2.974 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959188 518714464 /nfs/dbraw/zinc/71/44/64/518714464.db2.gz OPJXLOALBWKEQS-KRWDZBQOSA-N 2 1 355.442 2.578 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959188 518714469 /nfs/dbraw/zinc/71/44/69/518714469.db2.gz OPJXLOALBWKEQS-KRWDZBQOSA-N 2 1 355.442 2.578 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229731 519381242 /nfs/dbraw/zinc/38/12/42/519381242.db2.gz MLIHAHPWISUXSB-DLBZAZTESA-N 2 1 369.469 2.817 20 5 FFBDMP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620096 519581708 /nfs/dbraw/zinc/58/17/08/519581708.db2.gz MCQSNKSMSPQZFR-ZJUUUORDSA-N 2 1 365.352 2.760 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493033 520416784 /nfs/dbraw/zinc/41/67/84/520416784.db2.gz MUNIEVNUEFMLNL-BZUAXINKSA-N 2 1 360.458 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013958 521603239 /nfs/dbraw/zinc/60/32/39/521603239.db2.gz JQJYVRRNTPINSZ-TZIWHRDSSA-N 2 1 369.465 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013958 521603243 /nfs/dbraw/zinc/60/32/43/521603243.db2.gz JQJYVRRNTPINSZ-TZIWHRDSSA-N 2 1 369.465 2.610 20 5 FFBDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000118868297 728584832 /nfs/dbraw/zinc/58/48/32/728584832.db2.gz LCOVYFUGMABWTB-UHFFFAOYSA-N 2 1 368.865 2.850 20 5 FFBDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892937288 734625899 /nfs/dbraw/zinc/62/58/99/734625899.db2.gz DFDRSUJXATYGBO-UHFFFAOYSA-N 2 1 354.882 2.611 20 5 FFBDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641356 739267390 /nfs/dbraw/zinc/26/73/90/739267390.db2.gz DOELGMMWRJHFPS-QLFBSQMISA-N 2 1 350.463 2.717 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000841088086 747266483 /nfs/dbraw/zinc/26/64/83/747266483.db2.gz WKCVHIHPFUBXCS-UHFFFAOYSA-N 2 1 352.866 2.554 20 5 FFBDMP O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942917 960550790 /nfs/dbraw/zinc/55/07/90/960550790.db2.gz GEZRZMHTPNXOPD-QAPCUYQASA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942917 960550805 /nfs/dbraw/zinc/55/08/05/960550805.db2.gz GEZRZMHTPNXOPD-QAPCUYQASA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942917 960550818 /nfs/dbraw/zinc/55/08/18/960550818.db2.gz GEZRZMHTPNXOPD-QAPCUYQASA-N 2 1 372.469 2.872 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000151820661 986880129 /nfs/dbraw/zinc/88/01/29/986880129.db2.gz QUMCLMAZSXLKRJ-UHFFFAOYSA-N 2 1 370.457 2.619 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCC[C@@H](O)CC3)CC2)cc1 ZINC001206042657 1032121457 /nfs/dbraw/zinc/12/14/57/1032121457.db2.gz ZGURVKCHWVCKTK-HXUWFJFHSA-N 2 1 361.486 2.696 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738088088 999616362 /nfs/dbraw/zinc/61/63/62/999616362.db2.gz AQJQSCIZAGTOQJ-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738088088 999616364 /nfs/dbraw/zinc/61/63/64/999616364.db2.gz AQJQSCIZAGTOQJ-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963457 1020333127 /nfs/dbraw/zinc/33/31/27/1020333127.db2.gz LRKRULMXVJTOFP-LPHOPBHVSA-N 2 1 355.442 2.832 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000749674210 1021018563 /nfs/dbraw/zinc/01/85/63/1021018563.db2.gz VWJNYDLLTDXOGR-FQEVSTJZSA-N 2 1 355.438 2.666 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000749674210 1021018569 /nfs/dbraw/zinc/01/85/69/1021018569.db2.gz VWJNYDLLTDXOGR-FQEVSTJZSA-N 2 1 355.438 2.666 20 5 FFBDMP C[N@@H+]1CCc2c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063450 1028782567 /nfs/dbraw/zinc/78/25/67/1028782567.db2.gz IJOQQOZCZFHKBX-OAHLLOKOSA-N 2 1 369.469 2.606 20 5 FFBDMP C[N@H+]1CCc2c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063450 1028782582 /nfs/dbraw/zinc/78/25/82/1028782582.db2.gz IJOQQOZCZFHKBX-OAHLLOKOSA-N 2 1 369.469 2.606 20 5 FFBDMP COc1cc(N2CCC([NH+]3CCC([NH+](C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094129 1038378597 /nfs/dbraw/zinc/37/85/97/1038378597.db2.gz GYSDMSIAIQXCHH-UHFFFAOYSA-N 2 1 362.474 2.598 20 5 FFBDMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246551827 1039392362 /nfs/dbraw/zinc/39/23/62/1039392362.db2.gz RNBDLHGHBPKIRH-SFHVURJKSA-N 2 1 350.438 2.717 20 5 FFBDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248210547 1040174602 /nfs/dbraw/zinc/17/46/02/1040174602.db2.gz SGIIOGGOAPPDCR-KRWDZBQOSA-N 2 1 367.409 2.949 20 5 FFBDMP C[N@H+]1C[C@]23C[NH+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001473902287 1065412980 /nfs/dbraw/zinc/41/29/80/1065412980.db2.gz SDOCXJRBWCMDSU-BGYRXZFFSA-N 2 1 372.469 2.731 20 5 FFBDMP C[NH+]1C[C@]23C[N@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001473902287 1065412986 /nfs/dbraw/zinc/41/29/86/1065412986.db2.gz SDOCXJRBWCMDSU-BGYRXZFFSA-N 2 1 372.469 2.731 20 5 FFBDMP C[NH+]1C[C@]23C[N@@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001473902287 1065412993 /nfs/dbraw/zinc/41/29/93/1065412993.db2.gz SDOCXJRBWCMDSU-BGYRXZFFSA-N 2 1 372.469 2.731 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272534817 252061605 /nfs/dbraw/zinc/06/16/05/252061605.db2.gz NSJVZJFWCRNFPA-QGZVFWFLSA-N 2 1 357.458 2.739 20 5 FFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823446 507858106 /nfs/dbraw/zinc/85/81/06/507858106.db2.gz NEHAWUGAJCMTQL-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173366989 509555859 /nfs/dbraw/zinc/55/58/59/509555859.db2.gz MJVAHAVQZNCOHE-UHFFFAOYSA-N 2 1 351.447 2.788 20 5 FFBDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173366989 509555866 /nfs/dbraw/zinc/55/58/66/509555866.db2.gz MJVAHAVQZNCOHE-UHFFFAOYSA-N 2 1 351.447 2.788 20 5 FFBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245711214 510100449 /nfs/dbraw/zinc/10/04/49/510100449.db2.gz STPCRHRMIOFILM-RHSMWYFYSA-N 2 1 357.414 2.703 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897553 511763860 /nfs/dbraw/zinc/76/38/60/511763860.db2.gz ZOIJUBQXPRFAMC-LJQANCHMSA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897553 511763868 /nfs/dbraw/zinc/76/38/68/511763868.db2.gz ZOIJUBQXPRFAMC-LJQANCHMSA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897553 511763875 /nfs/dbraw/zinc/76/38/75/511763875.db2.gz ZOIJUBQXPRFAMC-LJQANCHMSA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897553 511763879 /nfs/dbraw/zinc/76/38/79/511763879.db2.gz ZOIJUBQXPRFAMC-LJQANCHMSA-N 2 1 355.442 2.523 20 5 FFBDMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448592652 513797202 /nfs/dbraw/zinc/79/72/02/513797202.db2.gz QYIASAICGXGGBL-HNNXBMFYSA-N 2 1 371.441 2.775 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000449232996 514125690 /nfs/dbraw/zinc/12/56/90/514125690.db2.gz JXTUZQNEBJLXNN-OXJNMPFZSA-N 2 1 369.465 2.882 20 5 FFBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300242 514282477 /nfs/dbraw/zinc/28/24/77/514282477.db2.gz ACJRQTGEETXVIU-APWZRJJASA-N 2 1 374.485 2.539 20 5 FFBDMP [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140314 514464840 /nfs/dbraw/zinc/46/48/40/514464840.db2.gz YQLAKRHPWZFMEU-UHFFFAOYSA-N 2 1 354.454 2.678 20 5 FFBDMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332863 515527049 /nfs/dbraw/zinc/52/70/49/515527049.db2.gz IMJYFXCZGBOOBY-CYBMUJFWSA-N 2 1 355.866 2.773 20 5 FFBDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332863 515527054 /nfs/dbraw/zinc/52/70/54/515527054.db2.gz IMJYFXCZGBOOBY-CYBMUJFWSA-N 2 1 355.866 2.773 20 5 FFBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169870 516159405 /nfs/dbraw/zinc/15/94/05/516159405.db2.gz LFPLDUYDOIDYMO-NXNYUAIASA-N 2 1 358.486 2.710 20 5 FFBDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249340 516588641 /nfs/dbraw/zinc/58/86/41/516588641.db2.gz BRKRNPUGNBSBIH-KRWDZBQOSA-N 2 1 360.483 2.735 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513820995 516768852 /nfs/dbraw/zinc/76/88/52/516768852.db2.gz ZYAQVZWZQIILKN-UHFFFAOYSA-N 2 1 363.458 2.538 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719117 518747125 /nfs/dbraw/zinc/74/71/25/518747125.db2.gz KQWJLVNWJZAHBM-IBGZPJMESA-N 2 1 355.442 2.571 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719117 518747131 /nfs/dbraw/zinc/74/71/31/518747131.db2.gz KQWJLVNWJZAHBM-IBGZPJMESA-N 2 1 355.442 2.571 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479448 520407369 /nfs/dbraw/zinc/40/73/69/520407369.db2.gz ZQFOKSJASCDSOH-DOTOQJQBSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493962 520416054 /nfs/dbraw/zinc/41/60/54/520416054.db2.gz XYYBOBQYTZPRSZ-BBWFWOEESA-N 2 1 374.485 2.942 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000600772294 520459845 /nfs/dbraw/zinc/45/98/45/520459845.db2.gz IIPSWLFCJQKNDR-MRXNPFEDSA-N 2 1 353.850 2.839 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602786545 521530670 /nfs/dbraw/zinc/53/06/70/521530670.db2.gz QZRRSDCZKGNRDX-GOSISDBHSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602786545 521530678 /nfs/dbraw/zinc/53/06/78/521530678.db2.gz QZRRSDCZKGNRDX-GOSISDBHSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602786545 521530688 /nfs/dbraw/zinc/53/06/88/521530688.db2.gz QZRRSDCZKGNRDX-GOSISDBHSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602786545 521530695 /nfs/dbraw/zinc/53/06/95/521530695.db2.gz QZRRSDCZKGNRDX-GOSISDBHSA-N 2 1 357.458 2.554 20 5 FFBDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000808453142 741226919 /nfs/dbraw/zinc/22/69/19/741226919.db2.gz XHMQYKUOCJMTAG-UHFFFAOYSA-N 2 1 359.455 2.927 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000811500656 995169425 /nfs/dbraw/zinc/16/94/25/995169425.db2.gz JWHMPEHEIHGGEL-UHFFFAOYSA-N 2 1 361.442 2.689 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000776277109 1005336899 /nfs/dbraw/zinc/33/68/99/1005336899.db2.gz NRNHFKJVVDFODY-HXUWFJFHSA-N 2 1 355.438 2.666 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000776277109 1005336902 /nfs/dbraw/zinc/33/69/02/1005336902.db2.gz NRNHFKJVVDFODY-HXUWFJFHSA-N 2 1 355.438 2.666 20 5 FFBDMP CCN1CCC([N@H+]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000817285762 1007507765 /nfs/dbraw/zinc/50/77/65/1007507765.db2.gz NQKWTQZAOLRYMR-UHFFFAOYSA-N 2 1 364.465 2.726 20 5 FFBDMP C[C@H](O)C[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001206489655 1032309916 /nfs/dbraw/zinc/30/99/16/1032309916.db2.gz FEYXJGFKQAVMJB-INIZCTEOSA-N 2 1 361.486 2.695 20 5 FFBDMP Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130429085 1009336146 /nfs/dbraw/zinc/33/61/46/1009336146.db2.gz OHLNCPKOWRMSST-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130429085 1009336158 /nfs/dbraw/zinc/33/61/58/1009336158.db2.gz OHLNCPKOWRMSST-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130429085 1009336171 /nfs/dbraw/zinc/33/61/71/1009336171.db2.gz OHLNCPKOWRMSST-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000865440128 1010786932 /nfs/dbraw/zinc/78/69/32/1010786932.db2.gz JEXMRHQFJJSNQS-MRXNPFEDSA-N 2 1 356.426 2.620 20 5 FFBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910828 1012122567 /nfs/dbraw/zinc/12/25/67/1012122567.db2.gz OPAPHFQLCGMYNC-HLAWJBBLSA-N 2 1 372.513 2.552 20 5 FFBDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009129 1012177253 /nfs/dbraw/zinc/17/72/53/1012177253.db2.gz SECLMNOHGAPOQF-CQSZACIVSA-N 2 1 368.428 2.916 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920330 1012636381 /nfs/dbraw/zinc/63/63/81/1012636381.db2.gz CTFQDUONBQXZMU-ZDUSMZPESA-N 2 1 374.485 2.633 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920330 1012636391 /nfs/dbraw/zinc/63/63/91/1012636391.db2.gz CTFQDUONBQXZMU-ZDUSMZPESA-N 2 1 374.485 2.633 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1NCc1ccc(C[NH+]3CCOCC3)cc1)C[NH2+]C2 ZINC001165384547 1029964005 /nfs/dbraw/zinc/96/40/05/1029964005.db2.gz MFFGTCJCCFSMQM-UHFFFAOYSA-N 2 1 368.437 2.642 20 5 FFBDMP Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229898166 1036968210 /nfs/dbraw/zinc/96/82/10/1036968210.db2.gz UGSBBTBIGUINGN-MRXNPFEDSA-N 2 1 355.506 2.817 20 5 FFBDMP Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229898166 1036968226 /nfs/dbraw/zinc/96/82/26/1036968226.db2.gz UGSBBTBIGUINGN-MRXNPFEDSA-N 2 1 355.506 2.817 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094098 1038380665 /nfs/dbraw/zinc/38/06/65/1038380665.db2.gz GLKVUSRFMHFCRX-RHSMWYFYSA-N 2 1 362.474 2.502 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094098 1038380673 /nfs/dbraw/zinc/38/06/73/1038380673.db2.gz GLKVUSRFMHFCRX-RHSMWYFYSA-N 2 1 362.474 2.502 20 5 FFBDMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246323295 1039313791 /nfs/dbraw/zinc/31/37/91/1039313791.db2.gz AFJVVZSKEVJZQD-MRXNPFEDSA-N 2 1 368.428 2.820 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001246561247 1039399818 /nfs/dbraw/zinc/39/98/18/1039399818.db2.gz JPOMULALJUZDSG-RDBSUJKOSA-N 2 1 353.438 2.980 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633198 1039422721 /nfs/dbraw/zinc/42/27/21/1039422721.db2.gz FBRQXYUKSPNGEI-AZUAARDMSA-N 2 1 359.470 2.544 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001254546334 1040790253 /nfs/dbraw/zinc/79/02/53/1040790253.db2.gz RKOHBNCKCKKWLQ-MRXNPFEDSA-N 2 1 354.454 2.957 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482750 1060122110 /nfs/dbraw/zinc/12/21/10/1060122110.db2.gz RTQUYPZVUMLFCU-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482750 1060122116 /nfs/dbraw/zinc/12/21/16/1060122116.db2.gz RTQUYPZVUMLFCU-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253380 508054723 /nfs/dbraw/zinc/05/47/23/508054723.db2.gz YIYDRPRMEWKNCA-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253380 508054725 /nfs/dbraw/zinc/05/47/25/508054725.db2.gz YIYDRPRMEWKNCA-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253380 508054727 /nfs/dbraw/zinc/05/47/27/508054727.db2.gz YIYDRPRMEWKNCA-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253380 508054729 /nfs/dbraw/zinc/05/47/29/508054729.db2.gz YIYDRPRMEWKNCA-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176251022 509403378 /nfs/dbraw/zinc/40/33/78/509403378.db2.gz KBFZPODSEAHQJZ-AEFFLSMTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000176251022 509403384 /nfs/dbraw/zinc/40/33/84/509403384.db2.gz KBFZPODSEAHQJZ-AEFFLSMTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251022 509403389 /nfs/dbraw/zinc/40/33/89/509403389.db2.gz KBFZPODSEAHQJZ-AEFFLSMTSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251022 509403394 /nfs/dbraw/zinc/40/33/94/509403394.db2.gz KBFZPODSEAHQJZ-AEFFLSMTSA-N 2 1 357.458 2.776 20 5 FFBDMP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000177177452 509921340 /nfs/dbraw/zinc/92/13/40/509921340.db2.gz UDBRHIHEYISSEG-UHFFFAOYSA-N 2 1 374.441 2.813 20 5 FFBDMP CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372605514 512966269 /nfs/dbraw/zinc/96/62/69/512966269.db2.gz ICKJFMIJTMAJIZ-MRXNPFEDSA-N 2 1 369.469 2.748 20 5 FFBDMP CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372605514 512966271 /nfs/dbraw/zinc/96/62/71/512966271.db2.gz ICKJFMIJTMAJIZ-MRXNPFEDSA-N 2 1 369.469 2.748 20 5 FFBDMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435380945 513570267 /nfs/dbraw/zinc/57/02/67/513570267.db2.gz QTXGFCCWEDHCNM-BYICEURKSA-N 2 1 355.442 2.710 20 5 FFBDMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435380945 513570270 /nfs/dbraw/zinc/57/02/70/513570270.db2.gz QTXGFCCWEDHCNM-BYICEURKSA-N 2 1 355.442 2.710 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387715 514123093 /nfs/dbraw/zinc/12/30/93/514123093.db2.gz GMQCYCBYGGHIRL-MAUKXSAKSA-N 2 1 360.458 2.696 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391078 514125709 /nfs/dbraw/zinc/12/57/09/514125709.db2.gz NXLKOSPLNCTJRR-WBVHZDCISA-N 2 1 353.850 2.967 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719118 518746614 /nfs/dbraw/zinc/74/66/14/518746614.db2.gz KQWJLVNWJZAHBM-LJQANCHMSA-N 2 1 355.442 2.571 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719118 518746617 /nfs/dbraw/zinc/74/66/17/518746617.db2.gz KQWJLVNWJZAHBM-LJQANCHMSA-N 2 1 355.442 2.571 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000567990264 518820032 /nfs/dbraw/zinc/82/00/32/518820032.db2.gz OSYNFZWQNIIDKP-IYBDPMFKSA-N 2 1 356.426 2.724 20 5 FFBDMP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620093 519582005 /nfs/dbraw/zinc/58/20/05/519582005.db2.gz MCQSNKSMSPQZFR-NXEZZACHSA-N 2 1 365.352 2.760 20 5 FFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000595036988 520265404 /nfs/dbraw/zinc/26/54/04/520265404.db2.gz ZACGCCMPWVGAQR-CQSZACIVSA-N 2 1 374.441 2.790 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901565 520808680 /nfs/dbraw/zinc/80/86/80/520808680.db2.gz YCFUHQMLAHWIKP-KRWDZBQOSA-N 2 1 374.485 2.943 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000611254604 521060405 /nfs/dbraw/zinc/06/04/05/521060405.db2.gz DFDKIHNEEPAQIN-UHFFFAOYSA-N 2 1 361.442 2.674 20 5 FFBDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])n1 ZINC000602482943 521371464 /nfs/dbraw/zinc/37/14/64/521371464.db2.gz HMZCSBWIWMDWTO-UHFFFAOYSA-N 2 1 369.469 2.816 20 5 FFBDMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1)CC(C)C ZINC000602664412 521469035 /nfs/dbraw/zinc/46/90/35/521469035.db2.gz WWLKSLHAUKKXEK-UHFFFAOYSA-N 2 1 351.495 2.908 20 5 FFBDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641358 739267359 /nfs/dbraw/zinc/26/73/59/739267359.db2.gz DOELGMMWRJHFPS-ZNMIVQPWSA-N 2 1 350.463 2.717 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000876914545 1014417711 /nfs/dbraw/zinc/41/77/11/1014417711.db2.gz RTGZXYPNFQCQGK-UHFFFAOYSA-N 2 1 355.442 2.533 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]CCC[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000876914545 1014417719 /nfs/dbraw/zinc/41/77/19/1014417719.db2.gz RTGZXYPNFQCQGK-UHFFFAOYSA-N 2 1 355.442 2.533 20 5 FFBDMP C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168437 1014496520 /nfs/dbraw/zinc/49/65/20/1014496520.db2.gz UJBNMZSALXHTEE-BJMVHTGZSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866266889 1010965764 /nfs/dbraw/zinc/96/57/64/1010965764.db2.gz UBMZXWNHDVMVLB-KBXCAEBGSA-N 2 1 365.449 2.898 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509787 1029725264 /nfs/dbraw/zinc/72/52/64/1029725264.db2.gz QVRDQORDRXMNDS-ZIAGYGMSSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509787 1029725274 /nfs/dbraw/zinc/72/52/74/1029725274.db2.gz QVRDQORDRXMNDS-ZIAGYGMSSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509787 1029725277 /nfs/dbraw/zinc/72/52/77/1029725277.db2.gz QVRDQORDRXMNDS-ZIAGYGMSSA-N 2 1 366.437 2.867 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000798957449 1031595424 /nfs/dbraw/zinc/59/54/24/1031595424.db2.gz XLYRNCMXEKJZEO-UHFFFAOYSA-N 2 1 361.442 2.674 20 5 FFBDMP Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229845753 1036928169 /nfs/dbraw/zinc/92/81/69/1036928169.db2.gz IVPQHVBPFGUIQC-INIZCTEOSA-N 2 1 355.506 2.817 20 5 FFBDMP Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229845753 1036928183 /nfs/dbraw/zinc/92/81/83/1036928183.db2.gz IVPQHVBPFGUIQC-INIZCTEOSA-N 2 1 355.506 2.817 20 5 FFBDMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001248209800 1040174460 /nfs/dbraw/zinc/17/44/60/1040174460.db2.gz XKRLCVQDQABCRD-QGZVFWFLSA-N 2 1 367.409 2.949 20 5 FFBDMP C[NH+]1CCC2(CC[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)CC1 ZINC001254479926 1040745194 /nfs/dbraw/zinc/74/51/94/1040745194.db2.gz QKIOPZLPPPOZRA-UHFFFAOYSA-N 2 1 358.486 2.981 20 5 FFBDMP Cc1cc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001254606322 1040835132 /nfs/dbraw/zinc/83/51/32/1040835132.db2.gz GKFDBRZYTICOIX-IBGZPJMESA-N 2 1 367.453 2.727 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357109 1049387303 /nfs/dbraw/zinc/38/73/03/1049387303.db2.gz RCLWWAYDIGNSAX-SQWLQELKSA-N 2 1 363.458 2.774 20 5 FFBDMP CC[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001474356277 1065501178 /nfs/dbraw/zinc/50/11/78/1065501178.db2.gz YQBUIRHTAVYKPZ-ICSRJNTNSA-N 2 1 361.486 2.552 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609981 257554090 /nfs/dbraw/zinc/55/40/90/257554090.db2.gz JXNZFVRREYGQNB-HXUWFJFHSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609981 257554091 /nfs/dbraw/zinc/55/40/91/257554091.db2.gz JXNZFVRREYGQNB-HXUWFJFHSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609981 257554092 /nfs/dbraw/zinc/55/40/92/257554092.db2.gz JXNZFVRREYGQNB-HXUWFJFHSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609981 257554093 /nfs/dbraw/zinc/55/40/93/257554093.db2.gz JXNZFVRREYGQNB-HXUWFJFHSA-N 2 1 369.469 2.913 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057847270 507341398 /nfs/dbraw/zinc/34/13/98/507341398.db2.gz UMBPWOUTIJNVCW-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440541 509936332 /nfs/dbraw/zinc/93/63/32/509936332.db2.gz UPSVCKKXTQQYLP-YOEHRIQHSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440541 509936338 /nfs/dbraw/zinc/93/63/38/509936338.db2.gz UPSVCKKXTQQYLP-YOEHRIQHSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440541 509936343 /nfs/dbraw/zinc/93/63/43/509936343.db2.gz UPSVCKKXTQQYLP-YOEHRIQHSA-N 2 1 362.474 2.894 20 5 FFBDMP C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1ccnc1 ZINC000247014326 510798935 /nfs/dbraw/zinc/79/89/35/510798935.db2.gz DFRWGSJKLRESGA-XJKSGUPXSA-N 2 1 368.397 2.924 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609980 512025614 /nfs/dbraw/zinc/02/56/14/512025614.db2.gz JXNZFVRREYGQNB-FQEVSTJZSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609980 512025619 /nfs/dbraw/zinc/02/56/19/512025619.db2.gz JXNZFVRREYGQNB-FQEVSTJZSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609980 512025623 /nfs/dbraw/zinc/02/56/23/512025623.db2.gz JXNZFVRREYGQNB-FQEVSTJZSA-N 2 1 369.469 2.913 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609980 512025626 /nfs/dbraw/zinc/02/56/26/512025626.db2.gz JXNZFVRREYGQNB-FQEVSTJZSA-N 2 1 369.469 2.913 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000378039719 512559541 /nfs/dbraw/zinc/55/95/41/512559541.db2.gz SSAKFGCUVKIPFS-UHFFFAOYSA-N 2 1 361.490 2.622 20 5 FFBDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)CC1 ZINC000421381956 513243060 /nfs/dbraw/zinc/24/30/60/513243060.db2.gz XQJOLELYLQVXSQ-UHFFFAOYSA-N 2 1 360.502 2.895 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430545531 513682662 /nfs/dbraw/zinc/68/26/62/513682662.db2.gz BPVJXQOQAZQEJG-UHFFFAOYSA-N 2 1 360.458 2.696 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715454 513909769 /nfs/dbraw/zinc/90/97/69/513909769.db2.gz MEJYGEBOALSARO-YLJYHZDGSA-N 2 1 369.421 2.949 20 5 FFBDMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907061 514349899 /nfs/dbraw/zinc/34/98/99/514349899.db2.gz AIGRMUCGXLKWDZ-RYUDHWBXSA-N 2 1 359.373 2.607 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468643168 515449674 /nfs/dbraw/zinc/44/96/74/515449674.db2.gz OHZACYOTRQUFAH-AGWAZZAUSA-N 2 1 374.485 2.530 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468643168 515449680 /nfs/dbraw/zinc/44/96/80/515449680.db2.gz OHZACYOTRQUFAH-AGWAZZAUSA-N 2 1 374.485 2.530 20 5 FFBDMP CC[NH+](CC)CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000554812559 516648018 /nfs/dbraw/zinc/64/80/18/516648018.db2.gz VWCLBRVEKNNPQX-UHFFFAOYSA-N 2 1 374.489 2.715 20 5 FFBDMP CC[NH+](CC)CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000554812559 516648024 /nfs/dbraw/zinc/64/80/24/516648024.db2.gz VWCLBRVEKNNPQX-UHFFFAOYSA-N 2 1 374.489 2.715 20 5 FFBDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888803 517472701 /nfs/dbraw/zinc/47/27/01/517472701.db2.gz WAYWOQOQZXHDRI-QGZVFWFLSA-N 2 1 360.483 2.735 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000542702826 517696085 /nfs/dbraw/zinc/69/60/85/517696085.db2.gz VTCQITVCNYKOJU-UHFFFAOYSA-N 2 1 360.502 2.894 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490201 519578447 /nfs/dbraw/zinc/57/84/47/519578447.db2.gz UIIYWASJIRUUDG-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490201 519578453 /nfs/dbraw/zinc/57/84/53/519578453.db2.gz UIIYWASJIRUUDG-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490201 519578459 /nfs/dbraw/zinc/57/84/59/519578459.db2.gz UIIYWASJIRUUDG-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490201 519578466 /nfs/dbraw/zinc/57/84/66/519578466.db2.gz UIIYWASJIRUUDG-HNNXBMFYSA-N 2 1 363.487 2.615 20 5 FFBDMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602949168 519989579 /nfs/dbraw/zinc/98/95/79/519989579.db2.gz FMKOKAXEHMHFAJ-UHFFFAOYSA-N 2 1 360.458 2.874 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478720 520407039 /nfs/dbraw/zinc/40/70/39/520407039.db2.gz ITGSKIVCVWQHOH-YJBOKZPZSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492896 520417032 /nfs/dbraw/zinc/41/70/32/520417032.db2.gz GSGLSVLTSAUBAH-IRXDYDNUSA-N 2 1 374.485 2.943 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900938 520808268 /nfs/dbraw/zinc/80/82/68/520808268.db2.gz PKUQIIQWVLHSOX-NVXWUHKLSA-N 2 1 374.485 2.942 20 5 FFBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596097510 520909986 /nfs/dbraw/zinc/90/99/86/520909986.db2.gz YKBCKTIXDPLJFW-KZNAEPCWSA-N 2 1 361.490 2.987 20 5 FFBDMP CC[N@@H+](CCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000602798453 521540598 /nfs/dbraw/zinc/54/05/98/521540598.db2.gz NZGNEANZHHBLHT-UHFFFAOYSA-N 2 1 363.506 2.934 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602809364 521545574 /nfs/dbraw/zinc/54/55/74/521545574.db2.gz BXADCXHULZBGMD-MAUKXSAKSA-N 2 1 357.458 2.600 20 5 FFBDMP O=C(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602844886 521566192 /nfs/dbraw/zinc/56/61/92/521566192.db2.gz HFWCJTCNWLAFSO-UHFFFAOYSA-N 2 1 369.425 2.531 20 5 FFBDMP COc1c(O)ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892583314 734576558 /nfs/dbraw/zinc/57/65/58/734576558.db2.gz CCNQZIVLALKBOB-CQSZACIVSA-N 2 1 351.447 2.911 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394538 738136965 /nfs/dbraw/zinc/13/69/65/738136965.db2.gz XBJASLBKKKGERX-JHNDHUHGSA-N 2 1 353.488 2.616 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000876895075 1014412409 /nfs/dbraw/zinc/41/24/09/1014412409.db2.gz VMHPTFKKJGZOJG-UHFFFAOYSA-N 2 1 355.442 2.749 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507408 1015943534 /nfs/dbraw/zinc/94/35/34/1015943534.db2.gz YKMLJTATZSLLNT-ZYSHUDEJSA-N 2 1 358.486 2.865 20 5 FFBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001169019595 1000017429 /nfs/dbraw/zinc/01/74/29/1000017429.db2.gz GSNAMIYUYWHECH-VQTJNVASSA-N 2 1 373.497 2.799 20 5 FFBDMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CCC[NH3+] ZINC000852760273 1006171345 /nfs/dbraw/zinc/17/13/45/1006171345.db2.gz XWFLPSMUFTVJKT-CXAGYDPISA-N 2 1 366.437 2.902 20 5 FFBDMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098307 1020677181 /nfs/dbraw/zinc/67/71/81/1020677181.db2.gz MXXNFFNYCBVGEA-GJZGRUSLSA-N 2 1 363.458 2.755 20 5 FFBDMP C[C@H]1[NH2+]C[C@@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001218385187 1033131003 /nfs/dbraw/zinc/13/10/03/1033131003.db2.gz GTLZUGAQKBXSDC-YJYMSZOUSA-N 2 1 364.449 2.627 20 5 FFBDMP [NH3+]C[C@]1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512016 1027732832 /nfs/dbraw/zinc/73/28/32/1027732832.db2.gz RJRIVWHJTNRUFB-KRWDZBQOSA-N 2 1 361.833 2.631 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612937 1029345472 /nfs/dbraw/zinc/34/54/72/1029345472.db2.gz PVSFQTYFORKIIQ-XSFOEPMVSA-N 2 1 367.453 2.543 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC001256086779 1038370377 /nfs/dbraw/zinc/37/03/77/1038370377.db2.gz DSFFHWHGEFMAKV-BJWYYQGGSA-N 2 1 374.485 2.787 20 5 FFBDMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485964 1039368928 /nfs/dbraw/zinc/36/89/28/1039368928.db2.gz XDMIQLRENUWDEE-HOTGVXAUSA-N 2 1 362.477 2.848 20 5 FFBDMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572178 1039401232 /nfs/dbraw/zinc/40/12/32/1039401232.db2.gz UVDNNOUDXGLPRA-BBRMVZONSA-N 2 1 372.391 2.603 20 5 FFBDMP [NH3+][C@H]1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572178 1039401237 /nfs/dbraw/zinc/40/12/37/1039401237.db2.gz UVDNNOUDXGLPRA-BBRMVZONSA-N 2 1 372.391 2.603 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000193081409 509771333 /nfs/dbraw/zinc/77/13/33/509771333.db2.gz DEUCLZWVPIBLHE-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281255394 511777178 /nfs/dbraw/zinc/77/71/78/511777178.db2.gz MUGNIWDSYXFVLR-UHFFFAOYSA-N 2 1 357.458 2.913 20 5 FFBDMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281255394 511777180 /nfs/dbraw/zinc/77/71/80/511777180.db2.gz MUGNIWDSYXFVLR-UHFFFAOYSA-N 2 1 357.458 2.913 20 5 FFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430588300 513697685 /nfs/dbraw/zinc/69/76/85/513697685.db2.gz CYNXTKCXJUNQJP-UHFFFAOYSA-N 2 1 351.447 2.712 20 5 FFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328861 514096909 /nfs/dbraw/zinc/09/69/09/514096909.db2.gz NEDNUSOWSOXSGD-INIZCTEOSA-N 2 1 363.458 2.569 20 5 FFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328861 514096913 /nfs/dbraw/zinc/09/69/13/514096913.db2.gz NEDNUSOWSOXSGD-INIZCTEOSA-N 2 1 363.458 2.569 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423414893 514135083 /nfs/dbraw/zinc/13/50/83/514135083.db2.gz OAYHSWUDDAIEEJ-PBHICJAKSA-N 2 1 353.488 2.824 20 5 FFBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300243 514282362 /nfs/dbraw/zinc/28/23/62/514282362.db2.gz ACJRQTGEETXVIU-LPHOPBHVSA-N 2 1 374.485 2.539 20 5 FFBDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907058 514350967 /nfs/dbraw/zinc/35/09/67/514350967.db2.gz AIGRMUCGXLKWDZ-NWDGAFQWSA-N 2 1 359.373 2.607 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC[NH2+]CC2 ZINC000424283767 514446654 /nfs/dbraw/zinc/44/66/54/514446654.db2.gz BZQZSBFUZHLKIU-CYBMUJFWSA-N 2 1 357.414 2.609 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CC1 ZINC000602875811 519941958 /nfs/dbraw/zinc/94/19/58/519941958.db2.gz ASBCQQMOHVYXAM-UHFFFAOYSA-N 2 1 357.414 2.563 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426366 520385680 /nfs/dbraw/zinc/38/56/80/520385680.db2.gz ZHRASMKHLCLPAC-APWZRJJASA-N 2 1 369.469 2.959 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426366 520385685 /nfs/dbraw/zinc/38/56/85/520385685.db2.gz ZHRASMKHLCLPAC-APWZRJJASA-N 2 1 369.469 2.959 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900242 520806123 /nfs/dbraw/zinc/80/61/23/520806123.db2.gz BYWQFHGDNHUXNU-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900787 520808313 /nfs/dbraw/zinc/80/83/13/520808313.db2.gz LFQWOIBPDUZOLK-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP Cn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602459841 521359685 /nfs/dbraw/zinc/35/96/85/521359685.db2.gz VCZMDIKFXSYDLT-UHFFFAOYSA-N 2 1 357.458 2.672 20 5 FFBDMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602459841 521359697 /nfs/dbraw/zinc/35/96/97/521359697.db2.gz VCZMDIKFXSYDLT-UHFFFAOYSA-N 2 1 357.458 2.672 20 5 FFBDMP C[N@H+](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000602528315 521396594 /nfs/dbraw/zinc/39/65/94/521396594.db2.gz OSCVOJXASSSGBQ-UHFFFAOYSA-N 2 1 361.490 2.813 20 5 FFBDMP C[N@@H+](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000602528315 521396607 /nfs/dbraw/zinc/39/66/07/521396607.db2.gz OSCVOJXASSSGBQ-UHFFFAOYSA-N 2 1 361.490 2.813 20 5 FFBDMP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896520514 971534958 /nfs/dbraw/zinc/53/49/58/971534958.db2.gz DALUVAPWFDVKAW-INIZCTEOSA-N 2 1 356.426 2.539 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@H]1C(C)C ZINC000922392709 988553402 /nfs/dbraw/zinc/55/34/02/988553402.db2.gz GOGRAJNCOPJJOR-NCXUSEDFSA-N 2 1 365.449 2.693 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@@H]1C(C)C ZINC000922395031 988556420 /nfs/dbraw/zinc/55/64/20/988556420.db2.gz PXTJJXHWUROENQ-LMCOJAPRSA-N 2 1 361.486 2.863 20 5 FFBDMP COc1ccc(C[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329802 1003116868 /nfs/dbraw/zinc/11/68/68/1003116868.db2.gz UVYSHGLRBNCJGT-HNNXBMFYSA-N 2 1 356.426 2.752 20 5 FFBDMP C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180219274 1009597902 /nfs/dbraw/zinc/59/79/02/1009597902.db2.gz LVKZAYTVHGUPEZ-IBGZPJMESA-N 2 1 361.486 2.818 20 5 FFBDMP C[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001181125569 1009984638 /nfs/dbraw/zinc/98/46/38/1009984638.db2.gz QKDLKICVRWXMIO-JXFKEZNVSA-N 2 1 361.486 2.552 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866232339 1010956408 /nfs/dbraw/zinc/95/64/08/1010956408.db2.gz JZRDSYJKOKIWDU-MRXNPFEDSA-N 2 1 366.481 2.672 20 5 FFBDMP [NH3+]C[C@]1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[NH+]2CCC1CC2 ZINC001160517896 1027734506 /nfs/dbraw/zinc/73/45/06/1027734506.db2.gz DZWWRYJPGXJHOZ-IBGZPJMESA-N 2 1 371.416 2.631 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001157661214 1029640668 /nfs/dbraw/zinc/64/06/68/1029640668.db2.gz ZFJGCWGWQVVCGS-IZZDOVSWSA-N 2 1 359.474 2.977 20 5 FFBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)CO1 ZINC001204428993 1031283279 /nfs/dbraw/zinc/28/32/79/1031283279.db2.gz ACHVDOPFYSLIFO-IAGOWNOFSA-N 2 1 361.486 2.959 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363259 1031355275 /nfs/dbraw/zinc/35/52/75/1031355275.db2.gz UVFASRNUZDALMQ-BBRMVZONSA-N 2 1 364.421 2.527 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCCC[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246593810 1039408626 /nfs/dbraw/zinc/40/86/26/1039408626.db2.gz NZQJDGWOWFCWTK-HNNXBMFYSA-N 2 1 362.474 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001460302843 1060950322 /nfs/dbraw/zinc/95/03/22/1060950322.db2.gz CSXGBFWHFQFPMQ-UHFFFAOYSA-N 2 1 357.370 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001460302843 1060950346 /nfs/dbraw/zinc/95/03/46/1060950346.db2.gz CSXGBFWHFQFPMQ-UHFFFAOYSA-N 2 1 357.370 2.610 20 5 FFBDMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272639284 252087757 /nfs/dbraw/zinc/08/77/57/252087757.db2.gz OFSUVCRZQCYBRO-UHFFFAOYSA-N 2 1 371.384 2.599 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000366976467 512278221 /nfs/dbraw/zinc/27/82/21/512278221.db2.gz ORYWRQRDYKQSMZ-UHFFFAOYSA-N 2 1 364.465 2.583 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139854115 508795841 /nfs/dbraw/zinc/79/58/41/508795841.db2.gz UVHXXHFGUIQRJF-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139854115 508795844 /nfs/dbraw/zinc/79/58/44/508795844.db2.gz UVHXXHFGUIQRJF-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139854115 508795847 /nfs/dbraw/zinc/79/58/47/508795847.db2.gz UVHXXHFGUIQRJF-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730691 510564201 /nfs/dbraw/zinc/56/42/01/510564201.db2.gz UCHQYXVPGVVAQY-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730691 510564206 /nfs/dbraw/zinc/56/42/06/510564206.db2.gz UCHQYXVPGVVAQY-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730691 510564214 /nfs/dbraw/zinc/56/42/14/510564214.db2.gz UCHQYXVPGVVAQY-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730691 510564218 /nfs/dbraw/zinc/56/42/18/510564218.db2.gz UCHQYXVPGVVAQY-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000441362804 513550778 /nfs/dbraw/zinc/55/07/78/513550778.db2.gz VLRXMPFWCVDDFC-UHFFFAOYSA-N 2 1 372.469 2.970 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420386758 514122769 /nfs/dbraw/zinc/12/27/69/514122769.db2.gz VOSVCFBYWYZIES-LJQANCHMSA-N 2 1 356.426 2.868 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063709 515087853 /nfs/dbraw/zinc/08/78/53/515087853.db2.gz YACOUJSTAQWFKJ-IBGZPJMESA-N 2 1 355.442 2.571 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063709 515087863 /nfs/dbraw/zinc/08/78/63/515087863.db2.gz YACOUJSTAQWFKJ-IBGZPJMESA-N 2 1 355.442 2.571 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000478037375 515675671 /nfs/dbraw/zinc/67/56/71/515675671.db2.gz PQYZSWYADXDWNJ-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000478037375 515675678 /nfs/dbraw/zinc/67/56/78/515675678.db2.gz PQYZSWYADXDWNJ-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000478037375 515675686 /nfs/dbraw/zinc/67/56/86/515675686.db2.gz PQYZSWYADXDWNJ-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000478037375 515675695 /nfs/dbraw/zinc/67/56/95/515675695.db2.gz PQYZSWYADXDWNJ-FQEVSTJZSA-N 2 1 369.469 2.779 20 5 FFBDMP Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264230 517611434 /nfs/dbraw/zinc/61/14/34/517611434.db2.gz ILTWQBYCSMPYHP-HOCLYGCPSA-N 2 1 356.426 2.751 20 5 FFBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576101330 518430616 /nfs/dbraw/zinc/43/06/16/518430616.db2.gz PHYZZSKIAYXUOD-MRXNPFEDSA-N 2 1 362.474 2.881 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000569531983 519595414 /nfs/dbraw/zinc/59/54/14/519595414.db2.gz QNHJLZCMRFYARQ-VKAVYKQESA-N 2 1 360.502 2.956 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594973618 520236374 /nfs/dbraw/zinc/23/63/74/520236374.db2.gz GVZNTPPFNSCTNL-HXUWFJFHSA-N 2 1 355.438 2.760 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433773 520389893 /nfs/dbraw/zinc/38/98/93/520389893.db2.gz WNDVAYFTCRZBNS-GJZGRUSLSA-N 2 1 361.442 2.578 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479451 520407642 /nfs/dbraw/zinc/40/76/42/520407642.db2.gz ZQFOKSJASCDSOH-WBVHZDCISA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493948 520416511 /nfs/dbraw/zinc/41/65/11/520416511.db2.gz WWLSEFSGXPFWDB-IRXDYDNUSA-N 2 1 374.485 2.943 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])c1 ZINC000595904552 520811721 /nfs/dbraw/zinc/81/17/21/520811721.db2.gz FSDBWZDLIJJCSR-GDBMZVCRSA-N 2 1 351.447 2.822 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262642 521064287 /nfs/dbraw/zinc/06/42/87/521064287.db2.gz WSLDUXYJMSUGPP-UHFFFAOYSA-N 2 1 363.458 2.918 20 5 FFBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276065 521075446 /nfs/dbraw/zinc/07/54/46/521075446.db2.gz JVUMXUPXUYEJOG-SUOMESGTSA-N 2 1 358.486 2.708 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103848 747270246 /nfs/dbraw/zinc/27/02/46/747270246.db2.gz KXLXPKNBUSFDJK-PBHICJAKSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386154 747821110 /nfs/dbraw/zinc/82/11/10/747821110.db2.gz ILGXSULBZSQGBQ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121258585 959405659 /nfs/dbraw/zinc/40/56/59/959405659.db2.gz ISXOBDSLDZCVEF-FZKQIMNGSA-N 2 1 354.414 2.990 20 5 FFBDMP Cc1nn(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121258585 959405669 /nfs/dbraw/zinc/40/56/69/959405669.db2.gz ISXOBDSLDZCVEF-FZKQIMNGSA-N 2 1 354.414 2.990 20 5 FFBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021543 1000017677 /nfs/dbraw/zinc/01/76/77/1000017677.db2.gz LJWAMRQGRKRDRJ-HKUYNNGSSA-N 2 1 358.486 2.815 20 5 FFBDMP CCN(C)[C@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441638 1002601520 /nfs/dbraw/zinc/60/15/20/1002601520.db2.gz YSTJWRDHXUGQSV-NRFANRHFSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@H+](C)[C@H]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441638 1002601522 /nfs/dbraw/zinc/60/15/22/1002601522.db2.gz YSTJWRDHXUGQSV-NRFANRHFSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@@H+](C)[C@H]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441638 1002601524 /nfs/dbraw/zinc/60/15/24/1002601524.db2.gz YSTJWRDHXUGQSV-NRFANRHFSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853497383 1006413383 /nfs/dbraw/zinc/41/33/83/1006413383.db2.gz XVWVPAKXWWDFCW-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001181125583 1009985446 /nfs/dbraw/zinc/98/54/46/1009985446.db2.gz QKDLKICVRWXMIO-OXQOHEQNSA-N 2 1 361.486 2.552 20 5 FFBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014927 1012186863 /nfs/dbraw/zinc/18/68/63/1012186863.db2.gz WOZUKYJIEWLORX-SJCJKPOMSA-N 2 1 368.428 2.772 20 5 FFBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014927 1012186878 /nfs/dbraw/zinc/18/68/78/1012186878.db2.gz WOZUKYJIEWLORX-SJCJKPOMSA-N 2 1 368.428 2.772 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1F ZINC001173188211 1012329186 /nfs/dbraw/zinc/32/91/86/1012329186.db2.gz JEPRNHXMDZIIHD-GFCCVEGCSA-N 2 1 351.422 2.890 20 5 FFBDMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963456 1020333328 /nfs/dbraw/zinc/33/33/28/1020333328.db2.gz LRKRULMXVJTOFP-APWZRJJASA-N 2 1 355.442 2.832 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357104 1049386828 /nfs/dbraw/zinc/38/68/28/1049386828.db2.gz RCLWWAYDIGNSAX-LZWOXQAQSA-N 2 1 363.458 2.774 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000105476369 508373292 /nfs/dbraw/zinc/37/32/92/508373292.db2.gz BKBGJMOSMCTGCW-UHFFFAOYSA-N 2 1 372.469 2.972 20 5 FFBDMP Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129312756 508711620 /nfs/dbraw/zinc/71/16/20/508711620.db2.gz DCBYVURMUKMNGB-UHFFFAOYSA-N 2 1 363.393 2.590 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129312756 508711624 /nfs/dbraw/zinc/71/16/24/508711624.db2.gz DCBYVURMUKMNGB-UHFFFAOYSA-N 2 1 363.393 2.590 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129312756 508711629 /nfs/dbraw/zinc/71/16/29/508711629.db2.gz DCBYVURMUKMNGB-UHFFFAOYSA-N 2 1 363.393 2.590 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150804664 508896802 /nfs/dbraw/zinc/89/68/02/508896802.db2.gz VNAWACPNCUUOTC-MRXNPFEDSA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766411 509345664 /nfs/dbraw/zinc/34/56/64/509345664.db2.gz QYARXUCIYQMNAB-JKSUJKDBSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766411 509345667 /nfs/dbraw/zinc/34/56/67/509345667.db2.gz QYARXUCIYQMNAB-JKSUJKDBSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247781862 510870470 /nfs/dbraw/zinc/87/04/70/510870470.db2.gz XTBUISOICGAPIQ-CPUCHLNUSA-N 2 1 357.414 2.701 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247781862 510870471 /nfs/dbraw/zinc/87/04/71/510870471.db2.gz XTBUISOICGAPIQ-CPUCHLNUSA-N 2 1 357.414 2.701 20 5 FFBDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000284155739 511625284 /nfs/dbraw/zinc/62/52/84/511625284.db2.gz PNBBHOBSWJXPGE-ZDUSSCGKSA-N 2 1 370.457 2.903 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879030 513802151 /nfs/dbraw/zinc/80/21/51/513802151.db2.gz UZHUGDDHCSXRQI-MJGOQNOKSA-N 2 1 374.529 2.922 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879029 513802738 /nfs/dbraw/zinc/80/27/38/513802738.db2.gz UZHUGDDHCSXRQI-IEBWSBKVSA-N 2 1 374.529 2.922 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387722 514122705 /nfs/dbraw/zinc/12/27/05/514122705.db2.gz GMQCYCBYGGHIRL-YJBOKZPZSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402921 514133100 /nfs/dbraw/zinc/13/31/00/514133100.db2.gz RAYBUSUTKZVNPG-MAUKXSAKSA-N 2 1 360.458 2.696 20 5 FFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423414896 514135146 /nfs/dbraw/zinc/13/51/46/514135146.db2.gz OAYHSWUDDAIEEJ-YOEHRIQHSA-N 2 1 353.488 2.824 20 5 FFBDMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874739 517882135 /nfs/dbraw/zinc/88/21/35/517882135.db2.gz CNFVDSZWJQOFIN-UHTWSYAYSA-N 2 1 371.384 2.764 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874739 517882144 /nfs/dbraw/zinc/88/21/44/517882144.db2.gz CNFVDSZWJQOFIN-UHTWSYAYSA-N 2 1 371.384 2.764 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000594503817 520005571 /nfs/dbraw/zinc/00/55/71/520005571.db2.gz BRODSGLIPRUWSX-XLIONFOSSA-N 2 1 367.449 2.939 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594975859 520239068 /nfs/dbraw/zinc/23/90/68/520239068.db2.gz VZOQVDXGURLHRT-SFHVURJKSA-N 2 1 359.401 2.590 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594975859 520239073 /nfs/dbraw/zinc/23/90/73/520239073.db2.gz VZOQVDXGURLHRT-SFHVURJKSA-N 2 1 359.401 2.590 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595066141 520275630 /nfs/dbraw/zinc/27/56/30/520275630.db2.gz CQKWALIWZIVBQI-XLIONFOSSA-N 2 1 367.449 2.939 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478845 520407181 /nfs/dbraw/zinc/40/71/81/520407181.db2.gz KBSYNKOONYQHQZ-WBVHZDCISA-N 2 1 360.458 2.696 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494015 520415529 /nfs/dbraw/zinc/41/55/29/520415529.db2.gz ZHJZLYUSVJSRHO-HZPDHXFCSA-N 2 1 360.458 2.635 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492983 520416915 /nfs/dbraw/zinc/41/69/15/520416915.db2.gz LAFKKPKJURYOSQ-CVEARBPZSA-N 2 1 371.441 2.856 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316803 520904961 /nfs/dbraw/zinc/90/49/61/520904961.db2.gz XSTOSIDBOQRWFF-QOKNQOGYSA-N 2 1 363.458 2.712 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903341 748133366 /nfs/dbraw/zinc/13/33/66/748133366.db2.gz XQEUCXROZXHCAV-MJEQTWJJSA-N 2 1 353.850 2.967 20 5 FFBDMP C[N@H+]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC[C@H]21 ZINC000765102803 984962932 /nfs/dbraw/zinc/96/29/32/984962932.db2.gz ARQINOGTULVIOJ-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249651 1015438627 /nfs/dbraw/zinc/43/86/27/1015438627.db2.gz XSOSLKDZCATVOY-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+]C[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156109728 1029050899 /nfs/dbraw/zinc/05/08/99/1029050899.db2.gz DVAFATSTSCXOOM-ZKKXHLJNSA-N 2 1 359.455 2.735 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509784 1029725914 /nfs/dbraw/zinc/72/59/14/1029725914.db2.gz QVRDQORDRXMNDS-KGLIPLIRSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509784 1029725920 /nfs/dbraw/zinc/72/59/20/1029725920.db2.gz QVRDQORDRXMNDS-KGLIPLIRSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509784 1029725927 /nfs/dbraw/zinc/72/59/27/1029725927.db2.gz QVRDQORDRXMNDS-KGLIPLIRSA-N 2 1 366.437 2.867 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094099 1038379538 /nfs/dbraw/zinc/37/95/38/1038379538.db2.gz GLKVUSRFMHFCRX-WMLDXEAASA-N 2 1 362.474 2.502 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094099 1038379549 /nfs/dbraw/zinc/37/95/49/1038379549.db2.gz GLKVUSRFMHFCRX-WMLDXEAASA-N 2 1 362.474 2.502 20 5 FFBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CCOCC2)CC1 ZINC001254587633 1040818539 /nfs/dbraw/zinc/81/85/39/1040818539.db2.gz RQMLCTNDFGAUGU-MBOZVWFJSA-N 2 1 359.470 2.813 20 5 FFBDMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000192775309 509640558 /nfs/dbraw/zinc/64/05/58/509640558.db2.gz USWJJXVLBZDRST-UHFFFAOYSA-N 2 1 360.502 2.975 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271481722 511219680 /nfs/dbraw/zinc/21/96/80/511219680.db2.gz NPSMRMKGRIXIGK-VQIMIIECSA-N 2 1 365.474 2.700 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081966 514034670 /nfs/dbraw/zinc/03/46/70/514034670.db2.gz DQQURTNSCMWNBQ-ARFHVFGLSA-N 2 1 373.375 2.860 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000417338920 514300511 /nfs/dbraw/zinc/30/05/11/514300511.db2.gz ZPOXOYVKTJLEQZ-LJQANCHMSA-N 2 1 360.502 2.978 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845724 515030172 /nfs/dbraw/zinc/03/01/72/515030172.db2.gz LLXGUJIOMYQOIB-IAGOWNOFSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845724 515030178 /nfs/dbraw/zinc/03/01/78/515030178.db2.gz LLXGUJIOMYQOIB-IAGOWNOFSA-N 2 1 357.458 2.500 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285513 515202899 /nfs/dbraw/zinc/20/28/99/515202899.db2.gz PJBPZGZAYMFSOK-KRWDZBQOSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285513 515202906 /nfs/dbraw/zinc/20/29/06/515202906.db2.gz PJBPZGZAYMFSOK-KRWDZBQOSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000488359431 516205460 /nfs/dbraw/zinc/20/54/60/516205460.db2.gz LFTAHCWVQVQDMV-UHFFFAOYSA-N 2 1 374.485 2.538 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533409090 517448628 /nfs/dbraw/zinc/44/86/28/517448628.db2.gz RLPZMOBXDUQXEA-UHFFFAOYSA-N 2 1 362.474 2.610 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533409090 517448640 /nfs/dbraw/zinc/44/86/40/517448640.db2.gz RLPZMOBXDUQXEA-UHFFFAOYSA-N 2 1 362.474 2.610 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533409090 517448643 /nfs/dbraw/zinc/44/86/43/517448643.db2.gz RLPZMOBXDUQXEA-UHFFFAOYSA-N 2 1 362.474 2.610 20 5 FFBDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283248 517540926 /nfs/dbraw/zinc/54/09/26/517540926.db2.gz RZXJGPMTAJCEII-AWEZNQCLSA-N 2 1 366.512 2.796 20 5 FFBDMP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000564120020 518313503 /nfs/dbraw/zinc/31/35/03/518313503.db2.gz GCEAISDHFIKBCC-UHFFFAOYSA-N 2 1 358.442 2.919 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)CC1 ZINC000602878454 519944682 /nfs/dbraw/zinc/94/46/82/519944682.db2.gz WNQDERRDWSTLRY-UHFFFAOYSA-N 2 1 357.414 2.563 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492820 520415826 /nfs/dbraw/zinc/41/58/26/520415826.db2.gz DJZLNBOLVZQACJ-BZUAXINKSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900729 520804566 /nfs/dbraw/zinc/80/45/66/520804566.db2.gz JIJDNWLLSDOAFS-NVXWUHKLSA-N 2 1 374.485 2.942 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901453 520807567 /nfs/dbraw/zinc/80/75/67/520807567.db2.gz WLEZAXLOWVCROV-MRXNPFEDSA-N 2 1 360.458 2.635 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000768100853 737397824 /nfs/dbraw/zinc/39/78/24/737397824.db2.gz DFSOZXIAKWMJTG-BZUAXINKSA-N 2 1 365.499 2.918 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000768100853 737397828 /nfs/dbraw/zinc/39/78/28/737397828.db2.gz DFSOZXIAKWMJTG-BZUAXINKSA-N 2 1 365.499 2.918 20 5 FFBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099334 747269012 /nfs/dbraw/zinc/26/90/12/747269012.db2.gz IFYNBNKSDRSIGC-DLBZAZTESA-N 2 1 353.850 2.967 20 5 FFBDMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472356 747612542 /nfs/dbraw/zinc/61/25/42/747612542.db2.gz FASOLNSYQJKTEA-HNNXBMFYSA-N 2 1 366.849 2.651 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746861 1014707008 /nfs/dbraw/zinc/70/70/08/1014707008.db2.gz ZTBPLJVNWHEHRN-VKAVYKQESA-N 2 1 358.486 2.710 20 5 FFBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000762078274 988106377 /nfs/dbraw/zinc/10/63/77/988106377.db2.gz XGOXSNMYIDMYMP-UHFFFAOYSA-N 2 1 371.445 2.777 20 5 FFBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000762078274 988106384 /nfs/dbraw/zinc/10/63/84/988106384.db2.gz XGOXSNMYIDMYMP-UHFFFAOYSA-N 2 1 371.445 2.777 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149179 999761645 /nfs/dbraw/zinc/76/16/45/999761645.db2.gz BWKAYCDLFAZZNT-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906100 1012076616 /nfs/dbraw/zinc/07/66/16/1012076616.db2.gz XAPXVYIUMPMNAU-BZSNNMDCSA-N 2 1 359.470 2.813 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798140 1017851580 /nfs/dbraw/zinc/85/15/80/1017851580.db2.gz QRILWMIIILJEPR-MSOLQXFVSA-N 2 1 359.470 2.664 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903066349 1020659760 /nfs/dbraw/zinc/65/97/60/1020659760.db2.gz KTMURAJXQHAYLX-MRXNPFEDSA-N 2 1 364.490 2.672 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363260 1031355624 /nfs/dbraw/zinc/35/56/24/1031355624.db2.gz UVFASRNUZDALMQ-CJNGLKHVSA-N 2 1 364.421 2.527 20 5 FFBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473810091 1065373632 /nfs/dbraw/zinc/37/36/32/1065373632.db2.gz UIENKVUBWPQYIP-MRXNPFEDSA-N 2 1 356.426 2.969 20 5 FFBDMP C[C@]1(O)CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474360720 1065502515 /nfs/dbraw/zinc/50/25/15/1065502515.db2.gz DBILIDKXWDQEGP-FQEVSTJZSA-N 2 1 361.486 2.696 20 5 FFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568920 508190834 /nfs/dbraw/zinc/19/08/34/508190834.db2.gz XBIDZCGFFFSKCX-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568920 508190836 /nfs/dbraw/zinc/19/08/36/508190836.db2.gz XBIDZCGFFFSKCX-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568920 508190839 /nfs/dbraw/zinc/19/08/39/508190839.db2.gz XBIDZCGFFFSKCX-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000118868011 508688572 /nfs/dbraw/zinc/68/85/72/508688572.db2.gz APMUQCSYZXNDHT-UHFFFAOYSA-N 2 1 359.430 2.809 20 5 FFBDMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236601373 509461519 /nfs/dbraw/zinc/46/15/19/509461519.db2.gz ONVXOUPYCGXLNG-UHFFFAOYSA-N 2 1 357.458 2.958 20 5 FFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962092 509877035 /nfs/dbraw/zinc/87/70/35/509877035.db2.gz QEIUDTRFYLVOQX-UHFFFAOYSA-N 2 1 351.422 2.811 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700208 510727921 /nfs/dbraw/zinc/72/79/21/510727921.db2.gz FTMFLGNTNUMBDF-UONOGXRCSA-N 2 1 359.430 2.743 20 5 FFBDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294447616 511067618 /nfs/dbraw/zinc/06/76/18/511067618.db2.gz VMBZERHSGVBKMQ-AWEZNQCLSA-N 2 1 373.457 2.753 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667525 511904277 /nfs/dbraw/zinc/90/42/77/511904277.db2.gz RPADCHPPUMGIPO-BEFAXECRSA-N 2 1 370.453 2.665 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000431839087 514016408 /nfs/dbraw/zinc/01/64/08/514016408.db2.gz YDDYAOZPTHJGGX-UHFFFAOYSA-N 2 1 361.490 2.622 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420330776 514096030 /nfs/dbraw/zinc/09/60/30/514096030.db2.gz BSPTUMKADGUNOO-INIZCTEOSA-N 2 1 357.414 2.609 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402923 514133722 /nfs/dbraw/zinc/13/37/22/514133722.db2.gz RAYBUSUTKZVNPG-YJBOKZPZSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470972876 514700794 /nfs/dbraw/zinc/70/07/94/514700794.db2.gz BBLAXIRDIYIFJR-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470972876 514700800 /nfs/dbraw/zinc/70/08/00/514700800.db2.gz BBLAXIRDIYIFJR-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470972876 514700810 /nfs/dbraw/zinc/70/08/10/514700810.db2.gz BBLAXIRDIYIFJR-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000475528929 514704439 /nfs/dbraw/zinc/70/44/39/514704439.db2.gz GWOCZTGBUFTVPT-UHFFFAOYSA-N 2 1 357.458 2.672 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000475528929 514704441 /nfs/dbraw/zinc/70/44/41/514704441.db2.gz GWOCZTGBUFTVPT-UHFFFAOYSA-N 2 1 357.458 2.672 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468643170 515450595 /nfs/dbraw/zinc/45/05/95/515450595.db2.gz OHZACYOTRQUFAH-XAVZPLJISA-N 2 1 374.485 2.530 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468643170 515450603 /nfs/dbraw/zinc/45/06/03/515450603.db2.gz OHZACYOTRQUFAH-XAVZPLJISA-N 2 1 374.485 2.530 20 5 FFBDMP Cn1ccnc1[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721777 515770049 /nfs/dbraw/zinc/77/00/49/515770049.db2.gz AWKLXBXGFCNSJU-CRAIPNDOSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721777 515770055 /nfs/dbraw/zinc/77/00/55/515770055.db2.gz AWKLXBXGFCNSJU-CRAIPNDOSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721777 515770060 /nfs/dbraw/zinc/77/00/60/515770060.db2.gz AWKLXBXGFCNSJU-CRAIPNDOSA-N 2 1 357.458 2.739 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000470185049 516168644 /nfs/dbraw/zinc/16/86/44/516168644.db2.gz YAZIRTAWPYTXLS-JCXSTKQLSA-N 2 1 372.513 2.956 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000470185049 516168649 /nfs/dbraw/zinc/16/86/49/516168649.db2.gz YAZIRTAWPYTXLS-JCXSTKQLSA-N 2 1 372.513 2.956 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533270861 517376878 /nfs/dbraw/zinc/37/68/78/517376878.db2.gz QRQOADUKNIQBNR-UHFFFAOYSA-N 2 1 362.474 2.976 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000594503814 520005884 /nfs/dbraw/zinc/00/58/84/520005884.db2.gz BRODSGLIPRUWSX-FXAWDEMLSA-N 2 1 367.449 2.939 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433774 520390392 /nfs/dbraw/zinc/39/03/92/520390392.db2.gz WNDVAYFTCRZBNS-HUUCEWRRSA-N 2 1 361.442 2.578 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000601105027 520638178 /nfs/dbraw/zinc/63/81/78/520638178.db2.gz RAPSXKXDHHZPST-UHFFFAOYSA-N 2 1 356.426 2.692 20 5 FFBDMP O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000593725184 521176428 /nfs/dbraw/zinc/17/64/28/521176428.db2.gz HIEKVORMPWIQPI-UHFFFAOYSA-N 2 1 352.438 2.563 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571454 521417077 /nfs/dbraw/zinc/41/70/77/521417077.db2.gz ZWIWXBKNGSYINL-VQIMIIECSA-N 2 1 355.442 2.749 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571454 521417084 /nfs/dbraw/zinc/41/70/84/521417084.db2.gz ZWIWXBKNGSYINL-VQIMIIECSA-N 2 1 355.442 2.749 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013955 521603270 /nfs/dbraw/zinc/60/32/70/521603270.db2.gz JQJYVRRNTPINSZ-FPOVZHCZSA-N 2 1 369.465 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013955 521603274 /nfs/dbraw/zinc/60/32/74/521603274.db2.gz JQJYVRRNTPINSZ-FPOVZHCZSA-N 2 1 369.465 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000841087166 747265974 /nfs/dbraw/zinc/26/59/74/747265974.db2.gz JRJKIQGLJNTLHY-UHFFFAOYSA-N 2 1 352.866 2.554 20 5 FFBDMP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000904449955 980279349 /nfs/dbraw/zinc/27/93/49/980279349.db2.gz NTCDEOBRRIELSG-UHFFFAOYSA-N 2 1 357.410 2.763 20 5 FFBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CN(C)C(N)=[NH2+] ZINC001144140695 998051337 /nfs/dbraw/zinc/05/13/37/998051337.db2.gz CUKPXOFDZVVKHS-UHFFFAOYSA-N 2 1 364.453 2.526 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886874716 1008910730 /nfs/dbraw/zinc/91/07/30/1008910730.db2.gz UYOIQJYQXIWEQR-GOSISDBHSA-N 2 1 364.421 2.528 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130592090 1009350469 /nfs/dbraw/zinc/35/04/69/1009350469.db2.gz BXJLJLULNAVHDW-AWEZNQCLSA-N 2 1 359.430 2.757 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130592090 1009350487 /nfs/dbraw/zinc/35/04/87/1009350487.db2.gz BXJLJLULNAVHDW-AWEZNQCLSA-N 2 1 359.430 2.757 20 5 FFBDMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098308 1020677146 /nfs/dbraw/zinc/67/71/46/1020677146.db2.gz MXXNFFNYCBVGEA-HUUCEWRRSA-N 2 1 363.458 2.755 20 5 FFBDMP C[NH+](C)/C=C/c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155459712 1028744535 /nfs/dbraw/zinc/74/45/35/1028744535.db2.gz WRBSAELETCWAIQ-RZIFZGNASA-N 2 1 370.457 2.545 20 5 FFBDMP C[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)CO1 ZINC001204428994 1031283895 /nfs/dbraw/zinc/28/38/95/1031283895.db2.gz ACHVDOPFYSLIFO-IRXDYDNUSA-N 2 1 361.486 2.959 20 5 FFBDMP CC(C)[N@@H+](C)Cc1nn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CC[NH2+]C2 ZINC001254598773 1040830181 /nfs/dbraw/zinc/83/01/81/1040830181.db2.gz XIYMGJHEUDEDQK-QGZVFWFLSA-N 2 1 369.469 2.617 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326584331 1046989135 /nfs/dbraw/zinc/98/91/35/1046989135.db2.gz WRWVYMGFFLHPDS-UHFFFAOYSA-N 2 1 357.414 2.610 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000903957871 1052566092 /nfs/dbraw/zinc/56/60/92/1052566092.db2.gz TZIFSBSJWQAILQ-HNNXBMFYSA-N 2 1 368.428 2.920 20 5 FFBDMP C[N@H+]1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC001336830719 1054265736 /nfs/dbraw/zinc/26/57/36/1054265736.db2.gz UTQGAWRZPRUCNC-HOJAQTOUSA-N 2 1 355.438 2.563 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001349325811 1055192108 /nfs/dbraw/zinc/19/21/08/1055192108.db2.gz QWKZGRRQMQLJOJ-UHFFFAOYSA-N 2 1 369.469 2.961 20 5 FFBDMP C[C@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001474716619 1065588254 /nfs/dbraw/zinc/58/82/54/1065588254.db2.gz QXTASHSOYHETSI-KRWDZBQOSA-N 2 1 361.486 2.960 20 5 FFBDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769974 250044589 /nfs/dbraw/zinc/04/45/89/250044589.db2.gz YVAVLNHUOHCSAY-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769974 250044592 /nfs/dbraw/zinc/04/45/92/250044592.db2.gz YVAVLNHUOHCSAY-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769974 250044600 /nfs/dbraw/zinc/04/46/00/250044600.db2.gz YVAVLNHUOHCSAY-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769974 250044604 /nfs/dbraw/zinc/04/46/04/250044604.db2.gz YVAVLNHUOHCSAY-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176226988 509389452 /nfs/dbraw/zinc/38/94/52/509389452.db2.gz FYMMJJZCFAAGAM-UHFFFAOYSA-N 2 1 357.458 2.635 20 5 FFBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261797086 510067872 /nfs/dbraw/zinc/06/78/72/510067872.db2.gz QPLBNLZMAPAQAI-SJORKVTESA-N 2 1 368.437 2.598 20 5 FFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271117666 511089103 /nfs/dbraw/zinc/08/91/03/511089103.db2.gz ITUWPOOKJOJXKY-HNNXBMFYSA-N 2 1 367.515 2.902 20 5 FFBDMP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363665033 511692895 /nfs/dbraw/zinc/69/28/95/511692895.db2.gz GINWSTUWXLRBFG-UHFFFAOYSA-N 2 1 351.422 2.668 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274839755 511959479 /nfs/dbraw/zinc/95/94/79/511959479.db2.gz LTVBUGPOCDQLMQ-QFBILLFUSA-N 2 1 365.474 2.700 20 5 FFBDMP C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000415072602 514429624 /nfs/dbraw/zinc/42/96/24/514429624.db2.gz XCWXYQURGJBZJN-AWEZNQCLSA-N 2 1 365.817 2.792 20 5 FFBDMP C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000415072602 514429627 /nfs/dbraw/zinc/42/96/27/514429627.db2.gz XCWXYQURGJBZJN-AWEZNQCLSA-N 2 1 365.817 2.792 20 5 FFBDMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCC1 ZINC000489904425 515025031 /nfs/dbraw/zinc/02/50/31/515025031.db2.gz BMMFLFLYNAJFSN-UHFFFAOYSA-N 2 1 359.430 2.986 20 5 FFBDMP [NH3+]CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCC1 ZINC000489904425 515025034 /nfs/dbraw/zinc/02/50/34/515025034.db2.gz BMMFLFLYNAJFSN-UHFFFAOYSA-N 2 1 359.430 2.986 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414958 517610769 /nfs/dbraw/zinc/61/07/69/517610769.db2.gz SSXMFQFWWQCDGO-RACPOZDESA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000538414958 517610778 /nfs/dbraw/zinc/61/07/78/517610778.db2.gz SSXMFQFWWQCDGO-RACPOZDESA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414958 517610784 /nfs/dbraw/zinc/61/07/84/517610784.db2.gz SSXMFQFWWQCDGO-RACPOZDESA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414958 517610794 /nfs/dbraw/zinc/61/07/94/517610794.db2.gz SSXMFQFWWQCDGO-RACPOZDESA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414959 517611848 /nfs/dbraw/zinc/61/18/48/517611848.db2.gz SSXMFQFWWQCDGO-VMLCMGRWSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000538414959 517611862 /nfs/dbraw/zinc/61/18/62/517611862.db2.gz SSXMFQFWWQCDGO-VMLCMGRWSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414959 517611876 /nfs/dbraw/zinc/61/18/76/517611876.db2.gz SSXMFQFWWQCDGO-VMLCMGRWSA-N 2 1 367.449 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414959 517611885 /nfs/dbraw/zinc/61/18/85/517611885.db2.gz SSXMFQFWWQCDGO-VMLCMGRWSA-N 2 1 367.449 2.835 20 5 FFBDMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874738 517882223 /nfs/dbraw/zinc/88/22/23/517882223.db2.gz CNFVDSZWJQOFIN-DRZSPHRISA-N 2 1 371.384 2.764 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874738 517882234 /nfs/dbraw/zinc/88/22/34/517882234.db2.gz CNFVDSZWJQOFIN-DRZSPHRISA-N 2 1 371.384 2.764 20 5 FFBDMP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620094 519582099 /nfs/dbraw/zinc/58/20/99/519582099.db2.gz MCQSNKSMSPQZFR-UWVGGRQHSA-N 2 1 365.352 2.760 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492946 520415465 /nfs/dbraw/zinc/41/54/65/520415465.db2.gz ISXTWSBTNYKVMV-JKSUJKDBSA-N 2 1 363.458 2.694 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492826 520416178 /nfs/dbraw/zinc/41/61/78/520416178.db2.gz DJZLNBOLVZQACJ-OWCLPIDISA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900788 520807377 /nfs/dbraw/zinc/80/73/77/520807377.db2.gz LFQWOIBPDUZOLK-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901451 520808193 /nfs/dbraw/zinc/80/81/93/520808193.db2.gz WHJYQDZABYKXMV-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551618 521407560 /nfs/dbraw/zinc/40/75/60/521407560.db2.gz QOANQEQRUCCKOR-UHFFFAOYSA-N 2 1 358.446 2.534 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000602716927 521493915 /nfs/dbraw/zinc/49/39/15/521493915.db2.gz VHZGBUOZWGPPGI-KRWDZBQOSA-N 2 1 373.501 2.670 20 5 FFBDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262056390 965697602 /nfs/dbraw/zinc/69/76/02/965697602.db2.gz QQQVOQGZLMTAEH-UHFFFAOYSA-N 2 1 355.442 2.571 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000876920664 1014420707 /nfs/dbraw/zinc/42/07/07/1014420707.db2.gz ZLZIHUOZRRJWRT-UHFFFAOYSA-N 2 1 369.469 2.792 20 5 FFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665873 1014667919 /nfs/dbraw/zinc/66/79/19/1014667919.db2.gz MLCJIHVSHAORBM-XMZVIZOASA-N 2 1 369.469 2.853 20 5 FFBDMP CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000764144206 984314779 /nfs/dbraw/zinc/31/47/79/984314779.db2.gz WGSDXLCGQUABLB-INIZCTEOSA-N 2 1 369.469 2.748 20 5 FFBDMP CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000764144206 984314780 /nfs/dbraw/zinc/31/47/80/984314780.db2.gz WGSDXLCGQUABLB-INIZCTEOSA-N 2 1 369.469 2.748 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394091 988554322 /nfs/dbraw/zinc/55/43/22/988554322.db2.gz UQMNQMNQMNXRAM-AFYVEPGGSA-N 2 1 361.486 2.863 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@@H]1C(C)C ZINC000922395034 988556669 /nfs/dbraw/zinc/55/66/69/988556669.db2.gz PXTJJXHWUROENQ-RSPOEFSDSA-N 2 1 361.486 2.863 20 5 FFBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258793 1015791359 /nfs/dbraw/zinc/79/13/59/1015791359.db2.gz CJZBVHCDOICJKG-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP COc1ccc(C[C@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317450 1003107724 /nfs/dbraw/zinc/10/77/24/1003107724.db2.gz ITLUYHQHJFYQCW-BPUTZDHNSA-N 2 1 363.458 2.505 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866232336 1010956410 /nfs/dbraw/zinc/95/64/10/1010956410.db2.gz JZRDSYJKOKIWDU-INIZCTEOSA-N 2 1 366.481 2.672 20 5 FFBDMP Cc1c[nH+]c(CC[NH3+])n1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011868 1012181492 /nfs/dbraw/zinc/18/14/92/1012181492.db2.gz MOZCGNNAEOGHPA-UHFFFAOYSA-N 2 1 365.384 2.721 20 5 FFBDMP Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245847799 1025560726 /nfs/dbraw/zinc/56/07/26/1025560726.db2.gz ISXOBDSLDZCVEF-UGSOOPFHSA-N 2 1 354.414 2.990 20 5 FFBDMP Cc1nn(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245847799 1025560733 /nfs/dbraw/zinc/56/07/33/1025560733.db2.gz ISXOBDSLDZCVEF-UGSOOPFHSA-N 2 1 354.414 2.990 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246607643 1039412373 /nfs/dbraw/zinc/41/23/73/1039412373.db2.gz HCILMXCHDBYXQX-HXUWFJFHSA-N 2 1 374.485 2.790 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310294 1046864468 /nfs/dbraw/zinc/86/44/68/1046864468.db2.gz BEUHSUNAFDZKTB-UHFFFAOYSA-N 2 1 360.458 2.697 20 5 FFBDMP Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272889074 252157991 /nfs/dbraw/zinc/15/79/91/252157991.db2.gz XKIKNVSJJCKAFJ-UHFFFAOYSA-N 2 1 358.442 2.734 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000157400834 508562460 /nfs/dbraw/zinc/56/24/60/508562460.db2.gz GPWNKSIBRCIGQU-MRXNPFEDSA-N 2 1 360.458 2.874 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049814 508798850 /nfs/dbraw/zinc/79/88/50/508798850.db2.gz DXPAQWSPXZTRNV-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049814 508798853 /nfs/dbraw/zinc/79/88/53/508798853.db2.gz DXPAQWSPXZTRNV-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049814 508798857 /nfs/dbraw/zinc/79/88/57/508798857.db2.gz DXPAQWSPXZTRNV-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247302650 510856253 /nfs/dbraw/zinc/85/62/53/510856253.db2.gz UVHXXHFGUIQRJF-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282401964 510961797 /nfs/dbraw/zinc/96/17/97/510961797.db2.gz RRCHNHCBCGJNNM-OAHLLOKOSA-N 2 1 364.490 2.670 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478876 510993452 /nfs/dbraw/zinc/99/34/52/510993452.db2.gz LMFNXSRCCSLQGD-WMLDXEAASA-N 2 1 353.438 2.961 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478876 510993457 /nfs/dbraw/zinc/99/34/57/510993457.db2.gz LMFNXSRCCSLQGD-WMLDXEAASA-N 2 1 353.438 2.961 20 5 FFBDMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133251 511478092 /nfs/dbraw/zinc/47/80/92/511478092.db2.gz LLBYWPTWHQNPIO-LJQANCHMSA-N 2 1 356.426 2.820 20 5 FFBDMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133251 511478098 /nfs/dbraw/zinc/47/80/98/511478098.db2.gz LLBYWPTWHQNPIO-LJQANCHMSA-N 2 1 356.426 2.820 20 5 FFBDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133251 511478108 /nfs/dbraw/zinc/47/81/08/511478108.db2.gz LLBYWPTWHQNPIO-LJQANCHMSA-N 2 1 356.426 2.820 20 5 FFBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385715 513572571 /nfs/dbraw/zinc/57/25/71/513572571.db2.gz SVOSMIFXQFURAJ-WBAXXEDZSA-N 2 1 355.442 2.555 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000442928601 513816639 /nfs/dbraw/zinc/81/66/39/513816639.db2.gz QCPRWDSVMUXROZ-LLVKDONJSA-N 2 1 359.373 2.766 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468643169 515450049 /nfs/dbraw/zinc/45/00/49/515450049.db2.gz OHZACYOTRQUFAH-NRMGUKERSA-N 2 1 374.485 2.530 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468643169 515450059 /nfs/dbraw/zinc/45/00/59/515450059.db2.gz OHZACYOTRQUFAH-NRMGUKERSA-N 2 1 374.485 2.530 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000478037376 515675736 /nfs/dbraw/zinc/67/57/36/515675736.db2.gz PQYZSWYADXDWNJ-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000478037376 515675745 /nfs/dbraw/zinc/67/57/45/515675745.db2.gz PQYZSWYADXDWNJ-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000478037376 515675755 /nfs/dbraw/zinc/67/57/55/515675755.db2.gz PQYZSWYADXDWNJ-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000478037376 515675762 /nfs/dbraw/zinc/67/57/62/515675762.db2.gz PQYZSWYADXDWNJ-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789549 515968179 /nfs/dbraw/zinc/96/81/79/515968179.db2.gz YUHBGXAFAWJMQL-WBVHZDCISA-N 2 1 365.474 2.830 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789549 515968187 /nfs/dbraw/zinc/96/81/87/515968187.db2.gz YUHBGXAFAWJMQL-WBVHZDCISA-N 2 1 365.474 2.830 20 5 FFBDMP Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264231 517611386 /nfs/dbraw/zinc/61/13/86/517611386.db2.gz ILTWQBYCSMPYHP-ZBFHGGJFSA-N 2 1 356.426 2.751 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068132 517902127 /nfs/dbraw/zinc/90/21/27/517902127.db2.gz MCYZCBOCMUOTDH-KBPBESRZSA-N 2 1 359.430 2.743 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000594736555 520122804 /nfs/dbraw/zinc/12/28/04/520122804.db2.gz RRRXQLUHUIUDBF-OAHLLOKOSA-N 2 1 363.458 2.824 20 5 FFBDMP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430725 520262436 /nfs/dbraw/zinc/26/24/36/520262436.db2.gz UNWHSWCAZYANGC-SJLPKXTDSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430725 520262443 /nfs/dbraw/zinc/26/24/43/520262443.db2.gz UNWHSWCAZYANGC-SJLPKXTDSA-N 2 1 357.458 2.500 20 5 FFBDMP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000595299441 520393326 /nfs/dbraw/zinc/39/33/26/520393326.db2.gz ZMCCKQSCTMJEDP-UHFFFAOYSA-N 2 1 351.422 2.668 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492977 520415343 /nfs/dbraw/zinc/41/53/43/520415343.db2.gz KEERMHCJHQPWRL-HZPDHXFCSA-N 2 1 360.458 2.635 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493001 520415974 /nfs/dbraw/zinc/41/59/74/520415974.db2.gz LGPCFSNHDHSLQE-IRXDYDNUSA-N 2 1 374.485 2.943 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000601188979 520679677 /nfs/dbraw/zinc/67/96/77/520679677.db2.gz DJGZZTOEQYNVQN-OAHLLOKOSA-N 2 1 356.426 2.834 20 5 FFBDMP CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000602780962 521529549 /nfs/dbraw/zinc/52/95/49/521529549.db2.gz FOBRZWKGXURKGY-UHFFFAOYSA-N 2 1 372.473 2.733 20 5 FFBDMP O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c2c(c1)COCO2 ZINC000602846487 521566832 /nfs/dbraw/zinc/56/68/32/521566832.db2.gz QPDJVYRNPDRSSR-UHFFFAOYSA-N 2 1 370.409 2.569 20 5 FFBDMP COc1c[nH+]ccc1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619516679 521604907 /nfs/dbraw/zinc/60/49/07/521604907.db2.gz ZKHVBOGZXPEEMF-UHFFFAOYSA-N 2 1 372.425 2.590 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385383 738134779 /nfs/dbraw/zinc/13/47/79/738134779.db2.gz ASZDZKJNAYTHMH-ZJPYXAASSA-N 2 1 367.877 2.818 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339930 742265017 /nfs/dbraw/zinc/26/50/17/742265017.db2.gz GFBBXEAJEPIENJ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388225 747822199 /nfs/dbraw/zinc/82/21/99/747822199.db2.gz LPLSFYWREVXEDF-STQMWFEESA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388225 747822202 /nfs/dbraw/zinc/82/22/02/747822202.db2.gz LPLSFYWREVXEDF-STQMWFEESA-N 2 1 366.849 2.508 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC001206042656 1032120417 /nfs/dbraw/zinc/12/04/17/1032120417.db2.gz ZGURVKCHWVCKTK-FQEVSTJZSA-N 2 1 361.486 2.696 20 5 FFBDMP C[NH+](C)CCCC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504639 1006417221 /nfs/dbraw/zinc/41/72/21/1006417221.db2.gz BYMRTQPKRRUVNL-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP CC1(C)[C@@H](O)CC[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001182009014 1010357886 /nfs/dbraw/zinc/35/78/86/1010357886.db2.gz XRIOVZFGOVULAP-IBGZPJMESA-N 2 1 361.486 2.695 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001173191016 1012331815 /nfs/dbraw/zinc/33/18/15/1012331815.db2.gz ZNNGHEUQVGLGSF-CYBMUJFWSA-N 2 1 353.438 2.947 20 5 FFBDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958149 1020330941 /nfs/dbraw/zinc/33/09/41/1020330941.db2.gz MGUPOTMDQUUMFV-OAHLLOKOSA-N 2 1 352.398 2.639 20 5 FFBDMP Cn1ccnc1[C@@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958149 1020330949 /nfs/dbraw/zinc/33/09/49/1020330949.db2.gz MGUPOTMDQUUMFV-OAHLLOKOSA-N 2 1 352.398 2.639 20 5 FFBDMP Cc1nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000092295473 1027259960 /nfs/dbraw/zinc/25/99/60/1027259960.db2.gz ZEVNQBMKUNRNDH-UHFFFAOYSA-N 2 1 372.473 2.999 20 5 FFBDMP Cc1nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000092295473 1027259977 /nfs/dbraw/zinc/25/99/77/1027259977.db2.gz ZEVNQBMKUNRNDH-UHFFFAOYSA-N 2 1 372.473 2.999 20 5 FFBDMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843352558 1031345541 /nfs/dbraw/zinc/34/55/41/1031345541.db2.gz NDINPJYDUGSLJX-UHFFFAOYSA-N 2 1 364.421 2.527 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179695 1031682856 /nfs/dbraw/zinc/68/28/56/1031682856.db2.gz RLRDPYCTFLAMQT-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179695 1031682872 /nfs/dbraw/zinc/68/28/72/1031682872.db2.gz RLRDPYCTFLAMQT-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001327090259 1047185521 /nfs/dbraw/zinc/18/55/21/1047185521.db2.gz RWAANMYUPCXQRU-HNNXBMFYSA-N 2 1 360.458 2.696 20 5 FFBDMP C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001308039587 1052389927 /nfs/dbraw/zinc/38/99/27/1052389927.db2.gz GYAIJBWHDJGRQC-INIZCTEOSA-N 2 1 356.426 2.969 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000129094366 508682094 /nfs/dbraw/zinc/68/20/94/508682094.db2.gz RRUJPDWJIDBPPS-CXAGYDPISA-N 2 1 366.437 2.725 20 5 FFBDMP O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357659 509480372 /nfs/dbraw/zinc/48/03/72/509480372.db2.gz GMSVPQZUJDRPMX-IBGZPJMESA-N 2 1 355.438 2.976 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732716 510759528 /nfs/dbraw/zinc/75/95/28/510759528.db2.gz BKGBFXCQFXPPOC-ZBFHGGJFSA-N 2 1 351.447 2.644 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732716 510759531 /nfs/dbraw/zinc/75/95/31/510759531.db2.gz BKGBFXCQFXPPOC-ZBFHGGJFSA-N 2 1 351.447 2.644 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732716 510759536 /nfs/dbraw/zinc/75/95/36/510759536.db2.gz BKGBFXCQFXPPOC-ZBFHGGJFSA-N 2 1 351.447 2.644 20 5 FFBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293877190 510884859 /nfs/dbraw/zinc/88/48/59/510884859.db2.gz SZYNGGNNOCEQCU-UHFFFAOYSA-N 2 1 374.407 2.683 20 5 FFBDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295429 511672978 /nfs/dbraw/zinc/67/29/78/511672978.db2.gz YHCXFSSZAIBKEO-OAHLLOKOSA-N 2 1 370.453 2.860 20 5 FFBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386027 514119902 /nfs/dbraw/zinc/11/99/02/514119902.db2.gz UILVMZZKRCRUEF-RDJZCZTQSA-N 2 1 353.850 2.967 20 5 FFBDMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874740 517881813 /nfs/dbraw/zinc/88/18/13/517881813.db2.gz CNFVDSZWJQOFIN-WCFLWFBJSA-N 2 1 371.384 2.764 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874740 517881827 /nfs/dbraw/zinc/88/18/27/517881827.db2.gz CNFVDSZWJQOFIN-WCFLWFBJSA-N 2 1 371.384 2.764 20 5 FFBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000563900295 518220210 /nfs/dbraw/zinc/22/02/10/518220210.db2.gz DYHVSBHHJUVCTA-HNNXBMFYSA-N 2 1 357.458 2.815 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899814 518775175 /nfs/dbraw/zinc/77/51/75/518775175.db2.gz XZTUVTZILCPDDS-GOEBONIOSA-N 2 1 360.458 2.552 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229732 519382270 /nfs/dbraw/zinc/38/22/70/519382270.db2.gz MLIHAHPWISUXSB-IAGOWNOFSA-N 2 1 369.469 2.817 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493946 520415419 /nfs/dbraw/zinc/41/54/19/520415419.db2.gz WWLSEFSGXPFWDB-IAGOWNOFSA-N 2 1 374.485 2.943 20 5 FFBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595469668 520491050 /nfs/dbraw/zinc/49/10/50/520491050.db2.gz IUZKHLNZIHBBOC-QGZVFWFLSA-N 2 1 363.458 2.550 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cn1 ZINC000602710442 521489428 /nfs/dbraw/zinc/48/94/28/521489428.db2.gz LGIIGBGJMJSFCM-KRWDZBQOSA-N 2 1 373.501 2.955 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cn1 ZINC000602710442 521489434 /nfs/dbraw/zinc/48/94/34/521489434.db2.gz LGIIGBGJMJSFCM-KRWDZBQOSA-N 2 1 373.501 2.955 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000866347745 731051105 /nfs/dbraw/zinc/05/11/05/731051105.db2.gz JJGPLIOGPRYKTC-HUUCEWRRSA-N 2 1 353.438 2.755 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000866347745 731051109 /nfs/dbraw/zinc/05/11/09/731051109.db2.gz JJGPLIOGPRYKTC-HUUCEWRRSA-N 2 1 353.438 2.755 20 5 FFBDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103850 747270223 /nfs/dbraw/zinc/27/02/23/747270223.db2.gz KXLXPKNBUSFDJK-WMLDXEAASA-N 2 1 353.850 2.967 20 5 FFBDMP CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC000843360727 747817612 /nfs/dbraw/zinc/81/76/12/747817612.db2.gz NAICPWSYJFQKQS-UHFFFAOYSA-N 2 1 352.410 2.527 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364253 747818288 /nfs/dbraw/zinc/81/82/88/747818288.db2.gz WZIWPVSNDJCEEQ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364253 747818292 /nfs/dbraw/zinc/81/82/92/747818292.db2.gz WZIWPVSNDJCEEQ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377844 747820808 /nfs/dbraw/zinc/82/08/08/747820808.db2.gz OTRIBGCUPILWDR-NEPJUHHUSA-N 2 1 354.838 2.636 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377844 747820814 /nfs/dbraw/zinc/82/08/14/747820814.db2.gz OTRIBGCUPILWDR-NEPJUHHUSA-N 2 1 354.838 2.636 20 5 FFBDMP CCN(C)[C@@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441642 1002601821 /nfs/dbraw/zinc/60/18/21/1002601821.db2.gz YSTJWRDHXUGQSV-OAQYLSRUSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@H+](C)[C@@H]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441642 1002601827 /nfs/dbraw/zinc/60/18/27/1002601827.db2.gz YSTJWRDHXUGQSV-OAQYLSRUSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@@H+](C)[C@@H]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441642 1002601833 /nfs/dbraw/zinc/60/18/33/1002601833.db2.gz YSTJWRDHXUGQSV-OAQYLSRUSA-N 2 1 374.529 2.875 20 5 FFBDMP CC(C)[N@@H+](CCC[NH3+])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011805 1012182198 /nfs/dbraw/zinc/18/21/98/1012182198.db2.gz KGGVIZRWFYUOCL-UHFFFAOYSA-N 2 1 356.417 2.901 20 5 FFBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014928 1012185962 /nfs/dbraw/zinc/18/59/62/1012185962.db2.gz WOZUKYJIEWLORX-SJKOYZFVSA-N 2 1 368.428 2.772 20 5 FFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014928 1012185972 /nfs/dbraw/zinc/18/59/72/1012185972.db2.gz WOZUKYJIEWLORX-SJKOYZFVSA-N 2 1 368.428 2.772 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC001173179431 1012321611 /nfs/dbraw/zinc/32/16/11/1012321611.db2.gz PKGOYWGQDOFAQC-KGLIPLIRSA-N 2 1 353.438 2.995 20 5 FFBDMP C[NH+](C)/C=C/c1cc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ncc1[N+](=O)[O-] ZINC001163221951 1028843949 /nfs/dbraw/zinc/84/39/49/1028843949.db2.gz PBKAZBYMXABLRS-BQYQJAHWSA-N 2 1 364.409 2.834 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178768 1031681562 /nfs/dbraw/zinc/68/15/62/1031681562.db2.gz JJFKYWZAGIKHQP-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178768 1031681568 /nfs/dbraw/zinc/68/15/68/1031681568.db2.gz JJFKYWZAGIKHQP-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094100 1038378502 /nfs/dbraw/zinc/37/85/02/1038378502.db2.gz GLKVUSRFMHFCRX-YOEHRIQHSA-N 2 1 362.474 2.502 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094100 1038378513 /nfs/dbraw/zinc/37/85/13/1038378513.db2.gz GLKVUSRFMHFCRX-YOEHRIQHSA-N 2 1 362.474 2.502 20 5 FFBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC001262379322 1041667091 /nfs/dbraw/zinc/66/70/91/1041667091.db2.gz XKKICSZPKPPPRS-IIAWOOMASA-N 2 1 361.442 2.528 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276638 1046843783 /nfs/dbraw/zinc/84/37/83/1046843783.db2.gz DDKHMPKRFIQBDF-UHFFFAOYSA-N 2 1 360.458 2.697 20 5 FFBDMP Cn1ccnc1[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848482202 1060117349 /nfs/dbraw/zinc/11/73/49/1060117349.db2.gz KBBQSRDLRVQGPB-AWEZNQCLSA-N 2 1 352.398 2.639 20 5 FFBDMP Cn1ccnc1[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848482202 1060117359 /nfs/dbraw/zinc/11/73/59/1060117359.db2.gz KBBQSRDLRVQGPB-AWEZNQCLSA-N 2 1 352.398 2.639 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332376382 258227660 /nfs/dbraw/zinc/22/76/60/258227660.db2.gz DMYHZUNTEYFCHK-UWVAXJGDSA-N 2 1 360.502 2.922 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332376382 258227661 /nfs/dbraw/zinc/22/76/61/258227661.db2.gz DMYHZUNTEYFCHK-UWVAXJGDSA-N 2 1 360.502 2.922 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864600 512224237 /nfs/dbraw/zinc/22/42/37/512224237.db2.gz LMAWRGLVBXKCCG-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245563 512305506 /nfs/dbraw/zinc/30/55/06/512305506.db2.gz YPZBNIJKYJIIBM-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245563 512305510 /nfs/dbraw/zinc/30/55/10/512305510.db2.gz YPZBNIJKYJIIBM-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847281 507341704 /nfs/dbraw/zinc/34/17/04/507341704.db2.gz ZWGXKRHKHIOCOP-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000267081283 509338591 /nfs/dbraw/zinc/33/85/91/509338591.db2.gz YAXHDUNOBHVKKW-UHFFFAOYSA-N 2 1 351.422 2.811 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440540 509935327 /nfs/dbraw/zinc/93/53/27/509935327.db2.gz UPSVCKKXTQQYLP-WMLDXEAASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440540 509935331 /nfs/dbraw/zinc/93/53/31/509935331.db2.gz UPSVCKKXTQQYLP-WMLDXEAASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440540 509935335 /nfs/dbraw/zinc/93/53/35/509935335.db2.gz UPSVCKKXTQQYLP-WMLDXEAASA-N 2 1 362.474 2.894 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000268962973 510162566 /nfs/dbraw/zinc/16/25/66/510162566.db2.gz XTKZXXZCQCZLRP-RTBURBONSA-N 2 1 361.486 2.742 20 5 FFBDMP C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254816 510392633 /nfs/dbraw/zinc/39/26/33/510392633.db2.gz JXYLTASMCOKQSE-CXAGYDPISA-N 2 1 358.398 2.741 20 5 FFBDMP C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254816 510392637 /nfs/dbraw/zinc/39/26/37/510392637.db2.gz JXYLTASMCOKQSE-CXAGYDPISA-N 2 1 358.398 2.741 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475041 510509706 /nfs/dbraw/zinc/50/97/06/510509706.db2.gz GEZRZMHTPNXOPD-YJBOKZPZSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475041 510509711 /nfs/dbraw/zinc/50/97/11/510509711.db2.gz GEZRZMHTPNXOPD-YJBOKZPZSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475041 510509719 /nfs/dbraw/zinc/50/97/19/510509719.db2.gz GEZRZMHTPNXOPD-YJBOKZPZSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475041 510509725 /nfs/dbraw/zinc/50/97/25/510509725.db2.gz GEZRZMHTPNXOPD-YJBOKZPZSA-N 2 1 372.469 2.872 20 5 FFBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390790 510958460 /nfs/dbraw/zinc/95/84/60/510958460.db2.gz DMJUZKAXDUQZAW-KRWDZBQOSA-N 2 1 357.458 2.682 20 5 FFBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390790 510958463 /nfs/dbraw/zinc/95/84/63/510958463.db2.gz DMJUZKAXDUQZAW-KRWDZBQOSA-N 2 1 357.458 2.682 20 5 FFBDMP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282401959 510962223 /nfs/dbraw/zinc/96/22/23/510962223.db2.gz RRCHNHCBCGJNNM-HNNXBMFYSA-N 2 1 364.490 2.670 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532478902 516996872 /nfs/dbraw/zinc/99/68/72/516996872.db2.gz WXJKDWXNGNYDIJ-LJQANCHMSA-N 2 1 374.485 2.754 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594976288 520237890 /nfs/dbraw/zinc/23/78/90/520237890.db2.gz YTJAYEQWZNZNKU-GECPCNCSSA-N 2 1 367.449 2.964 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478717 520407629 /nfs/dbraw/zinc/40/76/29/520407629.db2.gz ITGSKIVCVWQHOH-MAUKXSAKSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900646 520804719 /nfs/dbraw/zinc/80/47/19/520804719.db2.gz IYHXWEGWCTVBBN-KRWDZBQOSA-N 2 1 374.485 2.943 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000903496711 736102480 /nfs/dbraw/zinc/10/24/80/736102480.db2.gz ZRJPJTDLUYYDCD-GHMZBOCLSA-N 2 1 359.373 2.622 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386157 747821531 /nfs/dbraw/zinc/82/15/31/747821531.db2.gz ILGXSULBZSQGBQ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903348 748133331 /nfs/dbraw/zinc/13/33/31/748133331.db2.gz XQEUCXROZXHCAV-XGWLTEMNSA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000765845234 986710339 /nfs/dbraw/zinc/71/03/39/986710339.db2.gz OJHZDYYZDVNYIJ-NRFANRHFSA-N 2 1 369.465 2.925 20 5 FFBDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000879286923 1015461282 /nfs/dbraw/zinc/46/12/82/1015461282.db2.gz ZDEHYDDCELRQQE-UHFFFAOYSA-N 2 1 366.437 2.869 20 5 FFBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001169019594 1000017585 /nfs/dbraw/zinc/01/75/85/1000017585.db2.gz GSNAMIYUYWHECH-UXHICEINSA-N 2 1 373.497 2.799 20 5 FFBDMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000886714746 1008840759 /nfs/dbraw/zinc/84/07/59/1008840759.db2.gz SXXBIPGNYFGPJX-UHFFFAOYSA-N 2 1 360.458 2.874 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000799178913 1031683503 /nfs/dbraw/zinc/68/35/03/1031683503.db2.gz QTFZVNLQITXIMM-UHFFFAOYSA-N 2 1 363.458 2.790 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001246558631 1039395940 /nfs/dbraw/zinc/39/59/40/1039395940.db2.gz NNNRYOPMYMLWTA-SJKOYZFVSA-N 2 1 357.401 2.826 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001246561239 1039399411 /nfs/dbraw/zinc/39/94/11/1039399411.db2.gz JPOMULALJUZDSG-HZSPNIEDSA-N 2 1 353.438 2.980 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001254547832 1040790912 /nfs/dbraw/zinc/79/09/12/1040790912.db2.gz YFTARMGEFNBGFP-INIZCTEOSA-N 2 1 354.454 2.957 20 5 FFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357632 509479515 /nfs/dbraw/zinc/47/95/15/509479515.db2.gz FWPNEMPFRIDJBM-FQEVSTJZSA-N 2 1 355.438 2.976 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389423 510126334 /nfs/dbraw/zinc/12/63/34/510126334.db2.gz VSFDCAKGHYDGLV-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246546181 510548427 /nfs/dbraw/zinc/54/84/27/510548427.db2.gz AVESPDCOWVNIJK-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246546181 510548433 /nfs/dbraw/zinc/54/84/33/510548433.db2.gz AVESPDCOWVNIJK-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246546181 510548445 /nfs/dbraw/zinc/54/84/45/510548445.db2.gz AVESPDCOWVNIJK-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517298 512538711 /nfs/dbraw/zinc/53/87/11/512538711.db2.gz KWCRFFPMYHYKAU-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517298 512538715 /nfs/dbraw/zinc/53/87/15/512538715.db2.gz KWCRFFPMYHYKAU-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)CC1 ZINC000374075257 512650712 /nfs/dbraw/zinc/65/07/12/512650712.db2.gz RKKISCPFLWAEFT-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337907 514099191 /nfs/dbraw/zinc/09/91/91/514099191.db2.gz KGIVPCZRRJQGCY-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP CN(CCN1CCN(Cc2ccccc2)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000511859393 516056531 /nfs/dbraw/zinc/05/65/31/516056531.db2.gz MSBHYOWFQGBCNM-UHFFFAOYSA-N 2 1 374.510 2.906 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336515 517711027 /nfs/dbraw/zinc/71/10/27/517711027.db2.gz NZKGOHLRWPNWCD-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336515 517711039 /nfs/dbraw/zinc/71/10/39/517711039.db2.gz NZKGOHLRWPNWCD-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578533268 518255191 /nfs/dbraw/zinc/25/51/91/518255191.db2.gz ZIEXNGCDWNZOGV-FCEWJHQRSA-N 2 1 374.485 2.544 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000574414796 519145651 /nfs/dbraw/zinc/14/56/51/519145651.db2.gz OVLQTSHSJXCXSJ-YSIASYRMSA-N 2 1 359.470 2.940 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426368 520386136 /nfs/dbraw/zinc/38/61/36/520386136.db2.gz ZHRASMKHLCLPAC-LPHOPBHVSA-N 2 1 369.469 2.959 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426368 520386143 /nfs/dbraw/zinc/38/61/43/520386143.db2.gz ZHRASMKHLCLPAC-LPHOPBHVSA-N 2 1 369.469 2.959 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492895 520416009 /nfs/dbraw/zinc/41/60/09/520416009.db2.gz GSGLSVLTSAUBAH-IAGOWNOFSA-N 2 1 374.485 2.943 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316000 520902708 /nfs/dbraw/zinc/90/27/08/520902708.db2.gz OKTRDCMNEGDRMU-CPUCHLNUSA-N 2 1 353.850 2.967 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000602653090 521459010 /nfs/dbraw/zinc/45/90/10/521459010.db2.gz ARRRIZSWGJCNOC-UHFFFAOYSA-N 2 1 374.407 2.729 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863573609 730791551 /nfs/dbraw/zinc/79/15/51/730791551.db2.gz BQGCTTHXJFADAA-INIZCTEOSA-N 2 1 353.850 2.839 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903508671 736103895 /nfs/dbraw/zinc/10/38/95/736103895.db2.gz QDWVXXDWWRUBQP-CALCHBBNSA-N 2 1 364.877 2.649 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000768100855 737397719 /nfs/dbraw/zinc/39/77/19/737397719.db2.gz DFSOZXIAKWMJTG-OWCLPIDISA-N 2 1 365.499 2.918 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000768100855 737397722 /nfs/dbraw/zinc/39/77/22/737397722.db2.gz DFSOZXIAKWMJTG-OWCLPIDISA-N 2 1 365.499 2.918 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099184 747268855 /nfs/dbraw/zinc/26/88/55/747268855.db2.gz GVESTRXOAPKMBQ-WBVHZDCISA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000842476465 747613185 /nfs/dbraw/zinc/61/31/85/747613185.db2.gz PDDSXWQJWBWLBN-MRXNPFEDSA-N 2 1 352.410 2.560 20 5 FFBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887132836 1009044881 /nfs/dbraw/zinc/04/48/81/1009044881.db2.gz OJEVFCLYYIPRDR-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910830 1012122981 /nfs/dbraw/zinc/12/29/81/1012122981.db2.gz OPAPHFQLCGMYNC-SESVDKBCSA-N 2 1 372.513 2.552 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001121039403 1023578375 /nfs/dbraw/zinc/57/83/75/1023578375.db2.gz SFMDQKHZRVZGAU-UHFFFAOYSA-N 2 1 356.426 2.880 20 5 FFBDMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001328493506 1048326811 /nfs/dbraw/zinc/32/68/11/1048326811.db2.gz WENHUYXHLMZSRI-UHFFFAOYSA-N 2 1 364.421 2.528 20 5 FFBDMP C[C@@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001474716620 1065587362 /nfs/dbraw/zinc/58/73/62/1065587362.db2.gz QXTASHSOYHETSI-QGZVFWFLSA-N 2 1 361.486 2.960 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864599 512224040 /nfs/dbraw/zinc/22/40/40/512224040.db2.gz LMAWRGLVBXKCCG-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884817 512233495 /nfs/dbraw/zinc/23/34/95/512233495.db2.gz ORNPEGMJPZCVMJ-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732734 510758973 /nfs/dbraw/zinc/75/89/73/510758973.db2.gz BKGBFXCQFXPPOC-GDBMZVCRSA-N 2 1 351.447 2.644 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732734 510758978 /nfs/dbraw/zinc/75/89/78/510758978.db2.gz BKGBFXCQFXPPOC-GDBMZVCRSA-N 2 1 351.447 2.644 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732734 510758982 /nfs/dbraw/zinc/75/89/82/510758982.db2.gz BKGBFXCQFXPPOC-GDBMZVCRSA-N 2 1 351.447 2.644 20 5 FFBDMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000271121912 511088678 /nfs/dbraw/zinc/08/86/78/511088678.db2.gz JQQCFQPGGNMJJK-RDJZCZTQSA-N 2 1 365.474 2.881 20 5 FFBDMP CC(=O)c1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000367330815 512448323 /nfs/dbraw/zinc/44/83/23/512448323.db2.gz BNBYDMMESQJQBO-BYICEURKSA-N 2 1 372.469 2.545 20 5 FFBDMP [NH3+]CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000420324943 514094429 /nfs/dbraw/zinc/09/44/29/514094429.db2.gz VXFKXCAUTJPLNY-UHFFFAOYSA-N 2 1 360.483 2.790 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000417338917 514300931 /nfs/dbraw/zinc/30/09/31/514300931.db2.gz ZPOXOYVKTJLEQZ-IBGZPJMESA-N 2 1 360.502 2.978 20 5 FFBDMP [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CCN(Cc2ccccc2)CC1 ZINC000415136257 514461989 /nfs/dbraw/zinc/46/19/89/514461989.db2.gz RCIVXBYPMLGBRV-UHFFFAOYSA-N 2 1 372.444 2.817 20 5 FFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919891 514845694 /nfs/dbraw/zinc/84/56/94/514845694.db2.gz MFPHFDPDUJCQFH-GJZGRUSLSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919891 514845704 /nfs/dbraw/zinc/84/57/04/514845704.db2.gz MFPHFDPDUJCQFH-GJZGRUSLSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919891 514845717 /nfs/dbraw/zinc/84/57/17/514845717.db2.gz MFPHFDPDUJCQFH-GJZGRUSLSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919891 514845728 /nfs/dbraw/zinc/84/57/28/514845728.db2.gz MFPHFDPDUJCQFH-GJZGRUSLSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680995 515920534 /nfs/dbraw/zinc/92/05/34/515920534.db2.gz YRPYHYPMBKZNMY-HNNXBMFYSA-N 2 1 369.437 2.675 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680995 515920542 /nfs/dbraw/zinc/92/05/42/515920542.db2.gz YRPYHYPMBKZNMY-HNNXBMFYSA-N 2 1 369.437 2.675 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949861 517218780 /nfs/dbraw/zinc/21/87/80/517218780.db2.gz ZWYFIFLWKLDMPW-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532949861 517218793 /nfs/dbraw/zinc/21/87/93/517218793.db2.gz ZWYFIFLWKLDMPW-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271379 517377536 /nfs/dbraw/zinc/37/75/36/517377536.db2.gz JAFTXPQMIOSDML-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578533267 518254999 /nfs/dbraw/zinc/25/49/99/518254999.db2.gz ZIEXNGCDWNZOGV-BXWFABGCSA-N 2 1 374.485 2.544 20 5 FFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000579125614 518535414 /nfs/dbraw/zinc/53/54/14/518535414.db2.gz DVNMLSOQEKCZNZ-DJIMGWMZSA-N 2 1 356.426 2.852 20 5 FFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195499 518947017 /nfs/dbraw/zinc/94/70/17/518947017.db2.gz APUHAJUTOSPKKB-SUOMESGTSA-N 2 1 358.486 2.708 20 5 FFBDMP CC[N@H+]1CCC[C@@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527217 519294177 /nfs/dbraw/zinc/29/41/77/519294177.db2.gz RTIKRQIXQBCSFK-JNLAIUADSA-N 2 1 360.502 2.956 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876130 519942798 /nfs/dbraw/zinc/94/27/98/519942798.db2.gz FBIBXGWLSOBTMF-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000594525116 520014194 /nfs/dbraw/zinc/01/41/94/520014194.db2.gz RZFGFZUUNDWNHV-GOSISDBHSA-N 2 1 372.469 2.852 20 5 FFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000595036987 520264837 /nfs/dbraw/zinc/26/48/37/520264837.db2.gz ZACGCCMPWVGAQR-AWEZNQCLSA-N 2 1 374.441 2.790 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433772 520389186 /nfs/dbraw/zinc/38/91/86/520389186.db2.gz WNDVAYFTCRZBNS-CABCVRRESA-N 2 1 361.442 2.578 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478842 520406529 /nfs/dbraw/zinc/40/65/29/520406529.db2.gz KBSYNKOONYQHQZ-DOTOQJQBSA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492986 520416325 /nfs/dbraw/zinc/41/63/25/520416325.db2.gz LAFKKPKJURYOSQ-JKSUJKDBSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493036 520417076 /nfs/dbraw/zinc/41/70/76/520417076.db2.gz MUNIEVNUEFMLNL-PMPSAXMXSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900609 520805064 /nfs/dbraw/zinc/80/50/64/520805064.db2.gz IEADAWXVCBULGL-QGZVFWFLSA-N 2 1 374.485 2.943 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316002 520903807 /nfs/dbraw/zinc/90/38/07/520903807.db2.gz OKTRDCMNEGDRMU-VBQJREDUSA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596787153 521283733 /nfs/dbraw/zinc/28/37/33/521283733.db2.gz GARFUHAHSNZTQS-AWEZNQCLSA-N 2 1 365.478 2.605 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596787153 521283737 /nfs/dbraw/zinc/28/37/37/521283737.db2.gz GARFUHAHSNZTQS-AWEZNQCLSA-N 2 1 365.478 2.605 20 5 FFBDMP CN(CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711779437 964264524 /nfs/dbraw/zinc/26/45/24/964264524.db2.gz NKUAKRMBWSVEAM-NRFANRHFSA-N 2 1 369.465 2.706 20 5 FFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000711779437 964264541 /nfs/dbraw/zinc/26/45/41/964264541.db2.gz NKUAKRMBWSVEAM-NRFANRHFSA-N 2 1 369.465 2.706 20 5 FFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000711779437 964264553 /nfs/dbraw/zinc/26/45/53/964264553.db2.gz NKUAKRMBWSVEAM-NRFANRHFSA-N 2 1 369.465 2.706 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@@H]1C(C)C ZINC000922392710 988553447 /nfs/dbraw/zinc/55/34/47/988553447.db2.gz GOGRAJNCOPJJOR-YRXWBPOGSA-N 2 1 365.449 2.693 20 5 FFBDMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886714995 1008840002 /nfs/dbraw/zinc/84/00/02/1008840002.db2.gz ZSEUWGIXHJNDDD-UHFFFAOYSA-N 2 1 360.458 2.874 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC001179849835 1009470022 /nfs/dbraw/zinc/47/00/22/1009470022.db2.gz KDDDNGHAYFALCB-LJQANCHMSA-N 2 1 361.486 2.554 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363262 1031356719 /nfs/dbraw/zinc/35/67/19/1031356719.db2.gz UVFASRNUZDALMQ-XJKSGUPXSA-N 2 1 364.421 2.527 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101474 1038386669 /nfs/dbraw/zinc/38/66/69/1038386669.db2.gz JTUJNEQQVTXINC-HXUWFJFHSA-N 2 1 374.485 2.600 20 5 FFBDMP COc1cc(N2CCC([NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101474 1038386681 /nfs/dbraw/zinc/38/66/81/1038386681.db2.gz JTUJNEQQVTXINC-HXUWFJFHSA-N 2 1 374.485 2.600 20 5 FFBDMP COc1cc(N2CCC([NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101474 1038386696 /nfs/dbraw/zinc/38/66/96/1038386696.db2.gz JTUJNEQQVTXINC-HXUWFJFHSA-N 2 1 374.485 2.600 20 5 FFBDMP C[C@H]1C[C@@H](O)C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001462350176 1061590338 /nfs/dbraw/zinc/59/03/38/1061590338.db2.gz FFORYQFGFNXNJG-OXJNMPFZSA-N 2 1 361.486 2.552 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105442856 250213326 /nfs/dbraw/zinc/21/33/26/250213326.db2.gz XUEJZXRMVCCASL-CQSZACIVSA-N 2 1 368.441 2.926 20 5 FFBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335376 512339182 /nfs/dbraw/zinc/33/91/82/512339182.db2.gz JVUMXUPXUYEJOG-XZXOBPBMSA-N 2 1 358.486 2.708 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157289196 508547562 /nfs/dbraw/zinc/54/75/62/508547562.db2.gz YXQNRIWIENUYGN-KRWDZBQOSA-N 2 1 360.458 2.874 20 5 FFBDMP C[NH+](C)CCN1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000124334634 508817258 /nfs/dbraw/zinc/81/72/58/508817258.db2.gz ILEKRRCMDPQJAO-HXUWFJFHSA-N 2 1 374.529 2.779 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000238067188 509813326 /nfs/dbraw/zinc/81/33/26/509813326.db2.gz JBEQKLSDHNTODA-AWEZNQCLSA-N 2 1 361.467 2.870 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503802 510525414 /nfs/dbraw/zinc/52/54/14/510525414.db2.gz HWCVXQRWTPCDGW-HNAYVOBHSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503802 510525418 /nfs/dbraw/zinc/52/54/18/510525418.db2.gz HWCVXQRWTPCDGW-HNAYVOBHSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503802 510525422 /nfs/dbraw/zinc/52/54/22/510525422.db2.gz HWCVXQRWTPCDGW-HNAYVOBHSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503802 510525428 /nfs/dbraw/zinc/52/54/28/510525428.db2.gz HWCVXQRWTPCDGW-HNAYVOBHSA-N 2 1 372.469 2.872 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781861 510870481 /nfs/dbraw/zinc/87/04/81/510870481.db2.gz XTBUISOICGAPIQ-CKEIUWERSA-N 2 1 357.414 2.701 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781861 510870482 /nfs/dbraw/zinc/87/04/82/510870482.db2.gz XTBUISOICGAPIQ-CKEIUWERSA-N 2 1 357.414 2.701 20 5 FFBDMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000271121909 511088888 /nfs/dbraw/zinc/08/88/88/511088888.db2.gz JQQCFQPGGNMJJK-NVXWUHKLSA-N 2 1 365.474 2.881 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000274875404 511972741 /nfs/dbraw/zinc/97/27/41/511972741.db2.gz XIUYKPQCHWLSHB-IRXDYDNUSA-N 2 1 365.474 2.700 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378300604 512684143 /nfs/dbraw/zinc/68/41/43/512684143.db2.gz BDAKVZOSJKOPOX-UHFFFAOYSA-N 2 1 369.469 2.816 20 5 FFBDMP Cn1ccnc1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696533 513661092 /nfs/dbraw/zinc/66/10/92/513661092.db2.gz QFWNTTSQBHTVAH-GOSISDBHSA-N 2 1 369.469 2.515 20 5 FFBDMP Cn1ccnc1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696533 513661101 /nfs/dbraw/zinc/66/11/01/513661101.db2.gz QFWNTTSQBHTVAH-GOSISDBHSA-N 2 1 369.469 2.515 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110040 514446766 /nfs/dbraw/zinc/44/67/66/514446766.db2.gz OSTYUHPAVWCGAV-IAGOWNOFSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC[NH2+]CC2 ZINC000424302108 514451472 /nfs/dbraw/zinc/45/14/72/514451472.db2.gz YYWWNTYHXZYKHM-CYBMUJFWSA-N 2 1 357.414 2.609 20 5 FFBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132312 514459297 /nfs/dbraw/zinc/45/92/97/514459297.db2.gz TYXAOZQBZQNQDA-INIZCTEOSA-N 2 1 358.446 2.606 20 5 FFBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132312 514459299 /nfs/dbraw/zinc/45/92/99/514459299.db2.gz TYXAOZQBZQNQDA-INIZCTEOSA-N 2 1 358.446 2.606 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000468639497 515449300 /nfs/dbraw/zinc/44/93/00/515449300.db2.gz RHTKURRVYHCVKV-SSZFMOIBSA-N 2 1 374.485 2.530 20 5 FFBDMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332868 515526659 /nfs/dbraw/zinc/52/66/59/515526659.db2.gz IMJYFXCZGBOOBY-ZDUSSCGKSA-N 2 1 355.866 2.773 20 5 FFBDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332868 515526664 /nfs/dbraw/zinc/52/66/64/515526664.db2.gz IMJYFXCZGBOOBY-ZDUSSCGKSA-N 2 1 355.866 2.773 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000488365853 516206447 /nfs/dbraw/zinc/20/64/47/516206447.db2.gz ZAEBDXNLLPGUKV-UHFFFAOYSA-N 2 1 362.474 2.611 20 5 FFBDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888802 517472169 /nfs/dbraw/zinc/47/21/69/517472169.db2.gz WAYWOQOQZXHDRI-KRWDZBQOSA-N 2 1 360.483 2.735 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068139 517901245 /nfs/dbraw/zinc/90/12/45/517901245.db2.gz MCYZCBOCMUOTDH-ZIAGYGMSSA-N 2 1 359.430 2.743 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899816 518775414 /nfs/dbraw/zinc/77/54/14/518775414.db2.gz XZTUVTZILCPDDS-ZBFHGGJFSA-N 2 1 360.458 2.552 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433817 520390201 /nfs/dbraw/zinc/39/02/01/520390201.db2.gz YBIYTEATLBCQHN-CABCVRRESA-N 2 1 363.458 2.824 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494027 520416083 /nfs/dbraw/zinc/41/60/83/520416083.db2.gz ZMKSBISBKOTHSI-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492967 520416384 /nfs/dbraw/zinc/41/63/84/520416384.db2.gz JVAUFIOWCXKHLM-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900728 520805785 /nfs/dbraw/zinc/80/57/85/520805785.db2.gz JIJDNWLLSDOAFS-DOTOQJQBSA-N 2 1 374.485 2.942 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901511 520807197 /nfs/dbraw/zinc/80/71/97/520807197.db2.gz XRLDAXUXZCMLIQ-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP COc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596362789 521040094 /nfs/dbraw/zinc/04/00/94/521040094.db2.gz OGCIHDMTROUJNO-LBPRGKRZSA-N 2 1 358.870 2.941 20 5 FFBDMP COc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596362789 521040107 /nfs/dbraw/zinc/04/01/07/521040107.db2.gz OGCIHDMTROUJNO-LBPRGKRZSA-N 2 1 358.870 2.941 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571446 521417053 /nfs/dbraw/zinc/41/70/53/521417053.db2.gz ZWIWXBKNGSYINL-APWZRJJASA-N 2 1 355.442 2.749 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571446 521417059 /nfs/dbraw/zinc/41/70/59/521417059.db2.gz ZWIWXBKNGSYINL-APWZRJJASA-N 2 1 355.442 2.749 20 5 FFBDMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856770837 730356376 /nfs/dbraw/zinc/35/63/76/730356376.db2.gz ONRQQTJCNMBOKK-UHFFFAOYSA-N 2 1 359.268 2.653 20 5 FFBDMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856770837 730356377 /nfs/dbraw/zinc/35/63/77/730356377.db2.gz ONRQQTJCNMBOKK-UHFFFAOYSA-N 2 1 359.268 2.653 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501768 738292631 /nfs/dbraw/zinc/29/26/31/738292631.db2.gz VHNXNQQJDDPSSP-MNOVXSKESA-N 2 1 359.373 2.622 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388222 747821975 /nfs/dbraw/zinc/82/19/75/747821975.db2.gz LPLSFYWREVXEDF-QWHCGFSZSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388222 747821981 /nfs/dbraw/zinc/82/19/81/747821981.db2.gz LPLSFYWREVXEDF-QWHCGFSZSA-N 2 1 366.849 2.508 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903346 748133204 /nfs/dbraw/zinc/13/32/04/748133204.db2.gz XQEUCXROZXHCAV-VMGRFDJRSA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781103 1014391805 /nfs/dbraw/zinc/39/18/05/1014391805.db2.gz CTQBWSWOVQNIQD-QFBILLFUSA-N 2 1 360.502 2.669 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781103 1014391814 /nfs/dbraw/zinc/39/18/14/1014391814.db2.gz CTQBWSWOVQNIQD-QFBILLFUSA-N 2 1 360.502 2.669 20 5 FFBDMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877989186 1014799897 /nfs/dbraw/zinc/79/98/97/1014799897.db2.gz QVBPYXXLLLGARQ-UHFFFAOYSA-N 2 1 359.430 2.809 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249588 1015438959 /nfs/dbraw/zinc/43/89/59/1015438959.db2.gz VQPLLZVGGNNDIH-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000903978397 1016354218 /nfs/dbraw/zinc/35/42/18/1016354218.db2.gz OAYWZISEEDTZCV-VXGBXAGGSA-N 2 1 373.400 2.664 20 5 FFBDMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012194 1012181663 /nfs/dbraw/zinc/18/16/63/1012181663.db2.gz PVCAXOXVEDPUNY-UHFFFAOYSA-N 2 1 365.384 2.637 20 5 FFBDMP [NH3+]C[C@@]1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160512718 1027731510 /nfs/dbraw/zinc/73/15/10/1027731510.db2.gz DWUNMQFPDUSRDX-QGZVFWFLSA-N 2 1 361.833 2.631 20 5 FFBDMP Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229845754 1036930060 /nfs/dbraw/zinc/93/00/60/1036930060.db2.gz IVPQHVBPFGUIQC-MRXNPFEDSA-N 2 1 355.506 2.817 20 5 FFBDMP Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229845754 1036930076 /nfs/dbraw/zinc/93/00/76/1036930076.db2.gz IVPQHVBPFGUIQC-MRXNPFEDSA-N 2 1 355.506 2.817 20 5 FFBDMP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246538417 1039388092 /nfs/dbraw/zinc/38/80/92/1039388092.db2.gz BWBZMDCHOCKOKY-GFCCVEGCSA-N 2 1 354.401 2.655 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633200 1039421838 /nfs/dbraw/zinc/42/18/38/1039421838.db2.gz FBRQXYUKSPNGEI-ICSRJNTNSA-N 2 1 359.470 2.544 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357106 1049386651 /nfs/dbraw/zinc/38/66/51/1049386651.db2.gz RCLWWAYDIGNSAX-OFQRWUPVSA-N 2 1 363.458 2.774 20 5 FFBDMP C[N@@H+](CC1CC(O)C1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560761221 1076297708 /nfs/dbraw/zinc/29/77/08/1076297708.db2.gz CKQGIRVIYJKWTG-UHFFFAOYSA-N 2 1 361.486 2.552 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057847153 507342292 /nfs/dbraw/zinc/34/22/92/507342292.db2.gz OAYNIFFAOZVGCW-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335375 512338196 /nfs/dbraw/zinc/33/81/96/512338196.db2.gz JVUMXUPXUYEJOG-WSSFADSRSA-N 2 1 358.486 2.708 20 5 FFBDMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236794180 509505446 /nfs/dbraw/zinc/50/54/46/509505446.db2.gz KDNJXPBUSDXMBQ-UHFFFAOYSA-N 2 1 357.458 2.959 20 5 FFBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000189952181 509850428 /nfs/dbraw/zinc/85/04/28/509850428.db2.gz LREYSRGJQDMBAE-MCPYQZEQSA-N 2 1 357.458 2.538 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389362 510125928 /nfs/dbraw/zinc/12/59/28/510125928.db2.gz RYTRLSRTPOGRLI-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262148731 510192065 /nfs/dbraw/zinc/19/20/65/510192065.db2.gz QSYHHADPTRSXRW-HNNXBMFYSA-N 2 1 372.494 2.803 20 5 FFBDMP C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246656362 510603942 /nfs/dbraw/zinc/60/39/42/510603942.db2.gz CUWYJEIZQZVJPM-XJKSGUPXSA-N 2 1 368.397 2.924 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374975158 513094714 /nfs/dbraw/zinc/09/47/14/513094714.db2.gz BPZCMUQHZIQDNO-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374975158 513094717 /nfs/dbraw/zinc/09/47/17/513094717.db2.gz BPZCMUQHZIQDNO-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442926737 513816536 /nfs/dbraw/zinc/81/65/36/513816536.db2.gz ZYUMTMIUVGOBCH-GFCCVEGCSA-N 2 1 373.400 2.808 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309642 514287496 /nfs/dbraw/zinc/28/74/96/514287496.db2.gz JBHWEQFMQWANNI-HXUWFJFHSA-N 2 1 360.502 2.980 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470955780 514691377 /nfs/dbraw/zinc/69/13/77/514691377.db2.gz OOLVCLYVRHIBBZ-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470955780 514691386 /nfs/dbraw/zinc/69/13/86/514691386.db2.gz OOLVCLYVRHIBBZ-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470955780 514691395 /nfs/dbraw/zinc/69/13/95/514691395.db2.gz OOLVCLYVRHIBBZ-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470972875 514701599 /nfs/dbraw/zinc/70/15/99/514701599.db2.gz BBLAXIRDIYIFJR-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470972875 514701611 /nfs/dbraw/zinc/70/16/11/514701611.db2.gz BBLAXIRDIYIFJR-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470972875 514701622 /nfs/dbraw/zinc/70/16/22/514701622.db2.gz BBLAXIRDIYIFJR-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845460 515029728 /nfs/dbraw/zinc/02/97/28/515029728.db2.gz LLXGUJIOMYQOIB-DLBZAZTESA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845460 515029733 /nfs/dbraw/zinc/02/97/33/515029733.db2.gz LLXGUJIOMYQOIB-DLBZAZTESA-N 2 1 357.458 2.500 20 5 FFBDMP CC[N@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527219 519294435 /nfs/dbraw/zinc/29/44/35/519294435.db2.gz RTIKRQIXQBCSFK-QPGLYAHGSA-N 2 1 360.502 2.956 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594504548 520006012 /nfs/dbraw/zinc/00/60/12/520006012.db2.gz JDLGZVSBZXQSNQ-MRXNPFEDSA-N 2 1 353.850 2.634 20 5 FFBDMP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000601136835 520653893 /nfs/dbraw/zinc/65/38/93/520653893.db2.gz YRCDLALLEADRDE-HNAYVOBHSA-N 2 1 369.469 2.605 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900730 520804862 /nfs/dbraw/zinc/80/48/62/520804862.db2.gz JIJDNWLLSDOAFS-RDJZCZTQSA-N 2 1 374.485 2.942 20 5 FFBDMP CC(C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCC1 ZINC000602508436 521386311 /nfs/dbraw/zinc/38/63/11/521386311.db2.gz CBQMUNAMNXCGTJ-SFHVURJKSA-N 2 1 361.490 2.669 20 5 FFBDMP CN1CC[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000809736867 741338303 /nfs/dbraw/zinc/33/83/03/741338303.db2.gz MDHLXXAHYXSTIA-UHFFFAOYSA-N 2 1 366.893 2.708 20 5 FFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741473 741338848 /nfs/dbraw/zinc/33/88/48/741338848.db2.gz OKNSKTODEVTERV-MRXNPFEDSA-N 2 1 366.893 2.849 20 5 FFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741473 741338850 /nfs/dbraw/zinc/33/88/50/741338850.db2.gz OKNSKTODEVTERV-MRXNPFEDSA-N 2 1 366.893 2.849 20 5 FFBDMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472359 747612391 /nfs/dbraw/zinc/61/23/91/747612391.db2.gz FASOLNSYQJKTEA-OAHLLOKOSA-N 2 1 366.849 2.651 20 5 FFBDMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000842476464 747612981 /nfs/dbraw/zinc/61/29/81/747612981.db2.gz PDDSXWQJWBWLBN-INIZCTEOSA-N 2 1 352.410 2.560 20 5 FFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665870 1014668390 /nfs/dbraw/zinc/66/83/90/1014668390.db2.gz MLCJIHVSHAORBM-BJMVHTGZSA-N 2 1 369.469 2.853 20 5 FFBDMP CCOc1cc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000879127491 1015376159 /nfs/dbraw/zinc/37/61/59/1015376159.db2.gz XKYXURUDZXJHHU-UHFFFAOYSA-N 2 1 365.474 2.784 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249587 1015438432 /nfs/dbraw/zinc/43/84/32/1015438432.db2.gz VQPLLZVGGNNDIH-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337153 991075331 /nfs/dbraw/zinc/07/53/31/991075331.db2.gz XFRKRKIIGGDCJM-AZUAARDMSA-N 2 1 370.453 2.668 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337153 991075341 /nfs/dbraw/zinc/07/53/41/991075341.db2.gz XFRKRKIIGGDCJM-AZUAARDMSA-N 2 1 370.453 2.668 20 5 FFBDMP Cc1c(C[C@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000903886982 1016289349 /nfs/dbraw/zinc/28/93/49/1016289349.db2.gz WEBGZPCEYZLULY-QGZVFWFLSA-N 2 1 359.474 2.665 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000819015667 1008023676 /nfs/dbraw/zinc/02/36/76/1008023676.db2.gz MZCXRZIISUKCMA-RXVVDRJESA-N 2 1 369.465 2.782 20 5 FFBDMP C[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180219276 1009597196 /nfs/dbraw/zinc/59/71/96/1009597196.db2.gz LVKZAYTVHGUPEZ-LJQANCHMSA-N 2 1 361.486 2.818 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798142 1017852695 /nfs/dbraw/zinc/85/26/95/1017852695.db2.gz QRILWMIIILJEPR-ROUUACIJSA-N 2 1 359.470 2.664 20 5 FFBDMP O=C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001118198364 1022114381 /nfs/dbraw/zinc/11/43/81/1022114381.db2.gz LVLWMRSBWCOKDD-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001118198364 1022114388 /nfs/dbraw/zinc/11/43/88/1022114388.db2.gz LVLWMRSBWCOKDD-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001118263472 1022147796 /nfs/dbraw/zinc/14/77/96/1022147796.db2.gz GHSFPWOZIVZPMF-UHFFFAOYSA-N 2 1 360.458 2.697 20 5 FFBDMP Cc1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755780075 1023635255 /nfs/dbraw/zinc/63/52/55/1023635255.db2.gz MJDOGPFGCMEUNC-INIZCTEOSA-N 2 1 357.458 2.874 20 5 FFBDMP [NH3+]C[C@@]1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160521278 1027740254 /nfs/dbraw/zinc/74/02/54/1027740254.db2.gz XSGCUTAXRHUTAD-QGZVFWFLSA-N 2 1 361.833 2.631 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCC[C@]34CCC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246607642 1039412546 /nfs/dbraw/zinc/41/25/46/1039412546.db2.gz HCILMXCHDBYXQX-FQEVSTJZSA-N 2 1 374.485 2.790 20 5 FFBDMP CN(CC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001474502917 1065535909 /nfs/dbraw/zinc/53/59/09/1065535909.db2.gz DWNHAHBKTITOFO-UHFFFAOYSA-N 2 1 374.529 2.875 20 5 FFBDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058944 250540504 /nfs/dbraw/zinc/54/05/04/250540504.db2.gz ZTBSXGKZNGLNPN-QZTJIDSGSA-N 2 1 360.502 2.628 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000276306006 256088707 /nfs/dbraw/zinc/08/87/07/256088707.db2.gz LAPUTXTWAWEFQJ-UHFFFAOYSA-N 2 1 351.422 2.811 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366890209 512235346 /nfs/dbraw/zinc/23/53/46/512235346.db2.gz YIRBHTBJGPINTE-UHFFFAOYSA-N 2 1 360.458 2.731 20 5 FFBDMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000056524623 507036416 /nfs/dbraw/zinc/03/64/16/507036416.db2.gz YUHMSDCEZSABID-UHFFFAOYSA-N 2 1 359.430 2.809 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072718497 507846342 /nfs/dbraw/zinc/84/63/42/507846342.db2.gz NZYHBHOXTFNXSC-INIZCTEOSA-N 2 1 360.458 2.731 20 5 FFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823350 507858028 /nfs/dbraw/zinc/85/80/28/507858028.db2.gz OGKRAVCVCIMUAU-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095210 508136954 /nfs/dbraw/zinc/13/69/54/508136954.db2.gz PAIWRGMEBYZRNU-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095210 508136958 /nfs/dbraw/zinc/13/69/58/508136958.db2.gz PAIWRGMEBYZRNU-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095210 508136959 /nfs/dbraw/zinc/13/69/59/508136959.db2.gz PAIWRGMEBYZRNU-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095538 508137287 /nfs/dbraw/zinc/13/72/87/508137287.db2.gz UPSVCKKXTQQYLP-RHSMWYFYSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095538 508137288 /nfs/dbraw/zinc/13/72/88/508137288.db2.gz UPSVCKKXTQQYLP-RHSMWYFYSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095538 508137289 /nfs/dbraw/zinc/13/72/89/508137289.db2.gz UPSVCKKXTQQYLP-RHSMWYFYSA-N 2 1 362.474 2.894 20 5 FFBDMP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000153620031 508609974 /nfs/dbraw/zinc/60/99/74/508609974.db2.gz WCULJKIRRVOEFU-INIZCTEOSA-N 2 1 364.490 2.672 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139917218 508796704 /nfs/dbraw/zinc/79/67/04/508796704.db2.gz AVESPDCOWVNIJK-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139917218 508796709 /nfs/dbraw/zinc/79/67/09/508796709.db2.gz AVESPDCOWVNIJK-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139917218 508796710 /nfs/dbraw/zinc/79/67/10/508796710.db2.gz AVESPDCOWVNIJK-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130766374 508843477 /nfs/dbraw/zinc/84/34/77/508843477.db2.gz XCWGLFOBKUTQOY-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130766374 508843480 /nfs/dbraw/zinc/84/34/80/508843480.db2.gz XCWGLFOBKUTQOY-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150776298 508890933 /nfs/dbraw/zinc/89/09/33/508890933.db2.gz UHBCWSASHYYVLI-MRXNPFEDSA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000248949054 509552220 /nfs/dbraw/zinc/55/22/20/509552220.db2.gz DWFVBNFXFMBOIX-MNZLEMJZSA-N 2 1 357.458 2.538 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cccc1[N+](=O)[O-] ZINC000285353012 510872967 /nfs/dbraw/zinc/87/29/67/510872967.db2.gz BAMYTLHCZGFAQU-XYPWUTKMSA-N 2 1 360.458 2.789 20 5 FFBDMP Cc1c(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000285353012 510872969 /nfs/dbraw/zinc/87/29/69/510872969.db2.gz BAMYTLHCZGFAQU-XYPWUTKMSA-N 2 1 360.458 2.789 20 5 FFBDMP CCOc1cc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)ccc1[N+](=O)[O-] ZINC000280300928 511411928 /nfs/dbraw/zinc/41/19/28/511411928.db2.gz VSPKPPANLYELGB-UHFFFAOYSA-N 2 1 373.457 2.711 20 5 FFBDMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627906 511568805 /nfs/dbraw/zinc/56/88/05/511568805.db2.gz KQGFYKQEWLSXPW-CQSZACIVSA-N 2 1 357.414 2.537 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000274875405 511973108 /nfs/dbraw/zinc/97/31/08/511973108.db2.gz XIUYKPQCHWLSHB-SJORKVTESA-N 2 1 365.474 2.700 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340626 514101194 /nfs/dbraw/zinc/10/11/94/514101194.db2.gz MXOBJYSKCYLYNQ-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387044 514122308 /nfs/dbraw/zinc/12/23/08/514122308.db2.gz GGCRIUDADJZYCU-CRAIPNDOSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387711 514123067 /nfs/dbraw/zinc/12/30/67/514123067.db2.gz GMQCYCBYGGHIRL-CRAIPNDOSA-N 2 1 360.458 2.696 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423414894 514135124 /nfs/dbraw/zinc/13/51/24/514135124.db2.gz OAYHSWUDDAIEEJ-RHSMWYFYSA-N 2 1 353.488 2.824 20 5 FFBDMP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000489989008 515060560 /nfs/dbraw/zinc/06/05/60/515060560.db2.gz NHANIZBEAKPYAZ-UHFFFAOYSA-N 2 1 351.447 2.953 20 5 FFBDMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000489989008 515060568 /nfs/dbraw/zinc/06/05/68/515060568.db2.gz NHANIZBEAKPYAZ-UHFFFAOYSA-N 2 1 351.447 2.953 20 5 FFBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544618037 516837894 /nfs/dbraw/zinc/83/78/94/516837894.db2.gz SZJRIEIFHMWWQW-UHFFFAOYSA-N 2 1 374.376 2.525 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000574414795 519145501 /nfs/dbraw/zinc/14/55/01/519145501.db2.gz OVLQTSHSJXCXSJ-SXLOBPIMSA-N 2 1 359.470 2.940 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681533 519609914 /nfs/dbraw/zinc/60/99/14/519609914.db2.gz IISCPLDTHITDOV-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681533 519609918 /nfs/dbraw/zinc/60/99/18/519609918.db2.gz IISCPLDTHITDOV-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681533 519609921 /nfs/dbraw/zinc/60/99/21/519609921.db2.gz IISCPLDTHITDOV-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681533 519609926 /nfs/dbraw/zinc/60/99/26/519609926.db2.gz IISCPLDTHITDOV-OAHLLOKOSA-N 2 1 363.487 2.615 20 5 FFBDMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976282 520238768 /nfs/dbraw/zinc/23/87/68/520238768.db2.gz YIHRMRMDVRHTRA-LJQANCHMSA-N 2 1 355.438 2.760 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492945 520416356 /nfs/dbraw/zinc/41/63/56/520416356.db2.gz ISXTWSBTNYKVMV-HZPDHXFCSA-N 2 1 363.458 2.694 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901450 520807484 /nfs/dbraw/zinc/80/74/84/520807484.db2.gz WHJYQDZABYKXMV-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901566 520807918 /nfs/dbraw/zinc/80/79/18/520807918.db2.gz YCFUHQMLAHWIKP-QGZVFWFLSA-N 2 1 374.485 2.943 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013953 521603994 /nfs/dbraw/zinc/60/39/94/521603994.db2.gz JQJYVRRNTPINSZ-CTNGQTDRSA-N 2 1 369.465 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013953 521603998 /nfs/dbraw/zinc/60/39/98/521603998.db2.gz JQJYVRRNTPINSZ-CTNGQTDRSA-N 2 1 369.465 2.610 20 5 FFBDMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892563024 734573535 /nfs/dbraw/zinc/57/35/35/734573535.db2.gz ONYVWAFCWLMTKC-UHFFFAOYSA-N 2 1 354.882 2.756 20 5 FFBDMP COc1cc(C[NH2+]CCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000903938938 736191158 /nfs/dbraw/zinc/19/11/58/736191158.db2.gz QQCAMDZYYWMQPD-UHFFFAOYSA-N 2 1 365.352 2.762 20 5 FFBDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628584 738007088 /nfs/dbraw/zinc/00/70/88/738007088.db2.gz XSDKBICVTGCLRS-UHFFFAOYSA-N 2 1 351.838 2.829 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377850 747820771 /nfs/dbraw/zinc/82/07/71/747820771.db2.gz OTRIBGCUPILWDR-VXGBXAGGSA-N 2 1 354.838 2.636 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377850 747820777 /nfs/dbraw/zinc/82/07/77/747820777.db2.gz OTRIBGCUPILWDR-VXGBXAGGSA-N 2 1 354.838 2.636 20 5 FFBDMP Cc1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000873102215 1013386042 /nfs/dbraw/zinc/38/60/42/1013386042.db2.gz MNDVIXICFALGDN-LJQANCHMSA-N 2 1 355.438 2.760 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394093 988555135 /nfs/dbraw/zinc/55/51/35/988555135.db2.gz UQMNQMNQMNXRAM-RSPOEFSDSA-N 2 1 361.486 2.863 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738091167 999616340 /nfs/dbraw/zinc/61/63/40/999616340.db2.gz WJMFDDNKXQJBDV-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738091167 999616341 /nfs/dbraw/zinc/61/63/41/999616341.db2.gz WJMFDDNKXQJBDV-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886874717 1008910499 /nfs/dbraw/zinc/91/04/99/1008910499.db2.gz UYOIQJYQXIWEQR-SFHVURJKSA-N 2 1 364.421 2.528 20 5 FFBDMP [NH3+]CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000843376753 1031363531 /nfs/dbraw/zinc/36/35/31/1031363531.db2.gz DJBYVMWBWNHXGG-UHFFFAOYSA-N 2 1 374.416 2.914 20 5 FFBDMP O=C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001332425230 1048391321 /nfs/dbraw/zinc/39/13/21/1048391321.db2.gz XCBNIKJCPARZQE-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001332425230 1048391336 /nfs/dbraw/zinc/39/13/36/1048391336.db2.gz XCBNIKJCPARZQE-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072720094 507847286 /nfs/dbraw/zinc/84/72/86/507847286.db2.gz CLODKSJNMAWUAP-MRXNPFEDSA-N 2 1 360.458 2.731 20 5 FFBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129676644 508753395 /nfs/dbraw/zinc/75/33/95/508753395.db2.gz STPCRHRMIOFILM-PBHICJAKSA-N 2 1 357.414 2.703 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049957 508798983 /nfs/dbraw/zinc/79/89/83/508798983.db2.gz DXPAQWSPXZTRNV-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049957 508798987 /nfs/dbraw/zinc/79/89/87/508798987.db2.gz DXPAQWSPXZTRNV-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049957 508798991 /nfs/dbraw/zinc/79/89/91/508798991.db2.gz DXPAQWSPXZTRNV-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262107113 510178759 /nfs/dbraw/zinc/17/87/59/510178759.db2.gz JSMFGJXIZCXISC-KRWDZBQOSA-N 2 1 372.494 2.803 20 5 FFBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730675 510563631 /nfs/dbraw/zinc/56/36/31/510563631.db2.gz UCHQYXVPGVVAQY-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730675 510563638 /nfs/dbraw/zinc/56/36/38/510563638.db2.gz UCHQYXVPGVVAQY-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730675 510563643 /nfs/dbraw/zinc/56/36/43/510563643.db2.gz UCHQYXVPGVVAQY-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730675 510563650 /nfs/dbraw/zinc/56/36/50/510563650.db2.gz UCHQYXVPGVVAQY-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1 ZINC000374075227 512650796 /nfs/dbraw/zinc/65/07/96/512650796.db2.gz RBAROOAJMQOLIW-SFHVURJKSA-N 2 1 372.469 2.508 20 5 FFBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447532209 513500892 /nfs/dbraw/zinc/50/08/92/513500892.db2.gz VBBMJKIISUERKU-IBGZPJMESA-N 2 1 374.485 2.505 20 5 FFBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300246 514282704 /nfs/dbraw/zinc/28/27/04/514282704.db2.gz ACJRQTGEETXVIU-VQIMIIECSA-N 2 1 374.485 2.539 20 5 FFBDMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984122 514421712 /nfs/dbraw/zinc/42/17/12/514421712.db2.gz SLIVDFXMHFLSLP-UHFFFAOYSA-N 2 1 360.502 2.629 20 5 FFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919890 514845401 /nfs/dbraw/zinc/84/54/01/514845401.db2.gz MFPHFDPDUJCQFH-CABCVRRESA-N 2 1 351.447 2.787 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919890 514845412 /nfs/dbraw/zinc/84/54/12/514845412.db2.gz MFPHFDPDUJCQFH-CABCVRRESA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919890 514845423 /nfs/dbraw/zinc/84/54/23/514845423.db2.gz MFPHFDPDUJCQFH-CABCVRRESA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919890 514845434 /nfs/dbraw/zinc/84/54/34/514845434.db2.gz MFPHFDPDUJCQFH-CABCVRRESA-N 2 1 351.447 2.787 20 5 FFBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548761169 517195803 /nfs/dbraw/zinc/19/58/03/517195803.db2.gz LACALNCSLNLMCC-IYBDPMFKSA-N 2 1 362.474 2.881 20 5 FFBDMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520229353 517309081 /nfs/dbraw/zinc/30/90/81/517309081.db2.gz NGUMKOYZBHOSGL-UHFFFAOYSA-N 2 1 359.426 2.963 20 5 FFBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002896 518542689 /nfs/dbraw/zinc/54/26/89/518542689.db2.gz KPNDBACQNHVPJB-KBPBESRZSA-N 2 1 357.410 2.905 20 5 FFBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002896 518542694 /nfs/dbraw/zinc/54/26/94/518542694.db2.gz KPNDBACQNHVPJB-KBPBESRZSA-N 2 1 357.410 2.905 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000589505987 519019858 /nfs/dbraw/zinc/01/98/58/519019858.db2.gz SVUPVLKBWIWCPX-YJBOKZPZSA-N 2 1 373.453 2.830 20 5 FFBDMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976281 520238516 /nfs/dbraw/zinc/23/85/16/520238516.db2.gz YIHRMRMDVRHTRA-IBGZPJMESA-N 2 1 355.438 2.760 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505023 520515247 /nfs/dbraw/zinc/51/52/47/520515247.db2.gz PKTZHOBACJDRJO-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505023 520515257 /nfs/dbraw/zinc/51/52/57/520515257.db2.gz PKTZHOBACJDRJO-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505023 520515262 /nfs/dbraw/zinc/51/52/62/520515262.db2.gz PKTZHOBACJDRJO-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000601115009 520643575 /nfs/dbraw/zinc/64/35/75/520643575.db2.gz XJJFKTIENMMIOR-UHFFFAOYSA-N 2 1 356.426 2.622 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000595900358 520804688 /nfs/dbraw/zinc/80/46/88/520804688.db2.gz DBUJNHSPUOYBEO-INIZCTEOSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900410 520805387 /nfs/dbraw/zinc/80/53/87/520805387.db2.gz FMNXDZBHBZAXHZ-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000595901415 520807147 /nfs/dbraw/zinc/80/71/47/520807147.db2.gz VJNPCLWYAOBNJB-MRXNPFEDSA-N 2 1 363.458 2.694 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901525 520807743 /nfs/dbraw/zinc/80/77/43/520807743.db2.gz XUSNFMDJZDYJQF-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596864839 521338826 /nfs/dbraw/zinc/33/88/26/521338826.db2.gz ATVCDSVVXUSUOO-HNNXBMFYSA-N 2 1 365.478 2.605 20 5 FFBDMP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596864839 521338834 /nfs/dbraw/zinc/33/88/34/521338834.db2.gz ATVCDSVVXUSUOO-HNNXBMFYSA-N 2 1 365.478 2.605 20 5 FFBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504070 521383758 /nfs/dbraw/zinc/38/37/58/521383758.db2.gz RPBSHHOMAIWHMW-MRXNPFEDSA-N 2 1 361.490 2.813 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508683 736103856 /nfs/dbraw/zinc/10/38/56/736103856.db2.gz QMHVNVUOJWTIFG-CALCHBBNSA-N 2 1 364.877 2.649 20 5 FFBDMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CC[NH3+] ZINC000846225409 748434103 /nfs/dbraw/zinc/43/41/03/748434103.db2.gz ASPDCUZDUIFHTI-MLGOLLRUSA-N 2 1 352.410 2.512 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738070502 967654895 /nfs/dbraw/zinc/65/48/95/967654895.db2.gz ICDPJNMUMICVGO-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781105 1014392607 /nfs/dbraw/zinc/39/26/07/1014392607.db2.gz CTQBWSWOVQNIQD-VQIMIIECSA-N 2 1 360.502 2.669 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781105 1014392617 /nfs/dbraw/zinc/39/26/17/1014392617.db2.gz CTQBWSWOVQNIQD-VQIMIIECSA-N 2 1 360.502 2.669 20 5 FFBDMP COc1c(O)ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000894135131 977943189 /nfs/dbraw/zinc/94/31/89/977943189.db2.gz RJCGGJWPMZIVKW-INIZCTEOSA-N 2 1 371.437 2.921 20 5 FFBDMP C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000877079674 1014470709 /nfs/dbraw/zinc/47/07/09/1014470709.db2.gz ITHJLSISUDDYOG-ZLPCBKJTSA-N 2 1 357.458 2.995 20 5 FFBDMP COc1ccc(C[C@@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317451 1003107765 /nfs/dbraw/zinc/10/77/65/1003107765.db2.gz ITLUYHQHJFYQCW-FVQBIDKESA-N 2 1 363.458 2.505 20 5 FFBDMP Cc1c(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618441 1004838083 /nfs/dbraw/zinc/83/80/83/1004838083.db2.gz ZQOOYEKZXTWQDH-FQEVSTJZSA-N 2 1 368.481 2.982 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016292 1008024890 /nfs/dbraw/zinc/02/48/90/1008024890.db2.gz WUNFZMFPRUVYMT-RXVVDRJESA-N 2 1 369.465 2.782 20 5 FFBDMP COc1cc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085215 1038371431 /nfs/dbraw/zinc/37/14/31/1038371431.db2.gz LSIBMBZDGGGKCU-OAHLLOKOSA-N 2 1 362.474 2.504 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001246561244 1039399988 /nfs/dbraw/zinc/39/99/88/1039399988.db2.gz JPOMULALJUZDSG-MELADBBJSA-N 2 1 353.438 2.980 20 5 FFBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469922 1040736714 /nfs/dbraw/zinc/73/67/14/1040736714.db2.gz JLDFLRACKCLCRK-JCNLHEQBSA-N 2 1 374.485 2.534 20 5 FFBDMP C[C@@]1(O)CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474360722 1065501640 /nfs/dbraw/zinc/50/16/40/1065501640.db2.gz DBILIDKXWDQEGP-HXUWFJFHSA-N 2 1 361.486 2.696 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288412173 257186281 /nfs/dbraw/zinc/18/62/81/257186281.db2.gz AOIBMJYCVGAIJM-UHFFFAOYSA-N 2 1 358.442 2.919 20 5 FFBDMP CN1CC[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000289413330 257279843 /nfs/dbraw/zinc/27/98/43/257279843.db2.gz IDXGXGRKRDNVEY-UHFFFAOYSA-N 2 1 366.893 2.708 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123155241 508644427 /nfs/dbraw/zinc/64/44/27/508644427.db2.gz ACXXQSPSPMGDQG-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123235332 508656331 /nfs/dbraw/zinc/65/63/31/508656331.db2.gz PJJOKCJYRYNHPK-UHFFFAOYSA-N 2 1 362.474 2.896 20 5 FFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000246541522 510546621 /nfs/dbraw/zinc/54/66/21/510546621.db2.gz AQULGWWXIFFQHG-GDBMZVCRSA-N 2 1 357.414 2.561 20 5 FFBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292212266 511507978 /nfs/dbraw/zinc/50/79/78/511507978.db2.gz UESHDRGNVAKQTG-ACJLOTCBSA-N 2 1 357.414 2.733 20 5 FFBDMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000365628515 511569080 /nfs/dbraw/zinc/56/90/80/511569080.db2.gz LKZPYLNTMMMHGK-AWEZNQCLSA-N 2 1 368.397 2.758 20 5 FFBDMP Cn1ccnc1[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000365628515 511569084 /nfs/dbraw/zinc/56/90/84/511569084.db2.gz LKZPYLNTMMMHGK-AWEZNQCLSA-N 2 1 368.397 2.758 20 5 FFBDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084397 511994214 /nfs/dbraw/zinc/99/42/14/511994214.db2.gz JSLALKCJHCMMPG-IXDGSTSKSA-N 2 1 362.474 2.596 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337903 514099538 /nfs/dbraw/zinc/09/95/38/514099538.db2.gz KGIVPCZRRJQGCY-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344289 514101778 /nfs/dbraw/zinc/10/17/78/514101778.db2.gz SNZJELLNLMEZPY-HRCADAONSA-N 2 1 360.458 2.552 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387719 514122352 /nfs/dbraw/zinc/12/23/52/514122352.db2.gz GMQCYCBYGGHIRL-QAPCUYQASA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423508997 514155539 /nfs/dbraw/zinc/15/55/39/514155539.db2.gz LVJJVMJLWKKIKO-UHYCVJNDSA-N 2 1 358.486 2.778 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000468639496 515448476 /nfs/dbraw/zinc/44/84/76/515448476.db2.gz RHTKURRVYHCVKV-DTQAZKPQSA-N 2 1 374.485 2.530 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532478901 516995798 /nfs/dbraw/zinc/99/57/98/516995798.db2.gz WXJKDWXNGNYDIJ-IBGZPJMESA-N 2 1 374.485 2.754 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000578755256 518358673 /nfs/dbraw/zinc/35/86/73/518358673.db2.gz WTZJLQFHZXSZAM-UHFFFAOYSA-N 2 1 369.425 2.611 20 5 FFBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002898 518542031 /nfs/dbraw/zinc/54/20/31/518542031.db2.gz KPNDBACQNHVPJB-UONOGXRCSA-N 2 1 357.410 2.905 20 5 FFBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002898 518542034 /nfs/dbraw/zinc/54/20/34/518542034.db2.gz KPNDBACQNHVPJB-UONOGXRCSA-N 2 1 357.410 2.905 20 5 FFBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589196697 518946807 /nfs/dbraw/zinc/94/68/07/518946807.db2.gz UARMADJTFWQHRK-QGZVFWFLSA-N 2 1 352.454 2.582 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571450 521417559 /nfs/dbraw/zinc/41/75/59/521417559.db2.gz ZWIWXBKNGSYINL-LPHOPBHVSA-N 2 1 355.442 2.749 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571450 521417565 /nfs/dbraw/zinc/41/75/65/521417565.db2.gz ZWIWXBKNGSYINL-LPHOPBHVSA-N 2 1 355.442 2.749 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602828604 521557119 /nfs/dbraw/zinc/55/71/19/521557119.db2.gz HXDRXXVRNFRZOX-FQEVSTJZSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602828604 521557126 /nfs/dbraw/zinc/55/71/26/521557126.db2.gz HXDRXXVRNFRZOX-FQEVSTJZSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602828604 521557135 /nfs/dbraw/zinc/55/71/35/521557135.db2.gz HXDRXXVRNFRZOX-FQEVSTJZSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602828604 521557139 /nfs/dbraw/zinc/55/71/39/521557139.db2.gz HXDRXXVRNFRZOX-FQEVSTJZSA-N 2 1 369.469 2.698 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253872 742865443 /nfs/dbraw/zinc/86/54/43/742865443.db2.gz QBUXJQMFZPXRJO-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253872 742865452 /nfs/dbraw/zinc/86/54/52/742865452.db2.gz QBUXJQMFZPXRJO-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103849 747270316 /nfs/dbraw/zinc/27/03/16/747270316.db2.gz KXLXPKNBUSFDJK-RHSMWYFYSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902200 748131992 /nfs/dbraw/zinc/13/19/92/748131992.db2.gz KZGIVXHBXUNEKP-QEORTHHSSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184781 750258313 /nfs/dbraw/zinc/25/83/13/750258313.db2.gz IGTFXXVHAMZCOQ-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184781 750258316 /nfs/dbraw/zinc/25/83/16/750258316.db2.gz IGTFXXVHAMZCOQ-LBPRGKRZSA-N 2 1 371.869 2.642 20 5 FFBDMP COc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000904451579 980279079 /nfs/dbraw/zinc/27/90/79/980279079.db2.gz ZTJFODMZUZZXFR-UHFFFAOYSA-N 2 1 357.410 2.763 20 5 FFBDMP COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC[NH+](C)CC1 ZINC000877664297 1014666287 /nfs/dbraw/zinc/66/62/87/1014666287.db2.gz MGDHDWVZDCHRPQ-UHFFFAOYSA-N 2 1 362.430 2.526 20 5 FFBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001169019596 1000017423 /nfs/dbraw/zinc/01/74/23/1000017423.db2.gz GSNAMIYUYWHECH-WOJBJXKFSA-N 2 1 373.497 2.799 20 5 FFBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509799 1005819609 /nfs/dbraw/zinc/81/96/09/1005819609.db2.gz STVYZGDXGSDOKZ-KDOFPFPSSA-N 2 1 370.453 2.594 20 5 FFBDMP O=C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118197760 1022113068 /nfs/dbraw/zinc/11/30/68/1022113068.db2.gz BFYITJSSRMSKED-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118197760 1022113074 /nfs/dbraw/zinc/11/30/74/1022113074.db2.gz BFYITJSSRMSKED-UHFFFAOYSA-N 2 1 366.849 2.652 20 5 FFBDMP COc1cc(N2CCC([N@H+]3C[C@H]4CCCN(C)[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101343 1038387173 /nfs/dbraw/zinc/38/71/73/1038387173.db2.gz FMPGJPWTXYBQDE-BEFAXECRSA-N 2 1 374.485 2.598 20 5 FFBDMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572805 1039401759 /nfs/dbraw/zinc/40/17/59/1039401759.db2.gz UVDNNOUDXGLPRA-CZUORRHYSA-N 2 1 372.391 2.603 20 5 FFBDMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572805 1039401768 /nfs/dbraw/zinc/40/17/68/1039401768.db2.gz UVDNNOUDXGLPRA-CZUORRHYSA-N 2 1 372.391 2.603 20 5 FFBDMP Cc1c(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC001461054642 1061197794 /nfs/dbraw/zinc/19/77/94/1061197794.db2.gz RZIBIWSCDPZRTC-UHFFFAOYSA-N 2 1 368.481 2.940 20 5 FFBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001473759282 1065349113 /nfs/dbraw/zinc/34/91/13/1065349113.db2.gz BYYKZBBRJWIYTB-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289400895 257279359 /nfs/dbraw/zinc/27/93/59/257279359.db2.gz GMRICAGDTBRLGJ-UHFFFAOYSA-N 2 1 372.469 2.924 20 5 FFBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367211236 512387945 /nfs/dbraw/zinc/38/79/45/512387945.db2.gz JOSSHXGOOVXSQW-NNQSOWQGSA-N 2 1 364.421 2.620 20 5 FFBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367211236 512387950 /nfs/dbraw/zinc/38/79/50/512387950.db2.gz JOSSHXGOOVXSQW-NNQSOWQGSA-N 2 1 364.421 2.620 20 5 FFBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367211236 512387953 /nfs/dbraw/zinc/38/79/53/512387953.db2.gz JOSSHXGOOVXSQW-NNQSOWQGSA-N 2 1 364.421 2.620 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377691218 512400715 /nfs/dbraw/zinc/40/07/15/512400715.db2.gz HMPJWRYQBPAGAK-UFRUDQCGSA-N 2 1 358.486 2.646 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377691218 512400717 /nfs/dbraw/zinc/40/07/17/512400717.db2.gz HMPJWRYQBPAGAK-UFRUDQCGSA-N 2 1 358.486 2.646 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569861 510015274 /nfs/dbraw/zinc/01/52/74/510015274.db2.gz YSILAMZJZXBKFV-ICSRJNTNSA-N 2 1 374.529 2.923 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700183 510727798 /nfs/dbraw/zinc/72/77/98/510727798.db2.gz FTMFLGNTNUMBDF-KBPBESRZSA-N 2 1 359.430 2.743 20 5 FFBDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377933 513569242 /nfs/dbraw/zinc/56/92/42/513569242.db2.gz BHOKRPJHBDQHGT-KRWDZBQOSA-N 2 1 371.437 2.963 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377933 513569245 /nfs/dbraw/zinc/56/92/45/513569245.db2.gz BHOKRPJHBDQHGT-KRWDZBQOSA-N 2 1 371.437 2.963 20 5 FFBDMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448592653 513797788 /nfs/dbraw/zinc/79/77/88/513797788.db2.gz QYIASAICGXGGBL-OAHLLOKOSA-N 2 1 371.441 2.775 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000442869121 513800065 /nfs/dbraw/zinc/80/00/65/513800065.db2.gz AORYXDQUGDTTNF-SFHVURJKSA-N 2 1 360.502 2.933 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715451 513910086 /nfs/dbraw/zinc/91/00/86/513910086.db2.gz MEJYGEBOALSARO-FXAWDEMLSA-N 2 1 369.421 2.949 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000569531982 519595629 /nfs/dbraw/zinc/59/56/29/519595629.db2.gz QNHJLZCMRFYARQ-SAPNQHFASA-N 2 1 360.502 2.956 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492580 520415572 /nfs/dbraw/zinc/41/55/72/520415572.db2.gz AXYQFCXKWFQABD-PMPSAXMXSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494026 520415723 /nfs/dbraw/zinc/41/57/23/520415723.db2.gz ZMKSBISBKOTHSI-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492978 520415857 /nfs/dbraw/zinc/41/58/57/520415857.db2.gz KEERMHCJHQPWRL-JKSUJKDBSA-N 2 1 360.458 2.635 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492975 520416473 /nfs/dbraw/zinc/41/64/73/520416473.db2.gz KEERMHCJHQPWRL-CVEARBPZSA-N 2 1 360.458 2.635 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494025 520416752 /nfs/dbraw/zinc/41/67/52/520416752.db2.gz ZMKSBISBKOTHSI-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901452 520806775 /nfs/dbraw/zinc/80/67/75/520806775.db2.gz WLEZAXLOWVCROV-INIZCTEOSA-N 2 1 360.458 2.635 20 5 FFBDMP COc1cc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124311 520927727 /nfs/dbraw/zinc/92/77/27/520927727.db2.gz VHDOUZRMXUIRQV-GFCCVEGCSA-N 2 1 368.865 2.837 20 5 FFBDMP COc1cc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124311 520927733 /nfs/dbraw/zinc/92/77/33/520927733.db2.gz VHDOUZRMXUIRQV-GFCCVEGCSA-N 2 1 368.865 2.837 20 5 FFBDMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522098 521392333 /nfs/dbraw/zinc/39/23/33/521392333.db2.gz CULABGKXQJDTIO-HOTGVXAUSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522098 521392338 /nfs/dbraw/zinc/39/23/38/521392338.db2.gz CULABGKXQJDTIO-HOTGVXAUSA-N 2 1 361.490 2.669 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602786554 521531491 /nfs/dbraw/zinc/53/14/91/521531491.db2.gz QZRRSDCZKGNRDX-SFHVURJKSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602786554 521531496 /nfs/dbraw/zinc/53/14/96/521531496.db2.gz QZRRSDCZKGNRDX-SFHVURJKSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602786554 521531506 /nfs/dbraw/zinc/53/15/06/521531506.db2.gz QZRRSDCZKGNRDX-SFHVURJKSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602786554 521531512 /nfs/dbraw/zinc/53/15/12/521531512.db2.gz QZRRSDCZKGNRDX-SFHVURJKSA-N 2 1 357.458 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000602819444 521551949 /nfs/dbraw/zinc/55/19/49/521551949.db2.gz BTJQXRCNXVGHPP-UHFFFAOYSA-N 2 1 358.446 2.512 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016293 1008024840 /nfs/dbraw/zinc/02/48/40/1008024840.db2.gz WUNFZMFPRUVYMT-WIYYLYMNSA-N 2 1 369.465 2.782 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866266894 1010966871 /nfs/dbraw/zinc/96/68/71/1010966871.db2.gz UBMZXWNHDVMVLB-RDTXWAMCSA-N 2 1 365.449 2.898 20 5 FFBDMP [NH3+]C[C@]1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C[NH+]2CCC1CC2 ZINC001160521107 1027736756 /nfs/dbraw/zinc/73/67/56/1027736756.db2.gz WDRGBELYVJBKHR-KRWDZBQOSA-N 2 1 361.833 2.631 20 5 FFBDMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001162778391 1028653964 /nfs/dbraw/zinc/65/39/64/1028653964.db2.gz KTRZNHFDJDYQLM-GFCCVEGCSA-N 2 1 351.410 2.941 20 5 FFBDMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001162778391 1028653974 /nfs/dbraw/zinc/65/39/74/1028653974.db2.gz KTRZNHFDJDYQLM-GFCCVEGCSA-N 2 1 351.410 2.941 20 5 FFBDMP C[NH+](C)/C=C/c1cc(NCc2ccc3c(c2)CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155272479 1028654067 /nfs/dbraw/zinc/65/40/67/1028654067.db2.gz PKRMLZOGQFNGKA-SOFGYWHQSA-N 2 1 353.426 2.780 20 5 FFBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001163128629 1028814407 /nfs/dbraw/zinc/81/44/07/1028814407.db2.gz NYJDIEUZLRPPAJ-UHFFFAOYSA-N 2 1 371.445 2.638 20 5 FFBDMP COc1cc(N2CCC([N@@H+](C)C3CCC([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087806 1038372491 /nfs/dbraw/zinc/37/24/91/1038372491.db2.gz QLTBDLONOGULAX-UHFFFAOYSA-N 2 1 362.474 2.774 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101473 1038386936 /nfs/dbraw/zinc/38/69/36/1038386936.db2.gz JTUJNEQQVTXINC-FQEVSTJZSA-N 2 1 374.485 2.600 20 5 FFBDMP COc1cc(N2CCC([NH+]3CC[C@]4(CC[N@H+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101473 1038386947 /nfs/dbraw/zinc/38/69/47/1038386947.db2.gz JTUJNEQQVTXINC-FQEVSTJZSA-N 2 1 374.485 2.600 20 5 FFBDMP COc1cc(N2CCC([NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101473 1038386958 /nfs/dbraw/zinc/38/69/58/1038386958.db2.gz JTUJNEQQVTXINC-FQEVSTJZSA-N 2 1 374.485 2.600 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014136 1039580555 /nfs/dbraw/zinc/58/05/55/1039580555.db2.gz JDSWKEOCZCLOTO-YJBOKZPZSA-N 2 1 374.485 2.646 20 5 FFBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC001262379323 1041667069 /nfs/dbraw/zinc/66/70/69/1041667069.db2.gz XKKICSZPKPPPRS-IJEWVQPXSA-N 2 1 361.442 2.528 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357102 1049387643 /nfs/dbraw/zinc/38/76/43/1049387643.db2.gz RCLWWAYDIGNSAX-DZKIICNBSA-N 2 1 363.458 2.774 20 5 FFBDMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001336805737 1054243429 /nfs/dbraw/zinc/24/34/29/1054243429.db2.gz XQNHCUVZNDMCGF-MRXNPFEDSA-N 2 1 360.458 2.635 20 5 FFBDMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC001336830720 1054266096 /nfs/dbraw/zinc/26/60/96/1054266096.db2.gz UTQGAWRZPRUCNC-YZGWKJHDSA-N 2 1 355.438 2.563 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001461994125 1061473800 /nfs/dbraw/zinc/47/38/00/1061473800.db2.gz GKHNNEWWFJBJGT-OAQYLSRUSA-N 2 1 369.465 2.884 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000278688327 256338507 /nfs/dbraw/zinc/33/85/07/256338507.db2.gz KFRIXKDTCKGTKL-AABGKKOBSA-N 2 1 359.470 2.940 20 5 FFBDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766493 509729914 /nfs/dbraw/zinc/72/99/14/509729914.db2.gz NTUHYOSHKHKRAK-AWEZNQCLSA-N 2 1 355.442 2.569 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000420332150 514098624 /nfs/dbraw/zinc/09/86/24/514098624.db2.gz GEELFROVYLNZCI-INIZCTEOSA-N 2 1 357.414 2.609 20 5 FFBDMP C[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481859 514149488 /nfs/dbraw/zinc/14/94/88/514149488.db2.gz QYFDOSCQDUNVHX-KBPBESRZSA-N 2 1 360.483 2.878 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789544 515965992 /nfs/dbraw/zinc/96/59/92/515965992.db2.gz YUHBGXAFAWJMQL-DOTOQJQBSA-N 2 1 365.474 2.830 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789544 515966001 /nfs/dbraw/zinc/96/60/01/515966001.db2.gz YUHBGXAFAWJMQL-DOTOQJQBSA-N 2 1 365.474 2.830 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000488364212 516206862 /nfs/dbraw/zinc/20/68/62/516206862.db2.gz VEOMGCGWJOHGRG-UHFFFAOYSA-N 2 1 362.474 2.896 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001149 517942767 /nfs/dbraw/zinc/94/27/67/517942767.db2.gz FWIMNNXQEPXXLY-QWHCGFSZSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001149 517942775 /nfs/dbraw/zinc/94/27/75/517942775.db2.gz FWIMNNXQEPXXLY-QWHCGFSZSA-N 2 1 366.849 2.508 20 5 FFBDMP CCc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403483 518073569 /nfs/dbraw/zinc/07/35/69/518073569.db2.gz UJDKPSPEZRTHTD-IBGZPJMESA-N 2 1 373.453 2.886 20 5 FFBDMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000573738595 518811199 /nfs/dbraw/zinc/81/11/99/518811199.db2.gz RFIJTMXFKGGKBD-OAHLLOKOSA-N 2 1 350.463 2.568 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478844 520406570 /nfs/dbraw/zinc/40/65/70/520406570.db2.gz KBSYNKOONYQHQZ-RDJZCZTQSA-N 2 1 360.458 2.696 20 5 FFBDMP CN(c1ccccc1)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000600773392 520461527 /nfs/dbraw/zinc/46/15/27/520461527.db2.gz HQJZGNAMJSMXEX-UHFFFAOYSA-N 2 1 358.442 2.770 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900940 520807999 /nfs/dbraw/zinc/80/79/99/520807999.db2.gz PKUQIIQWVLHSOX-WBVHZDCISA-N 2 1 374.485 2.942 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900937 520808287 /nfs/dbraw/zinc/80/82/87/520808287.db2.gz PKUQIIQWVLHSOX-DOTOQJQBSA-N 2 1 374.485 2.942 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901448 520808537 /nfs/dbraw/zinc/80/85/37/520808537.db2.gz WHJYQDZABYKXMV-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903980092 736198643 /nfs/dbraw/zinc/19/86/43/736198643.db2.gz HBLULJOEQMQLTK-CALCHBBNSA-N 2 1 364.877 2.649 20 5 FFBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073942 1014469291 /nfs/dbraw/zinc/46/92/91/1014469291.db2.gz WAUXUJJGPLDYBU-ZPQVWODMSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073942 1014469297 /nfs/dbraw/zinc/46/92/97/1014469297.db2.gz WAUXUJJGPLDYBU-ZPQVWODMSA-N 2 1 369.469 2.995 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000922390386 988546196 /nfs/dbraw/zinc/54/61/96/988546196.db2.gz ZDTFRCAAAHSGFQ-YMBVIXEUSA-N 2 1 359.470 2.677 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903959475 1016332898 /nfs/dbraw/zinc/33/28/98/1016332898.db2.gz IQVZTBXVHQJGKG-FQEVSTJZSA-N 2 1 369.469 2.961 20 5 FFBDMP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000866012301 1010906891 /nfs/dbraw/zinc/90/68/91/1010906891.db2.gz XKYYCWDXLOTDOW-HZPDHXFCSA-N 2 1 371.485 2.627 20 5 FFBDMP [NH3+]CCCc1[nH+]ccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013845 1012185025 /nfs/dbraw/zinc/18/50/25/1012185025.db2.gz GLJNWOXIQIONMQ-UHFFFAOYSA-N 2 1 365.384 2.802 20 5 FFBDMP C[NH+](C)/C=C/c1cc(-n2c(CC[NH3+])cc3ccccc32)ncc1[N+](=O)[O-] ZINC001160126319 1027602075 /nfs/dbraw/zinc/60/20/75/1027602075.db2.gz QCARAZNTUVUDIT-CSKARUKUSA-N 2 1 351.410 2.967 20 5 FFBDMP [NH3+]C[C@@]1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512019 1027732755 /nfs/dbraw/zinc/73/27/55/1027732755.db2.gz RJRIVWHJTNRUFB-QGZVFWFLSA-N 2 1 361.833 2.631 20 5 FFBDMP COc1cc(N2CCC([N@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101345 1038387603 /nfs/dbraw/zinc/38/76/03/1038387603.db2.gz FMPGJPWTXYBQDE-HNAYVOBHSA-N 2 1 374.485 2.598 20 5 FFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803520 507855430 /nfs/dbraw/zinc/85/54/30/507855430.db2.gz GBSYUKNNWJSSIG-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]21 ZINC000158661738 508736141 /nfs/dbraw/zinc/73/61/41/508736141.db2.gz SDFZJKDHEZVBTR-HOCLYGCPSA-N 2 1 357.414 2.561 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139917382 508797256 /nfs/dbraw/zinc/79/72/56/508797256.db2.gz AVESPDCOWVNIJK-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139917382 508797258 /nfs/dbraw/zinc/79/72/58/508797258.db2.gz AVESPDCOWVNIJK-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139917382 508797260 /nfs/dbraw/zinc/79/72/60/508797260.db2.gz AVESPDCOWVNIJK-QAPCUYQASA-N 2 1 360.458 2.648 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766434 509346208 /nfs/dbraw/zinc/34/62/08/509346208.db2.gz QYARXUCIYQMNAB-HZPDHXFCSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766434 509346216 /nfs/dbraw/zinc/34/62/16/509346216.db2.gz QYARXUCIYQMNAB-HZPDHXFCSA-N 2 1 374.485 2.800 20 5 FFBDMP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751026 509727041 /nfs/dbraw/zinc/72/70/41/509727041.db2.gz YLRLTFDFYVUNTI-UHFFFAOYSA-N 2 1 355.442 2.712 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433184 509929254 /nfs/dbraw/zinc/92/92/54/509929254.db2.gz PAIWRGMEBYZRNU-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433184 509929256 /nfs/dbraw/zinc/92/92/56/509929256.db2.gz PAIWRGMEBYZRNU-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433184 509929259 /nfs/dbraw/zinc/92/92/59/509929259.db2.gz PAIWRGMEBYZRNU-YJBOKZPZSA-N 2 1 362.474 2.894 20 5 FFBDMP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057709 510163006 /nfs/dbraw/zinc/16/30/06/510163006.db2.gz QTGXAEBDKMIXDQ-MRXNPFEDSA-N 2 1 362.474 2.538 20 5 FFBDMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057709 510163013 /nfs/dbraw/zinc/16/30/13/510163013.db2.gz QTGXAEBDKMIXDQ-MRXNPFEDSA-N 2 1 362.474 2.538 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292965004 511788174 /nfs/dbraw/zinc/78/81/74/511788174.db2.gz LTARZEQZZNCUSM-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292965004 511788181 /nfs/dbraw/zinc/78/81/81/511788181.db2.gz LTARZEQZZNCUSM-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292965004 511788184 /nfs/dbraw/zinc/78/81/84/511788184.db2.gz LTARZEQZZNCUSM-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366590282 512096944 /nfs/dbraw/zinc/09/69/44/512096944.db2.gz YHDNDHNJWBTDBT-UHFFFAOYSA-N 2 1 369.469 2.816 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366590282 512096945 /nfs/dbraw/zinc/09/69/45/512096945.db2.gz YHDNDHNJWBTDBT-UHFFFAOYSA-N 2 1 369.469 2.816 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073949 512650967 /nfs/dbraw/zinc/65/09/67/512650967.db2.gz GKWSQBZRRHFKFB-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073949 512650971 /nfs/dbraw/zinc/65/09/71/512650971.db2.gz GKWSQBZRRHFKFB-OAHLLOKOSA-N 2 1 360.458 2.730 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332984 514098099 /nfs/dbraw/zinc/09/80/99/514098099.db2.gz DUKHWMRJKNORDW-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340629 514101571 /nfs/dbraw/zinc/10/15/71/514101571.db2.gz MXOBJYSKCYLYNQ-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391077 514126144 /nfs/dbraw/zinc/12/61/44/514126144.db2.gz NXLKOSPLNCTJRR-RDJZCZTQSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110036 514446608 /nfs/dbraw/zinc/44/66/08/514446608.db2.gz OSTYUHPAVWCGAV-DLBZAZTESA-N 2 1 353.850 2.967 20 5 FFBDMP Cn1ccnc1[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721781 515769578 /nfs/dbraw/zinc/76/95/78/515769578.db2.gz AWKLXBXGFCNSJU-YJBOKZPZSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721781 515769589 /nfs/dbraw/zinc/76/95/89/515769589.db2.gz AWKLXBXGFCNSJU-YJBOKZPZSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721781 515769600 /nfs/dbraw/zinc/76/96/00/515769600.db2.gz AWKLXBXGFCNSJU-YJBOKZPZSA-N 2 1 357.458 2.739 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409434 517451829 /nfs/dbraw/zinc/45/18/29/517451829.db2.gz WTHRVMLOPLGPTL-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409434 517451838 /nfs/dbraw/zinc/45/18/38/517451838.db2.gz WTHRVMLOPLGPTL-OAHLLOKOSA-N 2 1 362.474 2.974 20 5 FFBDMP CC[N@H+](CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1)CC(C)C ZINC000539097804 517911411 /nfs/dbraw/zinc/91/14/11/517911411.db2.gz ZPWGNNGAFTZLFE-UHFFFAOYSA-N 2 1 351.495 2.908 20 5 FFBDMP CC[N@@H+](CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1)CC(C)C ZINC000539097804 517911417 /nfs/dbraw/zinc/91/14/17/517911417.db2.gz ZPWGNNGAFTZLFE-UHFFFAOYSA-N 2 1 351.495 2.908 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595005568 520252534 /nfs/dbraw/zinc/25/25/34/520252534.db2.gz AQDJEUHTGLKLHS-INIZCTEOSA-N 2 1 364.490 2.672 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756191 520450274 /nfs/dbraw/zinc/45/02/74/520450274.db2.gz HNBOFNYJBRFXOA-MRXNPFEDSA-N 2 1 353.850 2.839 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595434195 520468198 /nfs/dbraw/zinc/46/81/98/520468198.db2.gz ZEWQZUOVAARICB-UHFFFAOYSA-N 2 1 364.465 2.583 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900731 520804615 /nfs/dbraw/zinc/80/46/15/520804615.db2.gz JIJDNWLLSDOAFS-WBVHZDCISA-N 2 1 374.485 2.942 20 5 FFBDMP CC(C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCC1 ZINC000602508434 521386075 /nfs/dbraw/zinc/38/60/75/521386075.db2.gz CBQMUNAMNXCGTJ-GOSISDBHSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846563 521567682 /nfs/dbraw/zinc/56/76/82/521567682.db2.gz RMLBVFUADSLNLU-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000262015021 729657245 /nfs/dbraw/zinc/65/72/45/729657245.db2.gz VPMBNFKJSRRMFB-UHFFFAOYSA-N 2 1 354.838 2.508 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388216 747822513 /nfs/dbraw/zinc/82/25/13/747822513.db2.gz LPLSFYWREVXEDF-OLZOCXBDSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388216 747822521 /nfs/dbraw/zinc/82/25/21/747822521.db2.gz LPLSFYWREVXEDF-OLZOCXBDSA-N 2 1 366.849 2.508 20 5 FFBDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001175687788 1013539908 /nfs/dbraw/zinc/53/99/08/1013539908.db2.gz LUSVVBJWRDRIAP-UHFFFAOYSA-N 2 1 374.485 2.682 20 5 FFBDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001175687788 1013539917 /nfs/dbraw/zinc/53/99/17/1013539917.db2.gz LUSVVBJWRDRIAP-UHFFFAOYSA-N 2 1 374.485 2.682 20 5 FFBDMP COc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903090859 979991792 /nfs/dbraw/zinc/99/17/92/979991792.db2.gz IJSZPHSNSRHMCF-HNNXBMFYSA-N 2 1 364.490 2.528 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411375 980269918 /nfs/dbraw/zinc/26/99/18/980269918.db2.gz UXAMTQGVUXTRKZ-NWDGAFQWSA-N 2 1 373.400 2.664 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394092 988554433 /nfs/dbraw/zinc/55/44/33/988554433.db2.gz UQMNQMNQMNXRAM-LMCOJAPRSA-N 2 1 361.486 2.863 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903066348 1020659979 /nfs/dbraw/zinc/65/99/79/1020659979.db2.gz KTMURAJXQHAYLX-INIZCTEOSA-N 2 1 364.490 2.672 20 5 FFBDMP C[NH+](C)CC(=O)Nc1ccc2nc(O[C@H]3CC[NH2+]C3)c3ccccc3c2c1 ZINC001218182165 1033036764 /nfs/dbraw/zinc/03/67/64/1033036764.db2.gz PSNSHUUHUZLSAP-HNNXBMFYSA-N 2 1 364.449 2.629 20 5 FFBDMP C[C@@H]1[NH2+]C[C@@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001218385185 1033130734 /nfs/dbraw/zinc/13/07/34/1033130734.db2.gz GTLZUGAQKBXSDC-DJJJIMSYSA-N 2 1 364.449 2.627 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509786 1029725451 /nfs/dbraw/zinc/72/54/51/1029725451.db2.gz QVRDQORDRXMNDS-UONOGXRCSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509786 1029725459 /nfs/dbraw/zinc/72/54/59/1029725459.db2.gz QVRDQORDRXMNDS-UONOGXRCSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509786 1029725466 /nfs/dbraw/zinc/72/54/66/1029725466.db2.gz QVRDQORDRXMNDS-UONOGXRCSA-N 2 1 366.437 2.867 20 5 FFBDMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254482101 1040749182 /nfs/dbraw/zinc/74/91/82/1040749182.db2.gz IHTXMETWYRGWNL-CALCHBBNSA-N 2 1 358.486 2.837 20 5 FFBDMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254482101 1040749193 /nfs/dbraw/zinc/74/91/93/1040749193.db2.gz IHTXMETWYRGWNL-CALCHBBNSA-N 2 1 358.486 2.837 20 5 FFBDMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254482101 1040749213 /nfs/dbraw/zinc/74/92/13/1040749213.db2.gz IHTXMETWYRGWNL-CALCHBBNSA-N 2 1 358.486 2.837 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000267398030 251345241 /nfs/dbraw/zinc/34/52/41/251345241.db2.gz FHHSJYSHPAQTLG-KGLIPLIRSA-N 2 1 357.414 2.833 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657622 256223089 /nfs/dbraw/zinc/22/30/89/256223089.db2.gz ZOQMYAXHSNUWPH-QGZVFWFLSA-N 2 1 357.458 2.911 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657622 256223090 /nfs/dbraw/zinc/22/30/90/256223090.db2.gz ZOQMYAXHSNUWPH-QGZVFWFLSA-N 2 1 357.458 2.911 20 5 FFBDMP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000289410692 257279733 /nfs/dbraw/zinc/27/97/33/257279733.db2.gz HTQBLSJUCCFDIZ-UHFFFAOYSA-N 2 1 366.893 2.708 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631984 508199631 /nfs/dbraw/zinc/19/96/31/508199631.db2.gz PJMRTFCQDHBBQA-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631984 508199634 /nfs/dbraw/zinc/19/96/34/508199634.db2.gz PJMRTFCQDHBBQA-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631984 508199635 /nfs/dbraw/zinc/19/96/35/508199635.db2.gz PJMRTFCQDHBBQA-QGZVFWFLSA-N 2 1 374.485 2.896 20 5 FFBDMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085814 508545850 /nfs/dbraw/zinc/54/58/50/508545850.db2.gz QFLZIPXNGUPZHW-FUHWJXTLSA-N 2 1 362.474 2.613 20 5 FFBDMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085814 508545853 /nfs/dbraw/zinc/54/58/53/508545853.db2.gz QFLZIPXNGUPZHW-FUHWJXTLSA-N 2 1 362.474 2.613 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123509658 508697637 /nfs/dbraw/zinc/69/76/37/508697637.db2.gz LFABQHQQOHOZRH-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236810084 509508695 /nfs/dbraw/zinc/50/86/95/509508695.db2.gz CYFKHYCLJLOUJM-OAHLLOKOSA-N 2 1 357.458 2.817 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262107117 510179052 /nfs/dbraw/zinc/17/90/52/510179052.db2.gz JSMFGJXIZCXISC-QGZVFWFLSA-N 2 1 372.494 2.803 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710721 510628879 /nfs/dbraw/zinc/62/88/79/510628879.db2.gz FFFILKRZSWGHFJ-MPGHIAIKSA-N 2 1 360.458 2.646 20 5 FFBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385712 513572470 /nfs/dbraw/zinc/57/24/70/513572470.db2.gz SVOSMIFXQFURAJ-BMGDILEWSA-N 2 1 355.442 2.555 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423036628 514014252 /nfs/dbraw/zinc/01/42/52/514014252.db2.gz ATXACKXNUIHPIN-XHSDSOJGSA-N 2 1 353.850 2.537 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344288 514102718 /nfs/dbraw/zinc/10/27/18/514102718.db2.gz SNZJELLNLMEZPY-ARFHVFGLSA-N 2 1 360.458 2.552 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387046 514123081 /nfs/dbraw/zinc/12/30/81/514123081.db2.gz GGCRIUDADJZYCU-QAPCUYQASA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423508996 514155436 /nfs/dbraw/zinc/15/54/36/514155436.db2.gz LVJJVMJLWKKIKO-LBXVMSDZSA-N 2 1 358.486 2.778 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405248 514623747 /nfs/dbraw/zinc/62/37/47/514623747.db2.gz QEUUKCSQUMXSSB-SFHVURJKSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405248 514623754 /nfs/dbraw/zinc/62/37/54/514623754.db2.gz QEUUKCSQUMXSSB-SFHVURJKSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063711 515086648 /nfs/dbraw/zinc/08/66/48/515086648.db2.gz YACOUJSTAQWFKJ-LJQANCHMSA-N 2 1 355.442 2.571 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063711 515086661 /nfs/dbraw/zinc/08/66/61/515086661.db2.gz YACOUJSTAQWFKJ-LJQANCHMSA-N 2 1 355.442 2.571 20 5 FFBDMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459731228 515776634 /nfs/dbraw/zinc/77/66/34/515776634.db2.gz KYOVJRVIAMROGT-OAHLLOKOSA-N 2 1 357.458 2.817 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552054684 517052927 /nfs/dbraw/zinc/05/29/27/517052927.db2.gz JMFMMASKKLXOSJ-IBGZPJMESA-N 2 1 369.469 2.882 20 5 FFBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576101329 518430023 /nfs/dbraw/zinc/43/00/23/518430023.db2.gz PHYZZSKIAYXUOD-INIZCTEOSA-N 2 1 362.474 2.881 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000574414794 519145760 /nfs/dbraw/zinc/14/57/60/519145760.db2.gz OVLQTSHSJXCXSJ-IHPCNDPISA-N 2 1 359.470 2.940 20 5 FFBDMP CN(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000603109743 520083967 /nfs/dbraw/zinc/08/39/67/520083967.db2.gz HGCCTHMRPGRAAR-UHFFFAOYSA-N 2 1 362.474 2.756 20 5 FFBDMP CN(C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000603109743 520083976 /nfs/dbraw/zinc/08/39/76/520083976.db2.gz HGCCTHMRPGRAAR-UHFFFAOYSA-N 2 1 362.474 2.756 20 5 FFBDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132911 520206995 /nfs/dbraw/zinc/20/69/95/520206995.db2.gz PKRNTMOHDVIYGM-IYARVYRRSA-N 2 1 358.442 2.905 20 5 FFBDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132911 520207001 /nfs/dbraw/zinc/20/70/01/520207001.db2.gz PKRNTMOHDVIYGM-IYARVYRRSA-N 2 1 358.442 2.905 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492985 520417241 /nfs/dbraw/zinc/41/72/41/520417241.db2.gz LAFKKPKJURYOSQ-HZPDHXFCSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900231 520804401 /nfs/dbraw/zinc/80/44/01/520804401.db2.gz BSEHLUNWTJGORF-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCC[NH3+] ZINC000595904207 520811400 /nfs/dbraw/zinc/81/14/00/520811400.db2.gz ASKDDHCZYYJAPR-CZUORRHYSA-N 2 1 359.430 2.984 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099335 747269024 /nfs/dbraw/zinc/26/90/24/747269024.db2.gz IFYNBNKSDRSIGC-IAGOWNOFSA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120173 747776639 /nfs/dbraw/zinc/77/66/39/747776639.db2.gz JLBNREPGTOTAMP-UHFFFAOYSA-N 2 1 354.248 2.933 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387122 747821995 /nfs/dbraw/zinc/82/19/95/747821995.db2.gz FEFXJYPLBQTVHU-STQMWFEESA-N 2 1 366.849 2.508 20 5 FFBDMP Cc1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000873102214 1013386595 /nfs/dbraw/zinc/38/65/95/1013386595.db2.gz MNDVIXICFALGDN-IBGZPJMESA-N 2 1 355.438 2.760 20 5 FFBDMP C[N@H+]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC[C@H]21 ZINC000765102800 984963322 /nfs/dbraw/zinc/96/33/22/984963322.db2.gz ARQINOGTULVIOJ-QFBILLFUSA-N 2 1 355.442 2.832 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@H]1C(C)C ZINC000922395026 988555887 /nfs/dbraw/zinc/55/58/87/988555887.db2.gz PXTJJXHWUROENQ-AFYVEPGGSA-N 2 1 361.486 2.863 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH2+]CC2 ZINC000818340181 1007905692 /nfs/dbraw/zinc/90/56/92/1007905692.db2.gz JKRPBFBFBALMFX-ZDUSSCGKSA-N 2 1 364.421 2.527 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCC[C@](C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246548281 1039392992 /nfs/dbraw/zinc/39/29/92/1039392992.db2.gz FKNDLWGOFUHTKD-IBGZPJMESA-N 2 1 362.474 2.776 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001246559276 1039394362 /nfs/dbraw/zinc/39/43/62/1039394362.db2.gz OUWRSUPDUWQBET-RDBSUJKOSA-N 2 1 353.438 2.980 20 5 FFBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC001262379324 1041666619 /nfs/dbraw/zinc/66/66/19/1041666619.db2.gz XKKICSZPKPPPRS-OFQRWUPVSA-N 2 1 361.442 2.528 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157289347 508547332 /nfs/dbraw/zinc/54/73/32/508547332.db2.gz YXQNRIWIENUYGN-QGZVFWFLSA-N 2 1 360.458 2.874 20 5 FFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357626 509479862 /nfs/dbraw/zinc/47/98/62/509479862.db2.gz FWPNEMPFRIDJBM-HXUWFJFHSA-N 2 1 355.438 2.976 20 5 FFBDMP O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357653 509480231 /nfs/dbraw/zinc/48/02/31/509480231.db2.gz GMSVPQZUJDRPMX-LJQANCHMSA-N 2 1 355.438 2.976 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217794 511646709 /nfs/dbraw/zinc/64/67/09/511646709.db2.gz TUDLWNLDNCTKQN-RKVPGOIHSA-N 2 1 364.490 2.965 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217794 511646716 /nfs/dbraw/zinc/64/67/16/511646716.db2.gz TUDLWNLDNCTKQN-RKVPGOIHSA-N 2 1 364.490 2.965 20 5 FFBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386025 514119477 /nfs/dbraw/zinc/11/94/77/514119477.db2.gz UILVMZZKRCRUEF-DOTOQJQBSA-N 2 1 353.850 2.967 20 5 FFBDMP COc1cc(C[NH2+]C[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414881315 514338037 /nfs/dbraw/zinc/33/80/37/514338037.db2.gz SDMJKBAQOQSQIV-CQSZACIVSA-N 2 1 359.426 2.867 20 5 FFBDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907064 514349982 /nfs/dbraw/zinc/34/99/82/514349982.db2.gz AIGRMUCGXLKWDZ-VXGBXAGGSA-N 2 1 359.373 2.607 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387065 514619063 /nfs/dbraw/zinc/61/90/63/514619063.db2.gz ATUDIZWPNXCLGL-SFHVURJKSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387065 514619064 /nfs/dbraw/zinc/61/90/64/514619064.db2.gz ATUDIZWPNXCLGL-SFHVURJKSA-N 2 1 357.458 2.882 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000537630084 517267655 /nfs/dbraw/zinc/26/76/55/517267655.db2.gz LGCPEDMBTFYCMN-UHFFFAOYSA-N 2 1 351.447 2.536 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533271584 517377476 /nfs/dbraw/zinc/37/74/76/517377476.db2.gz BIQYCMWSIVIFTD-UHFFFAOYSA-N 2 1 362.474 2.976 20 5 FFBDMP CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579268674 518600923 /nfs/dbraw/zinc/60/09/23/518600923.db2.gz ORIRLLWUAWWSPI-SFHVURJKSA-N 2 1 357.458 2.739 20 5 FFBDMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000574453838 519162916 /nfs/dbraw/zinc/16/29/16/519162916.db2.gz ZNHMSEITHKEUQY-TXEJJXNPSA-N 2 1 371.384 2.636 20 5 FFBDMP CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580908554 519421829 /nfs/dbraw/zinc/42/18/29/519421829.db2.gz SXNNQGBYRNBHLQ-SFHVURJKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942762 520342991 /nfs/dbraw/zinc/34/29/91/520342991.db2.gz NSNDEYPIDGHKTL-HNNXBMFYSA-N 2 1 364.490 2.522 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942762 520342995 /nfs/dbraw/zinc/34/29/95/520342995.db2.gz NSNDEYPIDGHKTL-HNNXBMFYSA-N 2 1 364.490 2.522 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900781 520806146 /nfs/dbraw/zinc/80/61/46/520806146.db2.gz LDZAMUXLZMYIFT-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386325 747821546 /nfs/dbraw/zinc/82/15/46/747821546.db2.gz GSHUTJUGBYAFTA-CYBMUJFWSA-N 2 1 366.849 2.508 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000876988549 1014441556 /nfs/dbraw/zinc/44/15/56/1014441556.db2.gz GFEZVDCPZVIGJX-LMDPOFIKSA-N 2 1 369.469 2.997 20 5 FFBDMP C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168439 1014496175 /nfs/dbraw/zinc/49/61/75/1014496175.db2.gz UJBNMZSALXHTEE-SVUBNXHSSA-N 2 1 369.469 2.995 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000749675146 1021018708 /nfs/dbraw/zinc/01/87/08/1021018708.db2.gz XMMIQRTVESFAEI-NRFANRHFSA-N 2 1 369.465 2.925 20 5 FFBDMP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423672 1028164631 /nfs/dbraw/zinc/16/46/31/1028164631.db2.gz JDXKGHLVZXSWIQ-AVRDEDQJSA-N 2 1 359.473 2.779 20 5 FFBDMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246323292 1039313002 /nfs/dbraw/zinc/31/30/02/1039313002.db2.gz AFJVVZSKEVJZQD-INIZCTEOSA-N 2 1 368.428 2.820 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)CC2 ZINC001246658071 1039430821 /nfs/dbraw/zinc/43/08/21/1039430821.db2.gz TWNSOUIXOLSGLV-UXLLHSPISA-N 2 1 369.387 2.926 20 5 FFBDMP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560274 1040797976 /nfs/dbraw/zinc/79/79/76/1040797976.db2.gz REZRVAGGUORMLE-GOSISDBHSA-N 2 1 362.518 2.875 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001254583868 1040816948 /nfs/dbraw/zinc/81/69/48/1040816948.db2.gz OIRWOVDDFMIFES-FQEVSTJZSA-N 2 1 367.449 2.684 20 5 FFBDMP C[NH+](C)CCC[N@H+](C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559233244 1076137766 /nfs/dbraw/zinc/13/77/66/1076137766.db2.gz MCFPHNZRJTXXNW-UHFFFAOYSA-N 2 1 365.865 2.514 20 5 FFBDMP C[NH+](C)CCC[N@@H+](C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559233244 1076137768 /nfs/dbraw/zinc/13/77/68/1076137768.db2.gz MCFPHNZRJTXXNW-UHFFFAOYSA-N 2 1 365.865 2.514 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057847269 507341951 /nfs/dbraw/zinc/34/19/51/507341951.db2.gz UMBPWOUTIJNVCW-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000123579666 508709040 /nfs/dbraw/zinc/70/90/40/508709040.db2.gz YCRPMSSSXPFEJC-UHFFFAOYSA-N 2 1 362.474 2.611 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000268962971 510162822 /nfs/dbraw/zinc/16/28/22/510162822.db2.gz XTKZXXZCQCZLRP-RBUKOAKNSA-N 2 1 361.486 2.742 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247302642 510856105 /nfs/dbraw/zinc/85/61/05/510856105.db2.gz UVHXXHFGUIQRJF-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381142 513571040 /nfs/dbraw/zinc/57/10/40/513571040.db2.gz RPEIVROYSVAYOC-QGZVFWFLSA-N 2 1 371.437 2.963 20 5 FFBDMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381142 513571044 /nfs/dbraw/zinc/57/10/44/513571044.db2.gz RPEIVROYSVAYOC-QGZVFWFLSA-N 2 1 371.437 2.963 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081976 514034262 /nfs/dbraw/zinc/03/42/62/514034262.db2.gz DQQURTNSCMWNBQ-OWCLPIDISA-N 2 1 373.375 2.860 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344291 514103228 /nfs/dbraw/zinc/10/32/28/514103228.db2.gz SNZJELLNLMEZPY-XHSDSOJGSA-N 2 1 360.458 2.552 20 5 FFBDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481419 516574700 /nfs/dbraw/zinc/57/47/00/516574700.db2.gz PLVSMSZSICXOCQ-KRWDZBQOSA-N 2 1 360.483 2.735 20 5 FFBDMP COc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000602848062 519923658 /nfs/dbraw/zinc/92/36/58/519923658.db2.gz ZPVMRHDWKBUFKN-UHFFFAOYSA-N 2 1 360.389 2.850 20 5 FFBDMP COc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000602848062 519923664 /nfs/dbraw/zinc/92/36/64/519923664.db2.gz ZPVMRHDWKBUFKN-UHFFFAOYSA-N 2 1 360.389 2.850 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900783 520805265 /nfs/dbraw/zinc/80/52/65/520805265.db2.gz LDZAMUXLZMYIFT-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900408 520805917 /nfs/dbraw/zinc/80/59/17/520805917.db2.gz FMNXDZBHBZAXHZ-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP COc1c(O)ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000891745367 734471029 /nfs/dbraw/zinc/47/10/29/734471029.db2.gz HFAGQOCTWUBBRF-UHFFFAOYSA-N 2 1 351.447 2.861 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000768100854 737397908 /nfs/dbraw/zinc/39/79/08/737397908.db2.gz DFSOZXIAKWMJTG-OAGGEKHMSA-N 2 1 365.499 2.918 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000768100854 737397912 /nfs/dbraw/zinc/39/79/12/737397912.db2.gz DFSOZXIAKWMJTG-OAGGEKHMSA-N 2 1 365.499 2.918 20 5 FFBDMP Cc1nn(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121258404 959026256 /nfs/dbraw/zinc/02/62/56/959026256.db2.gz ISXOBDSLDZCVEF-SCLBCKFNSA-N 2 1 354.414 2.990 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000894377079 965117438 /nfs/dbraw/zinc/11/74/38/965117438.db2.gz YIJFTTURGFDCFB-UHFFFAOYSA-N 2 1 374.407 2.731 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000877968154 1014790406 /nfs/dbraw/zinc/79/04/06/1014790406.db2.gz JSSSLNAGOUQUQP-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765755276 985462117 /nfs/dbraw/zinc/46/21/17/985462117.db2.gz RQEVDRYOXNRNTR-HNNXBMFYSA-N 2 1 357.458 2.994 20 5 FFBDMP COc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c([N+](=O)[O-])cc1C ZINC000853456681 1006396367 /nfs/dbraw/zinc/39/63/67/1006396367.db2.gz AVAPAOZYFRFTBA-SJPCQFCGSA-N 2 1 374.485 2.659 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920328 1012636952 /nfs/dbraw/zinc/63/69/52/1012636952.db2.gz CTFQDUONBQXZMU-CAQIIQHBSA-N 2 1 374.485 2.633 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920328 1012636961 /nfs/dbraw/zinc/63/69/61/1012636961.db2.gz CTFQDUONBQXZMU-CAQIIQHBSA-N 2 1 374.485 2.633 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798141 1017851426 /nfs/dbraw/zinc/85/14/26/1017851426.db2.gz QRILWMIIILJEPR-QZTJIDSGSA-N 2 1 359.470 2.664 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094096 1038378710 /nfs/dbraw/zinc/37/87/10/1038378710.db2.gz GLKVUSRFMHFCRX-PBHICJAKSA-N 2 1 362.474 2.502 20 5 FFBDMP COc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094096 1038378723 /nfs/dbraw/zinc/37/87/23/1038378723.db2.gz GLKVUSRFMHFCRX-PBHICJAKSA-N 2 1 362.474 2.502 20 5 FFBDMP CC[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001308659732 1052483449 /nfs/dbraw/zinc/48/34/49/1052483449.db2.gz AMWJDZNDPKRMJE-FQEVSTJZSA-N 2 1 361.486 2.960 20 5 FFBDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769973 250046220 /nfs/dbraw/zinc/04/62/20/250046220.db2.gz YVAVLNHUOHCSAY-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769973 250046225 /nfs/dbraw/zinc/04/62/25/250046225.db2.gz YVAVLNHUOHCSAY-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769973 250046231 /nfs/dbraw/zinc/04/62/31/250046231.db2.gz YVAVLNHUOHCSAY-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769973 250046232 /nfs/dbraw/zinc/04/62/32/250046232.db2.gz YVAVLNHUOHCSAY-HNNXBMFYSA-N 2 1 357.458 2.769 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847278 507341450 /nfs/dbraw/zinc/34/14/50/507341450.db2.gz ZWGXKRHKHIOCOP-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000159234178 508812230 /nfs/dbraw/zinc/81/22/30/508812230.db2.gz XWUABLDAYAZESK-MOPGFXCFSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000159234178 508812233 /nfs/dbraw/zinc/81/22/33/508812233.db2.gz XWUABLDAYAZESK-MOPGFXCFSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000159234178 508812236 /nfs/dbraw/zinc/81/22/36/508812236.db2.gz XWUABLDAYAZESK-MOPGFXCFSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000159234178 508812237 /nfs/dbraw/zinc/81/22/37/508812237.db2.gz XWUABLDAYAZESK-MOPGFXCFSA-N 2 1 369.469 2.778 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569852 510014656 /nfs/dbraw/zinc/01/46/56/510014656.db2.gz YSILAMZJZXBKFV-AZUAARDMSA-N 2 1 374.529 2.923 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292212278 511507807 /nfs/dbraw/zinc/50/78/07/511507807.db2.gz UESHDRGNVAKQTG-UGSOOPFHSA-N 2 1 357.414 2.733 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430583974 513696899 /nfs/dbraw/zinc/69/68/99/513696899.db2.gz NTQUXZNHHNQRMA-UHFFFAOYSA-N 2 1 360.458 2.696 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879031 513802455 /nfs/dbraw/zinc/80/24/55/513802455.db2.gz UZHUGDDHCSXRQI-PKOBYXMFSA-N 2 1 374.529 2.922 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332138 514098062 /nfs/dbraw/zinc/09/80/62/514098062.db2.gz CRFFEQWPAVGUCE-RHSMWYFYSA-N 2 1 360.458 2.694 20 5 FFBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000594736107 520123034 /nfs/dbraw/zinc/12/30/34/520123034.db2.gz PWXIAYJONSUZOB-HNNXBMFYSA-N 2 1 361.442 2.578 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900409 520805831 /nfs/dbraw/zinc/80/58/31/520805831.db2.gz FMNXDZBHBZAXHZ-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901309 520808422 /nfs/dbraw/zinc/80/84/22/520808422.db2.gz VFKAADMCWJQREO-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP CC(C)C[N@@H+](C)CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593646940 521128991 /nfs/dbraw/zinc/12/89/91/521128991.db2.gz UFWNLTZNZIQAEB-SFHVURJKSA-N 2 1 359.474 2.985 20 5 FFBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504069 521383711 /nfs/dbraw/zinc/38/37/11/521383711.db2.gz RPBSHHOMAIWHMW-INIZCTEOSA-N 2 1 361.490 2.813 20 5 FFBDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602516590 521389945 /nfs/dbraw/zinc/38/99/45/521389945.db2.gz NZKXRCALEFLQAC-UHFFFAOYSA-N 2 1 370.409 2.966 20 5 FFBDMP COc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223415 731892544 /nfs/dbraw/zinc/89/25/44/731892544.db2.gz MFAVBIJQRLPWFR-SFHVURJKSA-N 2 1 351.447 2.809 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223415 731892546 /nfs/dbraw/zinc/89/25/46/731892546.db2.gz MFAVBIJQRLPWFR-SFHVURJKSA-N 2 1 351.447 2.809 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510917 736103984 /nfs/dbraw/zinc/10/39/84/736103984.db2.gz UNHNSJDIKXXJRB-CALCHBBNSA-N 2 1 364.877 2.649 20 5 FFBDMP C[NH+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774636123 738007882 /nfs/dbraw/zinc/00/78/82/738007882.db2.gz LTSUGJWTVOHOJT-UHFFFAOYSA-N 2 1 351.838 2.829 20 5 FFBDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385381 738134850 /nfs/dbraw/zinc/13/48/50/738134850.db2.gz ASZDZKJNAYTHMH-BRSBDYLESA-N 2 1 367.877 2.818 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387595 747822113 /nfs/dbraw/zinc/82/21/13/747822113.db2.gz UKZGEFJEDRMURA-RWMBFGLXSA-N 2 1 366.849 2.507 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387595 747822121 /nfs/dbraw/zinc/82/21/21/747822121.db2.gz UKZGEFJEDRMURA-RWMBFGLXSA-N 2 1 366.849 2.507 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902201 748131756 /nfs/dbraw/zinc/13/17/56/748131756.db2.gz KZGIVXHBXUNEKP-SUYBPPKGSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902198 748132047 /nfs/dbraw/zinc/13/20/47/748132047.db2.gz KZGIVXHBXUNEKP-DXCKQFNASA-N 2 1 353.850 2.967 20 5 FFBDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000262082595 963105206 /nfs/dbraw/zinc/10/52/06/963105206.db2.gz TYXMXONOAPXYQH-UHFFFAOYSA-N 2 1 371.384 2.780 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000877007458 1014447426 /nfs/dbraw/zinc/44/74/26/1014447426.db2.gz QXIPFXVSNHHLEQ-LMDPOFIKSA-N 2 1 369.469 2.649 20 5 FFBDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128823633 979981702 /nfs/dbraw/zinc/98/17/02/979981702.db2.gz IXOXRMVKGOHGTD-UHFFFAOYSA-N 2 1 366.437 2.869 20 5 FFBDMP CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000764144209 984314149 /nfs/dbraw/zinc/31/41/49/984314149.db2.gz WGSDXLCGQUABLB-MRXNPFEDSA-N 2 1 369.469 2.748 20 5 FFBDMP CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000764144209 984314155 /nfs/dbraw/zinc/31/41/55/984314155.db2.gz WGSDXLCGQUABLB-MRXNPFEDSA-N 2 1 369.469 2.748 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000878550157 1015096744 /nfs/dbraw/zinc/09/67/44/1015096744.db2.gz WMWQMTYUMDHOMQ-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879127556 1015375871 /nfs/dbraw/zinc/37/58/71/1015375871.db2.gz YEYANYQJCRMVPA-UHFFFAOYSA-N 2 1 369.437 2.533 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337156 991075353 /nfs/dbraw/zinc/07/53/53/991075353.db2.gz XFRKRKIIGGDCJM-UYAOXDASSA-N 2 1 370.453 2.668 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337156 991075361 /nfs/dbraw/zinc/07/53/61/991075361.db2.gz XFRKRKIIGGDCJM-UYAOXDASSA-N 2 1 370.453 2.668 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130591907 1009350138 /nfs/dbraw/zinc/35/01/38/1009350138.db2.gz BXJLJLULNAVHDW-CQSZACIVSA-N 2 1 359.430 2.757 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130591907 1009350151 /nfs/dbraw/zinc/35/01/51/1009350151.db2.gz BXJLJLULNAVHDW-CQSZACIVSA-N 2 1 359.430 2.757 20 5 FFBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014929 1012187293 /nfs/dbraw/zinc/18/72/93/1012187293.db2.gz WOZUKYJIEWLORX-YVEFUNNKSA-N 2 1 368.428 2.772 20 5 FFBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014929 1012187301 /nfs/dbraw/zinc/18/73/01/1012187301.db2.gz WOZUKYJIEWLORX-YVEFUNNKSA-N 2 1 368.428 2.772 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC001173180579 1012324606 /nfs/dbraw/zinc/32/46/06/1012324606.db2.gz WWJZTVNGWUVQGB-YIYPIFLZSA-N 2 1 351.422 2.888 20 5 FFBDMP O=[N+]([O-])c1ccc(OCCCN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931284288 1020402457 /nfs/dbraw/zinc/40/24/57/1020402457.db2.gz RBJXWAQQZRZLDR-UHFFFAOYSA-N 2 1 363.458 2.550 20 5 FFBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(N3CCCOCC3)CC2)cc1 ZINC000931284288 1020402462 /nfs/dbraw/zinc/40/24/62/1020402462.db2.gz RBJXWAQQZRZLDR-UHFFFAOYSA-N 2 1 363.458 2.550 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612935 1029345064 /nfs/dbraw/zinc/34/50/64/1029345064.db2.gz PVSFQTYFORKIIQ-LNENJAERSA-N 2 1 367.453 2.543 20 5 FFBDMP Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229898165 1036968406 /nfs/dbraw/zinc/96/84/06/1036968406.db2.gz UGSBBTBIGUINGN-INIZCTEOSA-N 2 1 355.506 2.817 20 5 FFBDMP Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229898165 1036968426 /nfs/dbraw/zinc/96/84/26/1036968426.db2.gz UGSBBTBIGUINGN-INIZCTEOSA-N 2 1 355.506 2.817 20 5 FFBDMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572179 1039402462 /nfs/dbraw/zinc/40/24/62/1039402462.db2.gz UVDNNOUDXGLPRA-CJNGLKHVSA-N 2 1 372.391 2.603 20 5 FFBDMP [NH3+][C@H]1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572179 1039402472 /nfs/dbraw/zinc/40/24/72/1039402472.db2.gz UVDNNOUDXGLPRA-CJNGLKHVSA-N 2 1 372.391 2.603 20 5 FFBDMP COc1ccc(OCC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001460801030 1061109084 /nfs/dbraw/zinc/10/90/84/1061109084.db2.gz KSIBZAVNNASMNO-OAHLLOKOSA-N 2 1 372.425 2.588 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001460801030 1061109090 /nfs/dbraw/zinc/10/90/90/1061109090.db2.gz KSIBZAVNNASMNO-OAHLLOKOSA-N 2 1 372.425 2.588 20 5 FFBDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058803 508918769 /nfs/dbraw/zinc/91/87/69/508918769.db2.gz ZTBSXGKZNGLNPN-ROUUACIJSA-N 2 1 360.502 2.628 20 5 FFBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236932799 509536548 /nfs/dbraw/zinc/53/65/48/509536548.db2.gz LEBOESTVORFBOG-OAHLLOKOSA-N 2 1 357.458 2.817 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953347 509873951 /nfs/dbraw/zinc/87/39/51/509873951.db2.gz KHMLPTSUWJAXDM-UHFFFAOYSA-N 2 1 363.458 2.680 20 5 FFBDMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000271121916 511088782 /nfs/dbraw/zinc/08/87/82/511088782.db2.gz JQQCFQPGGNMJJK-WBVHZDCISA-N 2 1 365.474 2.881 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271481720 511219290 /nfs/dbraw/zinc/21/92/90/511219290.db2.gz NPSMRMKGRIXIGK-QFBILLFUSA-N 2 1 365.474 2.700 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293054531 511823009 /nfs/dbraw/zinc/82/30/09/511823009.db2.gz UEVKTORKJLCGAL-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293054531 511823016 /nfs/dbraw/zinc/82/30/16/511823016.db2.gz UEVKTORKJLCGAL-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715452 513909867 /nfs/dbraw/zinc/90/98/67/513909867.db2.gz MEJYGEBOALSARO-PXNSSMCTSA-N 2 1 369.421 2.949 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340628 514100931 /nfs/dbraw/zinc/10/09/31/514100931.db2.gz MXOBJYSKCYLYNQ-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000423526129 514162540 /nfs/dbraw/zinc/16/25/40/514162540.db2.gz YYKWETKIBWLZRQ-SOAGJPPSSA-N 2 1 372.513 2.722 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415135247 514461958 /nfs/dbraw/zinc/46/19/58/514461958.db2.gz PZHYDLCTVNIZPN-UHFFFAOYSA-N 2 1 368.481 2.986 20 5 FFBDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000511824553 516044450 /nfs/dbraw/zinc/04/44/50/516044450.db2.gz USYYBEOSEYDGIK-UHFFFAOYSA-N 2 1 368.481 2.844 20 5 FFBDMP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000566303565 519423346 /nfs/dbraw/zinc/42/33/46/519423346.db2.gz CGUCRMJMHLASNI-CQSZACIVSA-N 2 1 360.483 2.788 20 5 FFBDMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836178 520140466 /nfs/dbraw/zinc/14/04/66/520140466.db2.gz NDFQMCOSAKMQIW-AEFFLSMTSA-N 2 1 355.442 2.712 20 5 FFBDMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836178 520140475 /nfs/dbraw/zinc/14/04/75/520140475.db2.gz NDFQMCOSAKMQIW-AEFFLSMTSA-N 2 1 355.442 2.712 20 5 FFBDMP CC(C)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942344 520340907 /nfs/dbraw/zinc/34/09/07/520340907.db2.gz LQQLCXJLXGXTLR-HNNXBMFYSA-N 2 1 364.490 2.720 20 5 FFBDMP CC(C)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942344 520340916 /nfs/dbraw/zinc/34/09/16/520340916.db2.gz LQQLCXJLXGXTLR-HNNXBMFYSA-N 2 1 364.490 2.720 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493524 520415690 /nfs/dbraw/zinc/41/56/90/520415690.db2.gz UBORCMQXIKAKSB-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493002 520416273 /nfs/dbraw/zinc/41/62/73/520416273.db2.gz LGPCFSNHDHSLQE-SJORKVTESA-N 2 1 374.485 2.943 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494016 520416727 /nfs/dbraw/zinc/41/67/27/520416727.db2.gz ZHJZLYUSVJSRHO-JKSUJKDBSA-N 2 1 360.458 2.635 20 5 FFBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600771801 520459458 /nfs/dbraw/zinc/45/94/58/520459458.db2.gz BFODKVBQRXRESE-UHFFFAOYSA-N 2 1 353.806 2.915 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901292 520807830 /nfs/dbraw/zinc/80/78/30/520807830.db2.gz UUEAVHDNCMVHTI-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522097 521392554 /nfs/dbraw/zinc/39/25/54/521392554.db2.gz CULABGKXQJDTIO-CVEARBPZSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522097 521392561 /nfs/dbraw/zinc/39/25/61/521392561.db2.gz CULABGKXQJDTIO-CVEARBPZSA-N 2 1 361.490 2.669 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394540 738136813 /nfs/dbraw/zinc/13/68/13/738136813.db2.gz XBJASLBKKKGERX-MUIFIZLQSA-N 2 1 353.488 2.616 20 5 FFBDMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CC[NH3+] ZINC000846225406 748434074 /nfs/dbraw/zinc/43/40/74/748434074.db2.gz ASPDCUZDUIFHTI-LRDDRELGSA-N 2 1 352.410 2.512 20 5 FFBDMP Cc1c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000873135557 1013397948 /nfs/dbraw/zinc/39/79/48/1013397948.db2.gz JRFHJDFMNQYYAO-LJQANCHMSA-N 2 1 355.438 2.760 20 5 FFBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000876970989 1014436474 /nfs/dbraw/zinc/43/64/74/1014436474.db2.gz ISGICSYEDPVSLS-UHFFFAOYSA-N 2 1 370.388 2.918 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016291 1008024796 /nfs/dbraw/zinc/02/47/96/1008024796.db2.gz WUNFZMFPRUVYMT-NQIIRXRSSA-N 2 1 369.465 2.782 20 5 FFBDMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011691 1012181555 /nfs/dbraw/zinc/18/15/55/1012181555.db2.gz JNEJZLQUFMAQKP-ZDUSSCGKSA-N 2 1 368.428 2.916 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001173184069 1012327064 /nfs/dbraw/zinc/32/70/64/1012327064.db2.gz CQNRFNKTAIDFOX-MJBXVCDLSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001173184069 1012327073 /nfs/dbraw/zinc/32/70/73/1012327073.db2.gz CQNRFNKTAIDFOX-MJBXVCDLSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001173184069 1012327120 /nfs/dbraw/zinc/32/71/20/1012327120.db2.gz CQNRFNKTAIDFOX-MJBXVCDLSA-N 2 1 351.422 2.557 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001173184069 1012327141 /nfs/dbraw/zinc/32/71/41/1012327141.db2.gz CQNRFNKTAIDFOX-MJBXVCDLSA-N 2 1 351.422 2.557 20 5 FFBDMP Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245847793 1025560622 /nfs/dbraw/zinc/56/06/22/1025560622.db2.gz ISXOBDSLDZCVEF-ACJLOTCBSA-N 2 1 354.414 2.990 20 5 FFBDMP Cc1nn(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245847793 1025560626 /nfs/dbraw/zinc/56/06/26/1025560626.db2.gz ISXOBDSLDZCVEF-ACJLOTCBSA-N 2 1 354.414 2.990 20 5 FFBDMP COc1cccc([C@H](C[NH3+])Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)c1 ZINC001163309621 1028885799 /nfs/dbraw/zinc/88/57/99/1028885799.db2.gz NIRDCOMBSWFDCU-WAVCKPEOSA-N 2 1 357.414 2.643 20 5 FFBDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000843054821 1031163931 /nfs/dbraw/zinc/16/39/31/1031163931.db2.gz JGEMTVJTNPWMIW-UHFFFAOYSA-N 2 1 373.400 2.949 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160908 1039262739 /nfs/dbraw/zinc/26/27/39/1039262739.db2.gz PXADDQOZKFYWBY-YSIASYRMSA-N 2 1 359.470 2.733 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)c1F ZINC001246299962 1039302476 /nfs/dbraw/zinc/30/24/76/1039302476.db2.gz NQOOFENYBWEOFD-HIFRSBDPSA-N 2 1 361.417 2.833 20 5 FFBDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246546049 1039389924 /nfs/dbraw/zinc/38/99/24/1039389924.db2.gz MNJMJTRVYYNPOL-AAEUAGOBSA-N 2 1 354.401 2.653 20 5 FFBDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246546049 1039389936 /nfs/dbraw/zinc/38/99/36/1039389936.db2.gz MNJMJTRVYYNPOL-AAEUAGOBSA-N 2 1 354.401 2.653 20 5 FFBDMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572808 1039402376 /nfs/dbraw/zinc/40/23/76/1039402376.db2.gz UVDNNOUDXGLPRA-XJKSGUPXSA-N 2 1 372.391 2.603 20 5 FFBDMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572808 1039402385 /nfs/dbraw/zinc/40/23/85/1039402385.db2.gz UVDNNOUDXGLPRA-XJKSGUPXSA-N 2 1 372.391 2.603 20 5 FFBDMP O=[N+]([O-])c1ncccc1C[N@@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580876882 1078882265 /nfs/dbraw/zinc/88/22/65/1078882265.db2.gz YGZMUCNTGIPAGG-UHFFFAOYSA-N 2 1 354.410 2.507 20 5 FFBDMP O=[N+]([O-])c1ncccc1C[N@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580876882 1078882272 /nfs/dbraw/zinc/88/22/72/1078882272.db2.gz YGZMUCNTGIPAGG-UHFFFAOYSA-N 2 1 354.410 2.507 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105442855 250213851 /nfs/dbraw/zinc/21/38/51/250213851.db2.gz XUEJZXRMVCCASL-AWEZNQCLSA-N 2 1 368.441 2.926 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470371 252046131 /nfs/dbraw/zinc/04/61/31/252046131.db2.gz AEZATNVNKGTGLS-SFHVURJKSA-N 2 1 357.458 2.739 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279071623 256378202 /nfs/dbraw/zinc/37/82/02/256378202.db2.gz LUOUIDOJMWBIBO-LJQANCHMSA-N 2 1 360.502 2.934 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057847156 507341937 /nfs/dbraw/zinc/34/19/37/507341937.db2.gz OAYNIFFAOZVGCW-OAHLLOKOSA-N 2 1 362.474 2.976 20 5 FFBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000075007661 508076574 /nfs/dbraw/zinc/07/65/74/508076574.db2.gz WAUJVHSNIBECAX-UHFFFAOYSA-N 2 1 365.474 2.926 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095207 508137337 /nfs/dbraw/zinc/13/73/37/508137337.db2.gz PAIWRGMEBYZRNU-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095207 508137338 /nfs/dbraw/zinc/13/73/38/508137338.db2.gz PAIWRGMEBYZRNU-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095207 508137339 /nfs/dbraw/zinc/13/73/39/508137339.db2.gz PAIWRGMEBYZRNU-QAPCUYQASA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139853970 508796228 /nfs/dbraw/zinc/79/62/28/508796228.db2.gz UVHXXHFGUIQRJF-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139853970 508796229 /nfs/dbraw/zinc/79/62/29/508796229.db2.gz UVHXXHFGUIQRJF-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139853970 508796233 /nfs/dbraw/zinc/79/62/33/508796233.db2.gz UVHXXHFGUIQRJF-CRAIPNDOSA-N 2 1 360.458 2.648 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569866 510015090 /nfs/dbraw/zinc/01/50/90/510015090.db2.gz YSILAMZJZXBKFV-QUCCMNQESA-N 2 1 374.529 2.923 20 5 FFBDMP [NH3+]C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000261878938 510099370 /nfs/dbraw/zinc/09/93/70/510099370.db2.gz YFPKWQJNLQEUMG-ZBFHGGJFSA-N 2 1 352.394 2.910 20 5 FFBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000261878938 510099377 /nfs/dbraw/zinc/09/93/77/510099377.db2.gz YFPKWQJNLQEUMG-ZBFHGGJFSA-N 2 1 352.394 2.910 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000268962967 510162471 /nfs/dbraw/zinc/16/24/71/510162471.db2.gz XTKZXXZCQCZLRP-MOPGFXCFSA-N 2 1 361.486 2.742 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292965009 511788829 /nfs/dbraw/zinc/78/88/29/511788829.db2.gz LTARZEQZZNCUSM-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292965009 511788836 /nfs/dbraw/zinc/78/88/36/511788836.db2.gz LTARZEQZZNCUSM-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292965009 511788842 /nfs/dbraw/zinc/78/88/42/511788842.db2.gz LTARZEQZZNCUSM-LJQANCHMSA-N 2 1 360.458 2.650 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000368331454 512902937 /nfs/dbraw/zinc/90/29/37/512902937.db2.gz JORCRFVYHGHFTM-UHFFFAOYSA-N 2 1 352.504 2.506 20 5 FFBDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421366621 513238441 /nfs/dbraw/zinc/23/84/41/513238441.db2.gz CUVLLFROOYPXJB-UHFFFAOYSA-N 2 1 360.502 2.895 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423036627 514014198 /nfs/dbraw/zinc/01/41/98/514014198.db2.gz ATXACKXNUIHPIN-OAGGEKHMSA-N 2 1 353.850 2.537 20 5 FFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423414895 514135339 /nfs/dbraw/zinc/13/53/39/514135339.db2.gz OAYHSWUDDAIEEJ-WMLDXEAASA-N 2 1 353.488 2.824 20 5 FFBDMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289061 514447355 /nfs/dbraw/zinc/44/73/55/514447355.db2.gz LILVSDDWBHNEGZ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289061 514447365 /nfs/dbraw/zinc/44/73/65/514447365.db2.gz LILVSDDWBHNEGZ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000592428422 520388148 /nfs/dbraw/zinc/38/81/48/520388148.db2.gz KSZZWYBBLHQTKB-UHFFFAOYSA-N 2 1 360.483 2.660 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492823 520415393 /nfs/dbraw/zinc/41/53/93/520415393.db2.gz DJZLNBOLVZQACJ-OAGGEKHMSA-N 2 1 360.458 2.633 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492976 520416072 /nfs/dbraw/zinc/41/60/72/520416072.db2.gz KEERMHCJHQPWRL-HOTGVXAUSA-N 2 1 360.458 2.635 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505022 520513474 /nfs/dbraw/zinc/51/34/74/520513474.db2.gz PKTZHOBACJDRJO-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505022 520513484 /nfs/dbraw/zinc/51/34/84/520513484.db2.gz PKTZHOBACJDRJO-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505022 520513493 /nfs/dbraw/zinc/51/34/93/520513493.db2.gz PKTZHOBACJDRJO-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596359615 521040299 /nfs/dbraw/zinc/04/02/99/521040299.db2.gz BLDDPRLEJVPXAW-NSHDSACASA-N 2 1 363.384 2.693 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596359615 521040308 /nfs/dbraw/zinc/04/03/08/521040308.db2.gz BLDDPRLEJVPXAW-NSHDSACASA-N 2 1 363.384 2.693 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602809366 521545551 /nfs/dbraw/zinc/54/55/51/521545551.db2.gz BXADCXHULZBGMD-YJBOKZPZSA-N 2 1 357.458 2.600 20 5 FFBDMP [NH3+]CCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923299101 738267294 /nfs/dbraw/zinc/26/72/94/738267294.db2.gz XLQSJPPPHQHPQK-UHFFFAOYSA-N 2 1 372.263 2.687 20 5 FFBDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000843055340 747757788 /nfs/dbraw/zinc/75/77/88/747757788.db2.gz ZILVQQWHDMTHNE-UHFFFAOYSA-N 2 1 359.373 2.907 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781098 1014390003 /nfs/dbraw/zinc/39/00/03/1014390003.db2.gz CTQBWSWOVQNIQD-APWZRJJASA-N 2 1 360.502 2.669 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781098 1014390023 /nfs/dbraw/zinc/39/00/23/1014390023.db2.gz CTQBWSWOVQNIQD-APWZRJJASA-N 2 1 360.502 2.669 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411378 980270022 /nfs/dbraw/zinc/27/00/22/980270022.db2.gz UXAMTQGVUXTRKZ-RYUDHWBXSA-N 2 1 373.400 2.664 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@H]1C(C)C ZINC000922395039 988557065 /nfs/dbraw/zinc/55/70/65/988557065.db2.gz PXTJJXHWUROENQ-VBSBHUPXSA-N 2 1 361.486 2.863 20 5 FFBDMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000903886979 1016289372 /nfs/dbraw/zinc/28/93/72/1016289372.db2.gz WEBGZPCEYZLULY-KRWDZBQOSA-N 2 1 359.474 2.665 20 5 FFBDMP Cc1c(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618444 1004838116 /nfs/dbraw/zinc/83/81/16/1004838116.db2.gz ZQOOYEKZXTWQDH-HXUWFJFHSA-N 2 1 368.481 2.982 20 5 FFBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000859213699 1008488236 /nfs/dbraw/zinc/48/82/36/1008488236.db2.gz ZUTODGGAQKKICO-SFHVURJKSA-N 2 1 373.453 2.528 20 5 FFBDMP COc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903090860 1020672354 /nfs/dbraw/zinc/67/23/54/1020672354.db2.gz IJSZPHSNSRHMCF-OAHLLOKOSA-N 2 1 364.490 2.528 20 5 FFBDMP C[N@@H+]1CCc2c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966711 1028738508 /nfs/dbraw/zinc/73/85/08/1028738508.db2.gz IHCYFZQXQWXJEQ-HNNXBMFYSA-N 2 1 374.485 2.543 20 5 FFBDMP C[N@H+]1CCc2c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966711 1028738527 /nfs/dbraw/zinc/73/85/27/1028738527.db2.gz IHCYFZQXQWXJEQ-HNNXBMFYSA-N 2 1 374.485 2.543 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165351035 1029953714 /nfs/dbraw/zinc/95/37/14/1029953714.db2.gz NKPNMAHLWMVWLK-KBSZCIAZSA-N 2 1 365.437 2.598 20 5 FFBDMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474332 1030750506 /nfs/dbraw/zinc/75/05/06/1030750506.db2.gz NVKQSYULAPZNMB-DYVFJYSZSA-N 2 1 364.421 2.527 20 5 FFBDMP CCC[N@@H+](CCC[NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084434 1038369102 /nfs/dbraw/zinc/36/91/02/1038369102.db2.gz DAJCDLJOALJOPL-UHFFFAOYSA-N 2 1 350.463 2.633 20 5 FFBDMP COc1cc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087575 1038372575 /nfs/dbraw/zinc/37/25/75/1038372575.db2.gz GDRHIKXEFOYVOJ-UHFFFAOYSA-N 2 1 374.485 2.789 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001254547833 1040790885 /nfs/dbraw/zinc/79/08/85/1040790885.db2.gz YFTARMGEFNBGFP-MRXNPFEDSA-N 2 1 354.454 2.957 20 5 FFBDMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001308659733 1052483381 /nfs/dbraw/zinc/48/33/81/1052483381.db2.gz AMWJDZNDPKRMJE-HXUWFJFHSA-N 2 1 361.486 2.960 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001461994115 1061473369 /nfs/dbraw/zinc/47/33/69/1061473369.db2.gz GKHNNEWWFJBJGT-NRFANRHFSA-N 2 1 369.465 2.884 20 5 FFBDMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000106468524 250270896 /nfs/dbraw/zinc/27/08/96/250270896.db2.gz AAWWPDBYDJPVDQ-GASCZTMLSA-N 2 1 351.447 2.582 20 5 FFBDMP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000123243400 508657721 /nfs/dbraw/zinc/65/77/21/508657721.db2.gz RQLGNVIGSYYEFI-UHFFFAOYSA-N 2 1 374.485 2.538 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433183 509928751 /nfs/dbraw/zinc/92/87/51/509928751.db2.gz PAIWRGMEBYZRNU-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433183 509928754 /nfs/dbraw/zinc/92/87/54/509928754.db2.gz PAIWRGMEBYZRNU-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433183 509928757 /nfs/dbraw/zinc/92/87/57/509928757.db2.gz PAIWRGMEBYZRNU-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271117668 511089189 /nfs/dbraw/zinc/08/91/89/511089189.db2.gz ITUWPOOKJOJXKY-OAHLLOKOSA-N 2 1 367.515 2.902 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc([N+](=O)[O-])s1 ZINC000374494241 512859102 /nfs/dbraw/zinc/85/91/02/512859102.db2.gz CFMGEROERRUTHM-UHFFFAOYSA-N 2 1 367.519 2.684 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000441374355 513554573 /nfs/dbraw/zinc/55/45/73/513554573.db2.gz FCUBLRGOZHLZMN-UHFFFAOYSA-N 2 1 372.469 2.970 20 5 FFBDMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377934 513568896 /nfs/dbraw/zinc/56/88/96/513568896.db2.gz BHOKRPJHBDQHGT-QGZVFWFLSA-N 2 1 371.437 2.963 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377934 513568902 /nfs/dbraw/zinc/56/89/02/513568902.db2.gz BHOKRPJHBDQHGT-QGZVFWFLSA-N 2 1 371.437 2.963 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879028 513803152 /nfs/dbraw/zinc/80/31/52/513803152.db2.gz UZHUGDDHCSXRQI-HKUYNNGSSA-N 2 1 374.529 2.922 20 5 FFBDMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569755 515724000 /nfs/dbraw/zinc/72/40/00/515724000.db2.gz QFLZIPXNGUPZHW-SJLPKXTDSA-N 2 1 362.474 2.613 20 5 FFBDMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569755 515724006 /nfs/dbraw/zinc/72/40/06/515724006.db2.gz QFLZIPXNGUPZHW-SJLPKXTDSA-N 2 1 362.474 2.613 20 5 FFBDMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874735 517882956 /nfs/dbraw/zinc/88/29/56/517882956.db2.gz CNFVDSZWJQOFIN-CYZMBNFOSA-N 2 1 371.384 2.764 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874735 517882967 /nfs/dbraw/zinc/88/29/67/517882967.db2.gz CNFVDSZWJQOFIN-CYZMBNFOSA-N 2 1 371.384 2.764 20 5 FFBDMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518387 520012643 /nfs/dbraw/zinc/01/26/43/520012643.db2.gz HDGRNVIBPJZPFA-QGZVFWFLSA-N 2 1 356.426 2.707 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492968 520416444 /nfs/dbraw/zinc/41/64/44/520416444.db2.gz JVAUFIOWCXKHLM-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602809363 521545761 /nfs/dbraw/zinc/54/57/61/521545761.db2.gz BXADCXHULZBGMD-CRAIPNDOSA-N 2 1 357.458 2.600 20 5 FFBDMP COc1c(O)ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892583312 734576647 /nfs/dbraw/zinc/57/66/47/734576647.db2.gz CCNQZIVLALKBOB-AWEZNQCLSA-N 2 1 351.447 2.911 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000765845235 986709869 /nfs/dbraw/zinc/70/98/69/986709869.db2.gz OJHZDYYZDVNYIJ-OAQYLSRUSA-N 2 1 369.465 2.925 20 5 FFBDMP Cc1cc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000855347238 1007296046 /nfs/dbraw/zinc/29/60/46/1007296046.db2.gz ZIGZESCRNOBNCU-ZDUSSCGKSA-N 2 1 370.881 2.558 20 5 FFBDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963459 1020332785 /nfs/dbraw/zinc/33/27/85/1020332785.db2.gz LRKRULMXVJTOFP-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000749647563 1021017096 /nfs/dbraw/zinc/01/70/96/1021017096.db2.gz NWGNFVWEEYHAGB-HXUWFJFHSA-N 2 1 355.438 2.882 20 5 FFBDMP C[N@@H+]1CCc2c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966714 1028738166 /nfs/dbraw/zinc/73/81/66/1028738166.db2.gz IHCYFZQXQWXJEQ-OAHLLOKOSA-N 2 1 374.485 2.543 20 5 FFBDMP C[N@H+]1CCc2c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966714 1028738182 /nfs/dbraw/zinc/73/81/82/1028738182.db2.gz IHCYFZQXQWXJEQ-OAHLLOKOSA-N 2 1 374.485 2.543 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160896 1039262639 /nfs/dbraw/zinc/26/26/39/1039262639.db2.gz PXADDQOZKFYWBY-DFQSSKMNSA-N 2 1 359.470 2.733 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014135 1039581210 /nfs/dbraw/zinc/58/12/10/1039581210.db2.gz JDSWKEOCZCLOTO-QAPCUYQASA-N 2 1 374.485 2.646 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759986 1055772112 /nfs/dbraw/zinc/77/21/12/1055772112.db2.gz IDWDROPODDXYGD-ARFHVFGLSA-N 2 1 357.458 2.873 20 5 FFBDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848482204 1060117074 /nfs/dbraw/zinc/11/70/74/1060117074.db2.gz KBBQSRDLRVQGPB-CQSZACIVSA-N 2 1 352.398 2.639 20 5 FFBDMP Cn1ccnc1[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848482204 1060117084 /nfs/dbraw/zinc/11/70/84/1060117084.db2.gz KBBQSRDLRVQGPB-CQSZACIVSA-N 2 1 352.398 2.639 20 5 FFBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001473759281 1065348329 /nfs/dbraw/zinc/34/83/29/1065348329.db2.gz BYYKZBBRJWIYTB-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248198583 509258982 /nfs/dbraw/zinc/25/89/82/509258982.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000248198583 509258986 /nfs/dbraw/zinc/25/89/86/509258986.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000248198583 509258996 /nfs/dbraw/zinc/25/89/96/509258996.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248198583 509259001 /nfs/dbraw/zinc/25/90/01/509259001.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248198583 509259009 /nfs/dbraw/zinc/25/90/09/509259009.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 1 369.469 2.778 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710724 510629318 /nfs/dbraw/zinc/62/93/18/510629318.db2.gz FFFILKRZSWGHFJ-RLFYNMQTSA-N 2 1 360.458 2.646 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700220 510728251 /nfs/dbraw/zinc/72/82/51/510728251.db2.gz FTMFLGNTNUMBDF-ZIAGYGMSSA-N 2 1 359.430 2.743 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293054527 511822316 /nfs/dbraw/zinc/82/23/16/511822316.db2.gz UEVKTORKJLCGAL-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293054527 511822323 /nfs/dbraw/zinc/82/23/23/511822323.db2.gz UEVKTORKJLCGAL-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274839745 511960048 /nfs/dbraw/zinc/96/00/48/511960048.db2.gz LTVBUGPOCDQLMQ-APWZRJJASA-N 2 1 365.474 2.700 20 5 FFBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385714 513572606 /nfs/dbraw/zinc/57/26/06/513572606.db2.gz SVOSMIFXQFURAJ-QGTPRVQTSA-N 2 1 355.442 2.555 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234640 513595698 /nfs/dbraw/zinc/59/56/98/513595698.db2.gz BEZOLUUUGOOFKD-QGZVFWFLSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234640 513595706 /nfs/dbraw/zinc/59/57/06/513595706.db2.gz BEZOLUUUGOOFKD-QGZVFWFLSA-N 2 1 351.447 2.536 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000449232998 514124639 /nfs/dbraw/zinc/12/46/39/514124639.db2.gz JXTUZQNEBJLXNN-UZLBHIALSA-N 2 1 369.465 2.882 20 5 FFBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300245 514282891 /nfs/dbraw/zinc/28/28/91/514282891.db2.gz ACJRQTGEETXVIU-QFBILLFUSA-N 2 1 374.485 2.539 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490012925 515067603 /nfs/dbraw/zinc/06/76/03/515067603.db2.gz KFNRASDACANNFT-INIZCTEOSA-N 2 1 351.447 2.536 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734831 515778103 /nfs/dbraw/zinc/77/81/03/515778103.db2.gz OPIITLSDFBKUCH-CRAIPNDOSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734831 515778110 /nfs/dbraw/zinc/77/81/10/515778110.db2.gz OPIITLSDFBKUCH-CRAIPNDOSA-N 2 1 357.458 2.739 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001145 517942956 /nfs/dbraw/zinc/94/29/56/517942956.db2.gz FWIMNNXQEPXXLY-CHWSQXEVSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001145 517942960 /nfs/dbraw/zinc/94/29/60/517942960.db2.gz FWIMNNXQEPXXLY-CHWSQXEVSA-N 2 1 366.849 2.508 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000566797032 518210500 /nfs/dbraw/zinc/21/05/00/518210500.db2.gz RHVMHDSXTJXLIU-ZBFHGGJFSA-N 2 1 371.384 2.524 20 5 FFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195500 518947852 /nfs/dbraw/zinc/94/78/52/518947852.db2.gz APUHAJUTOSPKKB-WPGJWXSHSA-N 2 1 358.486 2.708 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000589505979 519020148 /nfs/dbraw/zinc/02/01/48/519020148.db2.gz SVUPVLKBWIWCPX-MAUKXSAKSA-N 2 1 373.453 2.830 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595066139 520276440 /nfs/dbraw/zinc/27/64/40/520276440.db2.gz CQKWALIWZIVBQI-FXAWDEMLSA-N 2 1 367.449 2.939 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505870 520516824 /nfs/dbraw/zinc/51/68/24/520516824.db2.gz ZQWBRMRLMOWWPA-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505870 520516833 /nfs/dbraw/zinc/51/68/33/520516833.db2.gz ZQWBRMRLMOWWPA-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505870 520516839 /nfs/dbraw/zinc/51/68/39/520516839.db2.gz ZQWBRMRLMOWWPA-IBGZPJMESA-N 2 1 360.458 2.650 20 5 FFBDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])n1 ZINC000602669486 521470111 /nfs/dbraw/zinc/47/01/11/521470111.db2.gz JCEODHWEYXPAAX-UHFFFAOYSA-N 2 1 369.469 2.816 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000602798968 521540139 /nfs/dbraw/zinc/54/01/39/521540139.db2.gz PABZQZLOBVPSCC-UHFFFAOYSA-N 2 1 372.473 2.733 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846561 521567753 /nfs/dbraw/zinc/56/77/53/521567753.db2.gz RMLBVFUADSLNLU-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000863574895 730791726 /nfs/dbraw/zinc/79/17/26/730791726.db2.gz KOYSIGQZYJUMPS-MRXNPFEDSA-N 2 1 353.850 2.839 20 5 FFBDMP C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168438 1014496374 /nfs/dbraw/zinc/49/63/74/1014496374.db2.gz UJBNMZSALXHTEE-FLODPWGTSA-N 2 1 369.469 2.995 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526653 1014613854 /nfs/dbraw/zinc/61/38/54/1014613854.db2.gz UOLHPLHYOZJNSK-SFHVURJKSA-N 2 1 360.502 2.812 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505888 991198404 /nfs/dbraw/zinc/19/84/04/991198404.db2.gz DAUZUKHPSUUOHS-INIZCTEOSA-N 2 1 374.485 2.943 20 5 FFBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987859 1000015844 /nfs/dbraw/zinc/01/58/44/1000015844.db2.gz KXMWPFYMDGZPIS-IEBWSBKVSA-N 2 1 361.486 2.737 20 5 FFBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021549 1000017570 /nfs/dbraw/zinc/01/75/70/1000017570.db2.gz LJWAMRQGRKRDRJ-PKOBYXMFSA-N 2 1 358.486 2.815 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000749675148 1021018872 /nfs/dbraw/zinc/01/88/72/1021018872.db2.gz XMMIQRTVESFAEI-OAQYLSRUSA-N 2 1 369.465 2.925 20 5 FFBDMP Cc1c[nH+]ccc1N1CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001158107833 1029735763 /nfs/dbraw/zinc/73/57/63/1029735763.db2.gz JLXAJWPRVRLNKV-FNORWQNLSA-N 2 1 368.441 2.552 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014130 1039581887 /nfs/dbraw/zinc/58/18/87/1039581887.db2.gz JDSWKEOCZCLOTO-CRAIPNDOSA-N 2 1 374.485 2.646 20 5 FFBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC001262379325 1041666523 /nfs/dbraw/zinc/66/65/23/1041666523.db2.gz XKKICSZPKPPPRS-SQWLQELKSA-N 2 1 361.442 2.528 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272534813 252061813 /nfs/dbraw/zinc/06/18/13/252061813.db2.gz NSJVZJFWCRNFPA-KRWDZBQOSA-N 2 1 357.458 2.739 20 5 FFBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000183685758 509927611 /nfs/dbraw/zinc/92/76/11/509927611.db2.gz SBLCIHAHPIOTJU-AWEZNQCLSA-N 2 1 367.409 2.601 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246985627 510782166 /nfs/dbraw/zinc/78/21/66/510782166.db2.gz WCDXYMFMJJEDRK-RVKKMQEKSA-N 2 1 372.469 2.871 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284217789 511645971 /nfs/dbraw/zinc/64/59/71/511645971.db2.gz TUDLWNLDNCTKQN-MPGHIAIKSA-N 2 1 364.490 2.965 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284217789 511645976 /nfs/dbraw/zinc/64/59/76/511645976.db2.gz TUDLWNLDNCTKQN-MPGHIAIKSA-N 2 1 364.490 2.965 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CC1 ZINC000370012364 512727428 /nfs/dbraw/zinc/72/74/28/512727428.db2.gz WNRSPLSWACPZOP-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023563 513490854 /nfs/dbraw/zinc/49/08/54/513490854.db2.gz LNMWUYHFQUVPHD-OAHLLOKOSA-N 2 1 362.430 2.669 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023563 513490858 /nfs/dbraw/zinc/49/08/58/513490858.db2.gz LNMWUYHFQUVPHD-OAHLLOKOSA-N 2 1 362.430 2.669 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337905 514099754 /nfs/dbraw/zinc/09/97/54/514099754.db2.gz KGIVPCZRRJQGCY-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402922 514133249 /nfs/dbraw/zinc/13/32/49/514133249.db2.gz RAYBUSUTKZVNPG-QAPCUYQASA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402920 514133731 /nfs/dbraw/zinc/13/37/31/514133731.db2.gz RAYBUSUTKZVNPG-CRAIPNDOSA-N 2 1 360.458 2.696 20 5 FFBDMP Cn1ccnc1[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721780 515769144 /nfs/dbraw/zinc/76/91/44/515769144.db2.gz AWKLXBXGFCNSJU-QAPCUYQASA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721780 515769150 /nfs/dbraw/zinc/76/91/50/515769150.db2.gz AWKLXBXGFCNSJU-QAPCUYQASA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721780 515769161 /nfs/dbraw/zinc/76/91/61/515769161.db2.gz AWKLXBXGFCNSJU-QAPCUYQASA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552054685 517053299 /nfs/dbraw/zinc/05/32/99/517053299.db2.gz JMFMMASKKLXOSJ-LJQANCHMSA-N 2 1 369.469 2.882 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001147 517942644 /nfs/dbraw/zinc/94/26/44/517942644.db2.gz FWIMNNXQEPXXLY-OLZOCXBDSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001147 517942652 /nfs/dbraw/zinc/94/26/52/517942652.db2.gz FWIMNNXQEPXXLY-OLZOCXBDSA-N 2 1 366.849 2.508 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866810 518020802 /nfs/dbraw/zinc/02/08/02/518020802.db2.gz HCPUMRQSPPDSBY-MRXNPFEDSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866810 518020809 /nfs/dbraw/zinc/02/08/09/518020809.db2.gz HCPUMRQSPPDSBY-MRXNPFEDSA-N 2 1 351.447 2.536 20 5 FFBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002897 518541837 /nfs/dbraw/zinc/54/18/37/518541837.db2.gz KPNDBACQNHVPJB-KGLIPLIRSA-N 2 1 357.410 2.905 20 5 FFBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002897 518541845 /nfs/dbraw/zinc/54/18/45/518541845.db2.gz KPNDBACQNHVPJB-KGLIPLIRSA-N 2 1 357.410 2.905 20 5 FFBDMP CC[N@H+]1CCC[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527218 519294680 /nfs/dbraw/zinc/29/46/80/519294680.db2.gz RTIKRQIXQBCSFK-KWEPMOPPSA-N 2 1 360.502 2.956 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478716 520406988 /nfs/dbraw/zinc/40/69/88/520406988.db2.gz ITGSKIVCVWQHOH-CRAIPNDOSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900575 520806003 /nfs/dbraw/zinc/80/60/03/520806003.db2.gz HFBSKQZGOTXUTA-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000602772433 521526008 /nfs/dbraw/zinc/52/60/08/521526008.db2.gz JFVNBTOYEPUJLT-UHFFFAOYSA-N 2 1 371.485 2.944 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000866347741 731051315 /nfs/dbraw/zinc/05/13/15/731051315.db2.gz JJGPLIOGPRYKTC-CABCVRRESA-N 2 1 353.438 2.755 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000866347741 731051317 /nfs/dbraw/zinc/05/13/17/731051317.db2.gz JJGPLIOGPRYKTC-CABCVRRESA-N 2 1 353.438 2.755 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000866347747 731051321 /nfs/dbraw/zinc/05/13/21/731051321.db2.gz JJGPLIOGPRYKTC-LSDHHAIUSA-N 2 1 353.438 2.755 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000866347747 731051323 /nfs/dbraw/zinc/05/13/23/731051323.db2.gz JJGPLIOGPRYKTC-LSDHHAIUSA-N 2 1 353.438 2.755 20 5 FFBDMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000878865932 732606144 /nfs/dbraw/zinc/60/61/44/732606144.db2.gz FQJJPXOGVBJRQY-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000878865932 732606146 /nfs/dbraw/zinc/60/61/46/732606146.db2.gz FQJJPXOGVBJRQY-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000768100856 737397887 /nfs/dbraw/zinc/39/78/87/737397887.db2.gz DFSOZXIAKWMJTG-PMPSAXMXSA-N 2 1 365.499 2.918 20 5 FFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000768100856 737397890 /nfs/dbraw/zinc/39/78/90/737397890.db2.gz DFSOZXIAKWMJTG-PMPSAXMXSA-N 2 1 365.499 2.918 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501767 738292809 /nfs/dbraw/zinc/29/28/09/738292809.db2.gz VHNXNQQJDDPSSP-GHMZBOCLSA-N 2 1 359.373 2.622 20 5 FFBDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103851 747270188 /nfs/dbraw/zinc/27/01/88/747270188.db2.gz KXLXPKNBUSFDJK-YOEHRIQHSA-N 2 1 353.850 2.967 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165321879 1029943523 /nfs/dbraw/zinc/94/35/23/1029943523.db2.gz ALPUDUIAFLCWJO-UEICXMAYSA-N 2 1 359.474 2.881 20 5 FFBDMP COc1cc(N2CCC([N@@H+](CCC[NH3+])C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256085399 1038371032 /nfs/dbraw/zinc/37/10/32/1038371032.db2.gz NMWJBBWLTJKUIR-UHFFFAOYSA-N 2 1 350.463 2.631 20 5 FFBDMP CCN1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001462222966 1061542879 /nfs/dbraw/zinc/54/28/79/1061542879.db2.gz DIRYALPYFKGWKR-GOSISDBHSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@@H+]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001462222966 1061542888 /nfs/dbraw/zinc/54/28/88/1061542888.db2.gz DIRYALPYFKGWKR-GOSISDBHSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@H+]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001462222966 1061542896 /nfs/dbraw/zinc/54/28/96/1061542896.db2.gz DIRYALPYFKGWKR-GOSISDBHSA-N 2 1 374.529 2.875 20 5 FFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617388 512356074 /nfs/dbraw/zinc/35/60/74/512356074.db2.gz APUHAJUTOSPKKB-WSSFADSRSA-N 2 1 358.486 2.708 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123295687 508664899 /nfs/dbraw/zinc/66/48/99/508664899.db2.gz LFUIZXAZMRUGOK-UHFFFAOYSA-N 2 1 362.474 2.896 20 5 FFBDMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769598 509732251 /nfs/dbraw/zinc/73/22/51/509732251.db2.gz NTUHYOSHKHKRAK-CQSZACIVSA-N 2 1 355.442 2.569 20 5 FFBDMP CC[N@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000174773117 510304134 /nfs/dbraw/zinc/30/41/34/510304134.db2.gz RRAUKAZGKSQIFP-CJNGLKHVSA-N 2 1 359.430 2.807 20 5 FFBDMP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246656342 510605148 /nfs/dbraw/zinc/60/51/48/510605148.db2.gz CUWYJEIZQZVJPM-CZUORRHYSA-N 2 1 368.397 2.924 20 5 FFBDMP O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000178473440 510621861 /nfs/dbraw/zinc/62/18/61/510621861.db2.gz JVAHENBBBDKQDN-UHFFFAOYSA-N 2 1 369.347 2.632 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246944459 510760928 /nfs/dbraw/zinc/76/09/28/510760928.db2.gz CBMLPFOHMIGJCE-CPUCHLNUSA-N 2 1 357.414 2.701 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(C)C ZINC000282439563 510978828 /nfs/dbraw/zinc/97/88/28/510978828.db2.gz ULVNIXDHFFIBFC-SFHVURJKSA-N 2 1 360.502 2.532 20 5 FFBDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369703329 512563455 /nfs/dbraw/zinc/56/34/55/512563455.db2.gz MEZFJHAFKVHQAK-UHFFFAOYSA-N 2 1 363.458 2.920 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423036625 514013194 /nfs/dbraw/zinc/01/31/94/514013194.db2.gz ATXACKXNUIHPIN-ARFHVFGLSA-N 2 1 353.850 2.537 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919893 514845070 /nfs/dbraw/zinc/84/50/70/514845070.db2.gz MFPHFDPDUJCQFH-LSDHHAIUSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919893 514845057 /nfs/dbraw/zinc/84/50/57/514845057.db2.gz MFPHFDPDUJCQFH-LSDHHAIUSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919893 514845077 /nfs/dbraw/zinc/84/50/77/514845077.db2.gz MFPHFDPDUJCQFH-LSDHHAIUSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919893 514845092 /nfs/dbraw/zinc/84/50/92/514845092.db2.gz MFPHFDPDUJCQFH-LSDHHAIUSA-N 2 1 351.447 2.787 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000468630009 515445351 /nfs/dbraw/zinc/44/53/51/515445351.db2.gz KHIIECLPBURTCQ-GHRIWEEISA-N 2 1 360.502 2.861 20 5 FFBDMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482874599 515832466 /nfs/dbraw/zinc/83/24/66/515832466.db2.gz ORSFXRXNEOEISX-GOSISDBHSA-N 2 1 362.474 2.578 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001150 517941749 /nfs/dbraw/zinc/94/17/49/517941749.db2.gz FWIMNNXQEPXXLY-STQMWFEESA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001150 517941757 /nfs/dbraw/zinc/94/17/57/517941757.db2.gz FWIMNNXQEPXXLY-STQMWFEESA-N 2 1 366.849 2.508 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000594503815 520006707 /nfs/dbraw/zinc/00/67/07/520006707.db2.gz BRODSGLIPRUWSX-PXNSSMCTSA-N 2 1 367.449 2.939 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433818 520390265 /nfs/dbraw/zinc/39/02/65/520390265.db2.gz YBIYTEATLBCQHN-GJZGRUSLSA-N 2 1 363.458 2.824 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492563 520416194 /nfs/dbraw/zinc/41/61/94/520416194.db2.gz AOLFLJXJFGSSBK-CVEARBPZSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000601136836 520654269 /nfs/dbraw/zinc/65/42/69/520654269.db2.gz YRCDLALLEADRDE-KXBFYZLASA-N 2 1 369.469 2.605 20 5 FFBDMP CCOc1cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297289 521085958 /nfs/dbraw/zinc/08/59/58/521085958.db2.gz COTMBPVAEHNJOH-QGZVFWFLSA-N 2 1 362.474 2.598 20 5 FFBDMP CCOc1cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297289 521085962 /nfs/dbraw/zinc/08/59/62/521085962.db2.gz COTMBPVAEHNJOH-QGZVFWFLSA-N 2 1 362.474 2.598 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596837204 521322593 /nfs/dbraw/zinc/32/25/93/521322593.db2.gz AKYXCHYVNHZXCY-HNNXBMFYSA-N 2 1 365.478 2.605 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596837204 521322598 /nfs/dbraw/zinc/32/25/98/521322598.db2.gz AKYXCHYVNHZXCY-HNNXBMFYSA-N 2 1 365.478 2.605 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000602716929 521493821 /nfs/dbraw/zinc/49/38/21/521493821.db2.gz VHZGBUOZWGPPGI-QGZVFWFLSA-N 2 1 373.501 2.670 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000863652499 730799156 /nfs/dbraw/zinc/79/91/56/730799156.db2.gz ZQHCDGHRCHDNSJ-OAHLLOKOSA-N 2 1 353.850 2.839 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339925 742265118 /nfs/dbraw/zinc/26/51/18/742265118.db2.gz GFBBXEAJEPIENJ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CC[NH3+] ZINC000846225412 748434224 /nfs/dbraw/zinc/43/42/24/748434224.db2.gz ASPDCUZDUIFHTI-WBMJQRKESA-N 2 1 352.410 2.512 20 5 FFBDMP C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000877079673 1014471087 /nfs/dbraw/zinc/47/10/87/1014471087.db2.gz ITHJLSISUDDYOG-FAEJEUNOSA-N 2 1 357.458 2.995 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411381 980270258 /nfs/dbraw/zinc/27/02/58/980270258.db2.gz UXAMTQGVUXTRKZ-VXGBXAGGSA-N 2 1 373.400 2.664 20 5 FFBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258791 1015791773 /nfs/dbraw/zinc/79/17/73/1015791773.db2.gz CJZBVHCDOICJKG-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000819015666 1008023392 /nfs/dbraw/zinc/02/33/92/1008023392.db2.gz MZCXRZIISUKCMA-NQIIRXRSSA-N 2 1 369.465 2.782 20 5 FFBDMP CN(C)[C@@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869313 1009484956 /nfs/dbraw/zinc/48/49/56/1009484956.db2.gz RGLKPWLFJITEHE-OAQYLSRUSA-N 2 1 374.529 2.875 20 5 FFBDMP C[NH+](C)[C@@H]1CCCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869313 1009484960 /nfs/dbraw/zinc/48/49/60/1009484960.db2.gz RGLKPWLFJITEHE-OAQYLSRUSA-N 2 1 374.529 2.875 20 5 FFBDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173011154 1012181440 /nfs/dbraw/zinc/18/14/40/1012181440.db2.gz RNNFSJQURIHOGC-CYBMUJFWSA-N 2 1 368.428 2.773 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1F ZINC001173179737 1012320836 /nfs/dbraw/zinc/32/08/36/1012320836.db2.gz PKGOYWGQDOFAQC-UONOGXRCSA-N 2 1 353.438 2.995 20 5 FFBDMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001155382363 1028708836 /nfs/dbraw/zinc/70/88/36/1028708836.db2.gz LZBNQOQFVCBQSF-QGZVFWFLSA-N 2 1 367.453 2.516 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160913 1039262137 /nfs/dbraw/zinc/26/21/37/1039262137.db2.gz PXADDQOZKFYWBY-YZGWKJHDSA-N 2 1 359.470 2.733 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290486794 257334727 /nfs/dbraw/zinc/33/47/27/257334727.db2.gz OIVXLQYONLKKFZ-HNNXBMFYSA-N 2 1 363.458 2.776 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072718493 507846692 /nfs/dbraw/zinc/84/66/92/507846692.db2.gz NZYHBHOXTFNXSC-MRXNPFEDSA-N 2 1 360.458 2.731 20 5 FFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568917 508191155 /nfs/dbraw/zinc/19/11/55/508191155.db2.gz XBIDZCGFFFSKCX-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568917 508191158 /nfs/dbraw/zinc/19/11/58/508191158.db2.gz XBIDZCGFFFSKCX-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568917 508191160 /nfs/dbraw/zinc/19/11/60/508191160.db2.gz XBIDZCGFFFSKCX-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057707 510163070 /nfs/dbraw/zinc/16/30/70/510163070.db2.gz QTGXAEBDKMIXDQ-INIZCTEOSA-N 2 1 362.474 2.538 20 5 FFBDMP CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057707 510163078 /nfs/dbraw/zinc/16/30/78/510163078.db2.gz QTGXAEBDKMIXDQ-INIZCTEOSA-N 2 1 362.474 2.538 20 5 FFBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174843170 510339509 /nfs/dbraw/zinc/33/95/09/510339509.db2.gz PMWOSDZSIDHMMP-UHFFFAOYSA-N 2 1 357.458 2.635 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073948 512650549 /nfs/dbraw/zinc/65/05/49/512650549.db2.gz GKWSQBZRRHFKFB-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073948 512650553 /nfs/dbraw/zinc/65/05/53/512650553.db2.gz GKWSQBZRRHFKFB-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376550495 512868203 /nfs/dbraw/zinc/86/82/03/512868203.db2.gz FJBILPKBLOYAAH-OAHLLOKOSA-N 2 1 374.372 2.611 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370652900 513034759 /nfs/dbraw/zinc/03/47/59/513034759.db2.gz WABXEBAZUWGXGK-UHFFFAOYSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Cl)c1 ZINC000415052887 514416924 /nfs/dbraw/zinc/41/69/24/514416924.db2.gz LWKTVPHHNSQTPP-UHFFFAOYSA-N 2 1 352.866 2.554 20 5 FFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919892 514844984 /nfs/dbraw/zinc/84/49/84/514844984.db2.gz MFPHFDPDUJCQFH-HUUCEWRRSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919892 514844995 /nfs/dbraw/zinc/84/49/95/514844995.db2.gz MFPHFDPDUJCQFH-HUUCEWRRSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919892 514845006 /nfs/dbraw/zinc/84/50/06/514845006.db2.gz MFPHFDPDUJCQFH-HUUCEWRRSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919892 514845012 /nfs/dbraw/zinc/84/50/12/514845012.db2.gz MFPHFDPDUJCQFH-HUUCEWRRSA-N 2 1 351.447 2.787 20 5 FFBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169869 516158203 /nfs/dbraw/zinc/15/82/03/516158203.db2.gz LFPLDUYDOIDYMO-MBGNVJMVSA-N 2 1 358.486 2.710 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000488363493 516206676 /nfs/dbraw/zinc/20/66/76/516206676.db2.gz ULWHSBXSCWSMDW-UHFFFAOYSA-N 2 1 362.474 2.896 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540900 517025854 /nfs/dbraw/zinc/02/58/54/517025854.db2.gz QNAQJGOIOBHCHD-IBGZPJMESA-N 2 1 374.485 2.752 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540900 517025861 /nfs/dbraw/zinc/02/58/61/517025861.db2.gz QNAQJGOIOBHCHD-IBGZPJMESA-N 2 1 374.485 2.752 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229733 519382180 /nfs/dbraw/zinc/38/21/80/519382180.db2.gz MLIHAHPWISUXSB-IRXDYDNUSA-N 2 1 369.469 2.817 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492566 520416565 /nfs/dbraw/zinc/41/65/65/520416565.db2.gz AOLFLJXJFGSSBK-JKSUJKDBSA-N 2 1 371.441 2.856 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316805 520905309 /nfs/dbraw/zinc/90/53/09/520905309.db2.gz XSTOSIDBOQRWFF-ZSZQSSIHSA-N 2 1 363.458 2.712 20 5 FFBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596097512 520909570 /nfs/dbraw/zinc/90/95/70/520909570.db2.gz YKBCKTIXDPLJFW-RCCFBDPRSA-N 2 1 361.490 2.987 20 5 FFBDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618618938 521146311 /nfs/dbraw/zinc/14/63/11/521146311.db2.gz ASIPAZCHJMGGJF-UHFFFAOYSA-N 2 1 369.425 2.701 20 5 FFBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886097723 733748451 /nfs/dbraw/zinc/74/84/51/733748451.db2.gz CUYICCWCETWWCA-UHFFFAOYSA-N 2 1 350.463 2.560 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394544 738136996 /nfs/dbraw/zinc/13/69/96/738136996.db2.gz XBJASLBKKKGERX-TXCZRRACSA-N 2 1 353.488 2.616 20 5 FFBDMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843352521 747815487 /nfs/dbraw/zinc/81/54/87/747815487.db2.gz LYVOZIMZLWGYHF-UHFFFAOYSA-N 2 1 354.838 2.508 20 5 FFBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000876988550 1014441766 /nfs/dbraw/zinc/44/17/66/1014441766.db2.gz GFEZVDCPZVIGJX-VIQWUECVSA-N 2 1 369.469 2.997 20 5 FFBDMP C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168440 1014497262 /nfs/dbraw/zinc/49/72/62/1014497262.db2.gz UJBNMZSALXHTEE-XMZVIZOASA-N 2 1 369.469 2.995 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746860 1014706856 /nfs/dbraw/zinc/70/68/56/1014706856.db2.gz ZTBPLJVNWHEHRN-SAPNQHFASA-N 2 1 358.486 2.710 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249262 1015438713 /nfs/dbraw/zinc/43/87/13/1015438713.db2.gz KFSZMJPMCBJBJB-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866266892 1010966663 /nfs/dbraw/zinc/96/66/63/1010966663.db2.gz UBMZXWNHDVMVLB-KSSFIOAISA-N 2 1 365.449 2.898 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920327 1012636888 /nfs/dbraw/zinc/63/68/88/1012636888.db2.gz CTFQDUONBQXZMU-BAAGSCJXSA-N 2 1 374.485 2.633 20 5 FFBDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870920327 1012636898 /nfs/dbraw/zinc/63/68/98/1012636898.db2.gz CTFQDUONBQXZMU-BAAGSCJXSA-N 2 1 374.485 2.633 20 5 FFBDMP [NH3+]C[C@@]1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C[NH+]2CCC1CC2 ZINC001160521108 1027737130 /nfs/dbraw/zinc/73/71/30/1027737130.db2.gz WDRGBELYVJBKHR-QGZVFWFLSA-N 2 1 361.833 2.631 20 5 FFBDMP [NH3+]CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCCC1 ZINC000843384991 1031366327 /nfs/dbraw/zinc/36/63/27/1031366327.db2.gz NBKSVAINCINSQH-UHFFFAOYSA-N 2 1 366.437 2.904 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001560966946 1076314788 /nfs/dbraw/zinc/31/47/88/1076314788.db2.gz QRSRQYBFUSTTLW-BGYRXZFFSA-N 2 1 359.470 2.713 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159114047 508794350 /nfs/dbraw/zinc/79/43/50/508794350.db2.gz OWZLPPXFLVIDPU-ICSRJNTNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159114047 508794354 /nfs/dbraw/zinc/79/43/54/508794354.db2.gz OWZLPPXFLVIDPU-ICSRJNTNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159114047 508794357 /nfs/dbraw/zinc/79/43/57/508794357.db2.gz OWZLPPXFLVIDPU-ICSRJNTNSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159114047 508794359 /nfs/dbraw/zinc/79/43/59/508794359.db2.gz OWZLPPXFLVIDPU-ICSRJNTNSA-N 2 1 369.469 2.778 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710713 510628265 /nfs/dbraw/zinc/62/82/65/510628265.db2.gz FFFILKRZSWGHFJ-DAYGRLMNSA-N 2 1 360.458 2.646 20 5 FFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700195 510728792 /nfs/dbraw/zinc/72/87/92/510728792.db2.gz FTMFLGNTNUMBDF-KGLIPLIRSA-N 2 1 359.430 2.743 20 5 FFBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292212273 511508436 /nfs/dbraw/zinc/50/84/36/511508436.db2.gz UESHDRGNVAKQTG-SCLBCKFNSA-N 2 1 357.414 2.733 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000378431351 512755596 /nfs/dbraw/zinc/75/55/96/512755596.db2.gz PFWLXTDXQARXGY-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000378431351 512755601 /nfs/dbraw/zinc/75/56/01/512755601.db2.gz PFWLXTDXQARXGY-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381141 513570911 /nfs/dbraw/zinc/57/09/11/513570911.db2.gz RPEIVROYSVAYOC-KRWDZBQOSA-N 2 1 371.437 2.963 20 5 FFBDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381141 513570919 /nfs/dbraw/zinc/57/09/19/513570919.db2.gz RPEIVROYSVAYOC-KRWDZBQOSA-N 2 1 371.437 2.963 20 5 FFBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318869 514090138 /nfs/dbraw/zinc/09/01/38/514090138.db2.gz PBWIEGDTDVVVDD-PMACEKPBSA-N 2 1 357.454 2.736 20 5 FFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318869 514090143 /nfs/dbraw/zinc/09/01/43/514090143.db2.gz PBWIEGDTDVVVDD-PMACEKPBSA-N 2 1 357.454 2.736 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420330779 514096930 /nfs/dbraw/zinc/09/69/30/514096930.db2.gz BSPTUMKADGUNOO-MRXNPFEDSA-N 2 1 357.414 2.609 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387047 514121980 /nfs/dbraw/zinc/12/19/80/514121980.db2.gz GGCRIUDADJZYCU-YJBOKZPZSA-N 2 1 360.458 2.696 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424388022 514469621 /nfs/dbraw/zinc/46/96/21/514469621.db2.gz YXVKFBOVGSLFEY-OAHLLOKOSA-N 2 1 369.469 2.959 20 5 FFBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169871 516157842 /nfs/dbraw/zinc/15/78/42/516157842.db2.gz LFPLDUYDOIDYMO-QUHSPFQSSA-N 2 1 358.486 2.710 20 5 FFBDMP CC[N@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527220 519293878 /nfs/dbraw/zinc/29/38/78/519293878.db2.gz RTIKRQIXQBCSFK-VQFGERMISA-N 2 1 360.502 2.956 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878106 519943297 /nfs/dbraw/zinc/94/32/97/519943297.db2.gz VFVGGUTZILGFOY-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000602877013 519943862 /nfs/dbraw/zinc/94/38/62/519943862.db2.gz JZZGXNXRTGPLMP-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000602877013 519943872 /nfs/dbraw/zinc/94/38/72/519943872.db2.gz JZZGXNXRTGPLMP-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000595012090 520254679 /nfs/dbraw/zinc/25/46/79/520254679.db2.gz NLMVSXAVYVTPAL-HNNXBMFYSA-N 2 1 364.490 2.528 20 5 FFBDMP Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943361 520343165 /nfs/dbraw/zinc/34/31/65/520343165.db2.gz ZFOWOWKFCRMAFC-ZDUSSCGKSA-N 2 1 370.881 2.558 20 5 FFBDMP Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943361 520343175 /nfs/dbraw/zinc/34/31/75/520343175.db2.gz ZFOWOWKFCRMAFC-ZDUSSCGKSA-N 2 1 370.881 2.558 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426369 520385699 /nfs/dbraw/zinc/38/56/99/520385699.db2.gz ZHRASMKHLCLPAC-QFBILLFUSA-N 2 1 369.469 2.959 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426369 520385708 /nfs/dbraw/zinc/38/57/08/520385708.db2.gz ZHRASMKHLCLPAC-QFBILLFUSA-N 2 1 369.469 2.959 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492984 520416531 /nfs/dbraw/zinc/41/65/31/520416531.db2.gz LAFKKPKJURYOSQ-HOTGVXAUSA-N 2 1 371.441 2.856 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901218 520807981 /nfs/dbraw/zinc/80/79/81/520807981.db2.gz SFMQRPPCHFQPOY-MRXNPFEDSA-N 2 1 360.458 2.635 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000843126080 747777434 /nfs/dbraw/zinc/77/74/34/747777434.db2.gz FUILCLPVTBZWJE-UHFFFAOYSA-N 2 1 354.248 2.933 20 5 FFBDMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000877147779 1014489247 /nfs/dbraw/zinc/48/92/47/1014489247.db2.gz MYQBZXRCHQUEBO-IBGZPJMESA-N 2 1 374.485 2.636 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000776277104 1005337360 /nfs/dbraw/zinc/33/73/60/1005337360.db2.gz NRNHFKJVVDFODY-FQEVSTJZSA-N 2 1 355.438 2.666 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000776277104 1005337366 /nfs/dbraw/zinc/33/73/66/1005337366.db2.gz NRNHFKJVVDFODY-FQEVSTJZSA-N 2 1 355.438 2.666 20 5 FFBDMP [NH3+]CCSC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001206631157 1032372378 /nfs/dbraw/zinc/37/23/78/1032372378.db2.gz QEOVFKNPDOUQKG-ZDUSSCGKSA-N 2 1 366.450 2.525 20 5 FFBDMP C[NH+]1CCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173005917 1012174187 /nfs/dbraw/zinc/17/41/87/1012174187.db2.gz LOGHBKXYUXQSML-UHFFFAOYSA-N 2 1 354.401 2.526 20 5 FFBDMP CCC[N@@H+](CCC[NH3+])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011337 1012181823 /nfs/dbraw/zinc/18/18/23/1012181823.db2.gz AYGPZLVDCUXSND-UHFFFAOYSA-N 2 1 356.417 2.903 20 5 FFBDMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098310 1020676740 /nfs/dbraw/zinc/67/67/40/1020676740.db2.gz MXXNFFNYCBVGEA-LSDHHAIUSA-N 2 1 363.458 2.755 20 5 FFBDMP O=C1NCC[C@@]12C[N@@H+](Cc1c3ccccc3cc3ccccc31)CC21C[NH2+]C1 ZINC001222521290 1033026600 /nfs/dbraw/zinc/02/66/00/1033026600.db2.gz PEKWQXHQCGIFDQ-XMMPIXPASA-N 2 1 371.484 2.905 20 5 FFBDMP [NH3+]C[C@]1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160521277 1027739322 /nfs/dbraw/zinc/73/93/22/1027739322.db2.gz XSGCUTAXRHUTAD-KRWDZBQOSA-N 2 1 361.833 2.631 20 5 FFBDMP [NH3+][C@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246538420 1039387570 /nfs/dbraw/zinc/38/75/70/1039387570.db2.gz BWBZMDCHOCKOKY-LBPRGKRZSA-N 2 1 354.401 2.655 20 5 FFBDMP C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001308039588 1052389642 /nfs/dbraw/zinc/38/96/42/1052389642.db2.gz GYAIJBWHDJGRQC-MRXNPFEDSA-N 2 1 356.426 2.969 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253208 1053270285 /nfs/dbraw/zinc/27/02/85/1053270285.db2.gz MAAXDKXLJBISMZ-XHSDSOJGSA-N 2 1 357.458 2.873 20 5 FFBDMP Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302512897 258104735 /nfs/dbraw/zinc/10/47/35/258104735.db2.gz TZMZQNRNCAMXAU-AWEZNQCLSA-N 2 1 358.442 2.733 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436443 509934184 /nfs/dbraw/zinc/93/41/84/509934184.db2.gz QZEDUSYWWSDMSM-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436443 509934189 /nfs/dbraw/zinc/93/41/89/509934189.db2.gz QZEDUSYWWSDMSM-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436443 509934195 /nfs/dbraw/zinc/93/41/95/509934195.db2.gz QZEDUSYWWSDMSM-MAUKXSAKSA-N 2 1 362.474 2.894 20 5 FFBDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447532210 513501055 /nfs/dbraw/zinc/50/10/55/513501055.db2.gz VBBMJKIISUERKU-LJQANCHMSA-N 2 1 374.485 2.505 20 5 FFBDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249341 516589493 /nfs/dbraw/zinc/58/94/93/516589493.db2.gz BRKRNPUGNBSBIH-QGZVFWFLSA-N 2 1 360.483 2.735 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540901 517025944 /nfs/dbraw/zinc/02/59/44/517025944.db2.gz QNAQJGOIOBHCHD-LJQANCHMSA-N 2 1 374.485 2.752 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540901 517025954 /nfs/dbraw/zinc/02/59/54/517025954.db2.gz QNAQJGOIOBHCHD-LJQANCHMSA-N 2 1 374.485 2.752 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000589505983 519020299 /nfs/dbraw/zinc/02/02/99/519020299.db2.gz SVUPVLKBWIWCPX-QAPCUYQASA-N 2 1 373.453 2.830 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479449 520407010 /nfs/dbraw/zinc/40/70/10/520407010.db2.gz ZQFOKSJASCDSOH-NVXWUHKLSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492894 520415913 /nfs/dbraw/zinc/41/59/13/520415913.db2.gz GSGLSVLTSAUBAH-DLBZAZTESA-N 2 1 374.485 2.943 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493966 520417003 /nfs/dbraw/zinc/41/70/03/520417003.db2.gz XYYBOBQYTZPRSZ-YESZJQIVSA-N 2 1 374.485 2.942 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602828606 521557330 /nfs/dbraw/zinc/55/73/30/521557330.db2.gz HXDRXXVRNFRZOX-HXUWFJFHSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602828606 521557334 /nfs/dbraw/zinc/55/73/34/521557334.db2.gz HXDRXXVRNFRZOX-HXUWFJFHSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602828606 521557339 /nfs/dbraw/zinc/55/73/39/521557339.db2.gz HXDRXXVRNFRZOX-HXUWFJFHSA-N 2 1 369.469 2.698 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602828606 521557344 /nfs/dbraw/zinc/55/73/44/521557344.db2.gz HXDRXXVRNFRZOX-HXUWFJFHSA-N 2 1 369.469 2.698 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000863574893 730791771 /nfs/dbraw/zinc/79/17/71/730791771.db2.gz KOYSIGQZYJUMPS-INIZCTEOSA-N 2 1 353.850 2.839 20 5 FFBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000872032839 731722593 /nfs/dbraw/zinc/72/25/93/731722593.db2.gz AZDLHWOFQCPHBF-OAHLLOKOSA-N 2 1 366.531 2.995 20 5 FFBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099377 747268991 /nfs/dbraw/zinc/26/89/91/747268991.db2.gz JHIPKGBXPBIXEM-DOTOQJQBSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903120 748132507 /nfs/dbraw/zinc/13/25/07/748132507.db2.gz SRMUBSFWYXBIAS-JJRVBVJISA-N 2 1 353.850 2.967 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000922390385 988545439 /nfs/dbraw/zinc/54/54/39/988545439.db2.gz ZDTFRCAAAHSGFQ-GSGUODFMSA-N 2 1 359.470 2.677 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507407 1015943642 /nfs/dbraw/zinc/94/36/42/1015943642.db2.gz YKMLJTATZSLLNT-LZQZEXGQSA-N 2 1 358.486 2.865 20 5 FFBDMP C[NH+](C)CCC[N@H+](C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC001186989634 1003498693 /nfs/dbraw/zinc/49/86/93/1003498693.db2.gz KGOXDXZUDLIMBY-UHFFFAOYSA-N 2 1 359.268 2.653 20 5 FFBDMP C[NH+](C)CCC[N@@H+](C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC001186989634 1003498698 /nfs/dbraw/zinc/49/86/98/1003498698.db2.gz KGOXDXZUDLIMBY-UHFFFAOYSA-N 2 1 359.268 2.653 20 5 FFBDMP C[NH+](C)CCC[N@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186990296 1003521171 /nfs/dbraw/zinc/52/11/71/1003521171.db2.gz XDAUWUVNDHMJSO-UHFFFAOYSA-N 2 1 365.865 2.514 20 5 FFBDMP C[NH+](C)CCC[N@@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186990296 1003521177 /nfs/dbraw/zinc/52/11/77/1003521177.db2.gz XDAUWUVNDHMJSO-UHFFFAOYSA-N 2 1 365.865 2.514 20 5 FFBDMP C[C@@H](O)C[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001206489656 1032310194 /nfs/dbraw/zinc/31/01/94/1032310194.db2.gz FEYXJGFKQAVMJB-MRXNPFEDSA-N 2 1 361.486 2.695 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870393 1008907124 /nfs/dbraw/zinc/90/71/24/1008907124.db2.gz XIAZBVKOCGRPJM-LJQANCHMSA-N 2 1 360.458 2.697 20 5 FFBDMP CC1(C)[C@H](O)CC[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001182009015 1010358613 /nfs/dbraw/zinc/35/86/13/1010358613.db2.gz XRIOVZFGOVULAP-LJQANCHMSA-N 2 1 361.486 2.695 20 5 FFBDMP COc1cccc([C@@H](C[NH3+])Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)c1 ZINC001163309620 1028884907 /nfs/dbraw/zinc/88/49/07/1028884907.db2.gz NIRDCOMBSWFDCU-KXPUMZMLSA-N 2 1 357.414 2.643 20 5 FFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509781 1029725809 /nfs/dbraw/zinc/72/58/09/1029725809.db2.gz QVRDQORDRXMNDS-KBPBESRZSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509781 1029725816 /nfs/dbraw/zinc/72/58/16/1029725816.db2.gz QVRDQORDRXMNDS-KBPBESRZSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509781 1029725822 /nfs/dbraw/zinc/72/58/22/1029725822.db2.gz QVRDQORDRXMNDS-KBPBESRZSA-N 2 1 366.437 2.867 20 5 FFBDMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC001256085875 1038371155 /nfs/dbraw/zinc/37/11/55/1038371155.db2.gz SJFNXZMMGCYKMW-UHFFFAOYSA-N 2 1 362.474 2.646 20 5 FFBDMP COc1cc(N2CCC([N@H+]3C[C@H]4CCCN(C)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101344 1038386557 /nfs/dbraw/zinc/38/65/57/1038386557.db2.gz FMPGJPWTXYBQDE-DNVCBOLYSA-N 2 1 374.485 2.598 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001246558630 1039396378 /nfs/dbraw/zinc/39/63/78/1039396378.db2.gz NNNRYOPMYMLWTA-SJCJKPOMSA-N 2 1 357.401 2.826 20 5 FFBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879257 1039515644 /nfs/dbraw/zinc/51/56/44/1039515644.db2.gz NVMNJJJHBNLINN-BSIFCXSSSA-N 2 1 351.450 2.999 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001246940613 1039540573 /nfs/dbraw/zinc/54/05/73/1039540573.db2.gz JGMKRZOSZOGYTL-MELADBBJSA-N 2 1 351.422 2.605 20 5 FFBDMP C[N@@H+](C[C@H](O)C1CC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308745217 1052493511 /nfs/dbraw/zinc/49/35/11/1052493511.db2.gz SGLZRNLSMWIORF-FQEVSTJZSA-N 2 1 361.486 2.552 20 5 FFBDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109358 1056765333 /nfs/dbraw/zinc/76/53/33/1056765333.db2.gz KTHJIXKBLQEYIB-ZDUSSCGKSA-N 2 1 373.379 2.712 20 5 FFBDMP COc1ccc(OCC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001460801028 1061109195 /nfs/dbraw/zinc/10/91/95/1061109195.db2.gz KSIBZAVNNASMNO-HNNXBMFYSA-N 2 1 372.425 2.588 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001460801028 1061109205 /nfs/dbraw/zinc/10/92/05/1061109205.db2.gz KSIBZAVNNASMNO-HNNXBMFYSA-N 2 1 372.425 2.588 20 5 FFBDMP CC[C@H]1CN(C)CC[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462267742 1061562124 /nfs/dbraw/zinc/56/21/24/1061562124.db2.gz DAJPUKALNLNFAD-FQEVSTJZSA-N 2 1 374.529 2.875 20 5 FFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001580875743 1078881637 /nfs/dbraw/zinc/88/16/37/1078881637.db2.gz PPIGJLHMCYKPKU-UHFFFAOYSA-N 2 1 354.248 2.933 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279071621 256378499 /nfs/dbraw/zinc/37/84/99/256378499.db2.gz LUOUIDOJMWBIBO-IBGZPJMESA-N 2 1 360.502 2.934 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631988 508199589 /nfs/dbraw/zinc/19/95/89/508199589.db2.gz PJMRTFCQDHBBQA-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631988 508199591 /nfs/dbraw/zinc/19/95/91/508199591.db2.gz PJMRTFCQDHBBQA-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631988 508199595 /nfs/dbraw/zinc/19/95/95/508199595.db2.gz PJMRTFCQDHBBQA-KRWDZBQOSA-N 2 1 374.485 2.896 20 5 FFBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236807588 509507036 /nfs/dbraw/zinc/50/70/36/509507036.db2.gz CYFKHYCLJLOUJM-HNNXBMFYSA-N 2 1 357.458 2.817 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781863 510870524 /nfs/dbraw/zinc/87/05/24/510870524.db2.gz XTBUISOICGAPIQ-JKIFEVAISA-N 2 1 357.414 2.701 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781863 510870525 /nfs/dbraw/zinc/87/05/25/510870525.db2.gz XTBUISOICGAPIQ-JKIFEVAISA-N 2 1 357.414 2.701 20 5 FFBDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391075 514126462 /nfs/dbraw/zinc/12/64/62/514126462.db2.gz NXLKOSPLNCTJRR-DOTOQJQBSA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475728401 514781419 /nfs/dbraw/zinc/78/14/19/514781419.db2.gz AKZHSCHQBDNUOW-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475728401 514781427 /nfs/dbraw/zinc/78/14/27/514781427.db2.gz AKZHSCHQBDNUOW-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475728401 514781436 /nfs/dbraw/zinc/78/14/36/514781436.db2.gz AKZHSCHQBDNUOW-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475728401 514781444 /nfs/dbraw/zinc/78/14/44/514781444.db2.gz AKZHSCHQBDNUOW-HXUWFJFHSA-N 2 1 369.469 2.779 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000470208594 516172384 /nfs/dbraw/zinc/17/23/84/516172384.db2.gz ZSXHOYRJELQYAE-NTCAYCPXSA-N 2 1 353.426 2.919 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690073 519318112 /nfs/dbraw/zinc/31/81/12/519318112.db2.gz MXOXQRMBHCKCEE-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690073 519318117 /nfs/dbraw/zinc/31/81/17/519318117.db2.gz MXOXQRMBHCKCEE-CQSZACIVSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000602876614 519942341 /nfs/dbraw/zinc/94/23/41/519942341.db2.gz HHXQICZXFPOYIN-UHFFFAOYSA-N 2 1 357.414 2.563 20 5 FFBDMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836184 520141032 /nfs/dbraw/zinc/14/10/32/520141032.db2.gz NDFQMCOSAKMQIW-WMZOPIPTSA-N 2 1 355.442 2.712 20 5 FFBDMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836184 520141044 /nfs/dbraw/zinc/14/10/44/520141044.db2.gz NDFQMCOSAKMQIW-WMZOPIPTSA-N 2 1 355.442 2.712 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595066142 520276132 /nfs/dbraw/zinc/27/61/32/520276132.db2.gz CQKWALIWZIVBQI-YLJYHZDGSA-N 2 1 367.449 2.939 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433819 520390349 /nfs/dbraw/zinc/39/03/49/520390349.db2.gz YBIYTEATLBCQHN-HUUCEWRRSA-N 2 1 363.458 2.824 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493519 520416812 /nfs/dbraw/zinc/41/68/12/520416812.db2.gz UBORCMQXIKAKSB-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900939 520807396 /nfs/dbraw/zinc/80/73/96/520807396.db2.gz PKUQIIQWVLHSOX-RDJZCZTQSA-N 2 1 374.485 2.942 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501769 738292945 /nfs/dbraw/zinc/29/29/45/738292945.db2.gz VHNXNQQJDDPSSP-QWRGUYRKSA-N 2 1 359.373 2.622 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099181 747268891 /nfs/dbraw/zinc/26/88/91/747268891.db2.gz GVESTRXOAPKMBQ-NVXWUHKLSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364252 747818456 /nfs/dbraw/zinc/81/84/56/747818456.db2.gz WZIWPVSNDJCEEQ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364252 747818461 /nfs/dbraw/zinc/81/84/61/747818461.db2.gz WZIWPVSNDJCEEQ-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781101 1014390982 /nfs/dbraw/zinc/39/09/82/1014390982.db2.gz CTQBWSWOVQNIQD-LPHOPBHVSA-N 2 1 360.502 2.669 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781101 1014390992 /nfs/dbraw/zinc/39/09/92/1014390992.db2.gz CTQBWSWOVQNIQD-LPHOPBHVSA-N 2 1 360.502 2.669 20 5 FFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526647 1014613487 /nfs/dbraw/zinc/61/34/87/1014613487.db2.gz UOLHPLHYOZJNSK-GOSISDBHSA-N 2 1 360.502 2.812 20 5 FFBDMP [NH3+]C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000905705771 980492713 /nfs/dbraw/zinc/49/27/13/980492713.db2.gz LQKLWPXKJGQJFI-UHFFFAOYSA-N 2 1 359.405 2.631 20 5 FFBDMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000880473542 1015845262 /nfs/dbraw/zinc/84/52/62/1015845262.db2.gz HWIYXSSSVILJMD-UHFFFAOYSA-N 2 1 364.421 2.623 20 5 FFBDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503751 1001814258 /nfs/dbraw/zinc/81/42/58/1001814258.db2.gz NRLDZRBUXGNAPH-OAHLLOKOSA-N 2 1 370.453 2.860 20 5 FFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727677 1006491387 /nfs/dbraw/zinc/49/13/87/1006491387.db2.gz CARAROWQFDZHHN-HNNXBMFYSA-N 2 1 356.426 2.880 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870392 1008908174 /nfs/dbraw/zinc/90/81/74/1008908174.db2.gz XIAZBVKOCGRPJM-IBGZPJMESA-N 2 1 360.458 2.697 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001246559275 1039396468 /nfs/dbraw/zinc/39/64/68/1039396468.db2.gz OUWRSUPDUWQBET-MELADBBJSA-N 2 1 353.438 2.980 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC001308823234 1052503165 /nfs/dbraw/zinc/50/31/65/1052503165.db2.gz MHSAMOSZLDCFQN-FQEVSTJZSA-N 2 1 359.470 2.714 20 5 FFBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473809317 1065373349 /nfs/dbraw/zinc/37/33/49/1065373349.db2.gz NKLWZUCCRGKRRU-HNNXBMFYSA-N 2 1 369.425 2.529 20 5 FFBDMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253379 508054778 /nfs/dbraw/zinc/05/47/78/508054778.db2.gz YIYDRPRMEWKNCA-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253379 508054780 /nfs/dbraw/zinc/05/47/80/508054780.db2.gz YIYDRPRMEWKNCA-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253379 508054782 /nfs/dbraw/zinc/05/47/82/508054782.db2.gz YIYDRPRMEWKNCA-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092253379 508054784 /nfs/dbraw/zinc/05/47/84/508054784.db2.gz YIYDRPRMEWKNCA-OAHLLOKOSA-N 2 1 357.458 2.769 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000367266722 512416152 /nfs/dbraw/zinc/41/61/52/512416152.db2.gz JDLYEFWPSCZISV-UHFFFAOYSA-N 2 1 351.422 2.668 20 5 FFBDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192828459 509662494 /nfs/dbraw/zinc/66/24/94/509662494.db2.gz HVDVBSMJPQCSPF-HXUWFJFHSA-N 2 1 360.502 2.835 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000237967640 509788090 /nfs/dbraw/zinc/78/80/90/509788090.db2.gz JBEQKLSDHNTODA-CQSZACIVSA-N 2 1 361.467 2.870 20 5 FFBDMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289062 514446441 /nfs/dbraw/zinc/44/64/41/514446441.db2.gz LILVSDDWBHNEGZ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289062 514446446 /nfs/dbraw/zinc/44/64/46/514446446.db2.gz LILVSDDWBHNEGZ-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734835 515778443 /nfs/dbraw/zinc/77/84/43/515778443.db2.gz OPIITLSDFBKUCH-QAPCUYQASA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734835 515778453 /nfs/dbraw/zinc/77/84/53/515778453.db2.gz OPIITLSDFBKUCH-QAPCUYQASA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734836 515778475 /nfs/dbraw/zinc/77/84/75/515778475.db2.gz OPIITLSDFBKUCH-YJBOKZPZSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734836 515778481 /nfs/dbraw/zinc/77/84/81/515778481.db2.gz OPIITLSDFBKUCH-YJBOKZPZSA-N 2 1 357.458 2.739 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866809 518021067 /nfs/dbraw/zinc/02/10/67/518021067.db2.gz HCPUMRQSPPDSBY-INIZCTEOSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866809 518021070 /nfs/dbraw/zinc/02/10/70/518021070.db2.gz HCPUMRQSPPDSBY-INIZCTEOSA-N 2 1 351.447 2.536 20 5 FFBDMP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620095 519581794 /nfs/dbraw/zinc/58/17/94/519581794.db2.gz MCQSNKSMSPQZFR-VHSXEESVSA-N 2 1 365.352 2.760 20 5 FFBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609029810 520180205 /nfs/dbraw/zinc/18/02/05/520180205.db2.gz GQTGTDKSORXGEB-UHFFFAOYSA-N 2 1 370.453 2.777 20 5 FFBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609029810 520180212 /nfs/dbraw/zinc/18/02/12/520180212.db2.gz GQTGTDKSORXGEB-UHFFFAOYSA-N 2 1 370.453 2.777 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+](C3CC3)C3COC3)CC2)cc1 ZINC001205960051 1032085278 /nfs/dbraw/zinc/08/52/78/1032085278.db2.gz JBPQPHFKQLKKLQ-UHFFFAOYSA-N 2 1 359.470 2.713 20 5 FFBDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394094 988554603 /nfs/dbraw/zinc/55/46/03/988554603.db2.gz UQMNQMNQMNXRAM-VBSBHUPXSA-N 2 1 361.486 2.863 20 5 FFBDMP O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CC[NH+](C2CC2)CC1 ZINC000813173126 995633327 /nfs/dbraw/zinc/63/33/27/995633327.db2.gz WTYHBWMAXKGOSI-IBGZPJMESA-N 2 1 373.453 2.587 20 5 FFBDMP O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CC[NH+](C2CC2)CC1 ZINC000813173126 995633335 /nfs/dbraw/zinc/63/33/35/995633335.db2.gz WTYHBWMAXKGOSI-IBGZPJMESA-N 2 1 373.453 2.587 20 5 FFBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509798 1005819640 /nfs/dbraw/zinc/81/96/40/1005819640.db2.gz STVYZGDXGSDOKZ-KBXCAEBGSA-N 2 1 370.453 2.594 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870249 1008908632 /nfs/dbraw/zinc/90/86/32/1008908632.db2.gz UAXKTOJUHKUTOU-IBGZPJMESA-N 2 1 360.458 2.697 20 5 FFBDMP C[NH+](C)C1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173014948 1012186542 /nfs/dbraw/zinc/18/65/42/1012186542.db2.gz XMBUQZUZZDLUEP-UHFFFAOYSA-N 2 1 368.428 2.868 20 5 FFBDMP C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001218354545 1033120917 /nfs/dbraw/zinc/12/09/17/1033120917.db2.gz BIFAILXPUXTYSM-UWJYYQICSA-N 2 1 371.501 2.773 20 5 FFBDMP Cc1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755780076 1023635545 /nfs/dbraw/zinc/63/55/45/1023635545.db2.gz MJDOGPFGCMEUNC-MRXNPFEDSA-N 2 1 357.458 2.874 20 5 FFBDMP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423673 1028165021 /nfs/dbraw/zinc/16/50/21/1028165021.db2.gz JDXKGHLVZXSWIQ-GCJKJVERSA-N 2 1 359.473 2.779 20 5 FFBDMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001162778392 1028654150 /nfs/dbraw/zinc/65/41/50/1028654150.db2.gz KTRZNHFDJDYQLM-LBPRGKRZSA-N 2 1 351.410 2.941 20 5 FFBDMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001162778392 1028654156 /nfs/dbraw/zinc/65/41/56/1028654156.db2.gz KTRZNHFDJDYQLM-LBPRGKRZSA-N 2 1 351.410 2.941 20 5 FFBDMP COc1cc(N2CCC([N@@H+]3CCCC[C@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648975 1039427157 /nfs/dbraw/zinc/42/71/57/1039427157.db2.gz NVNACSPGQFUDNE-HXUWFJFHSA-N 2 1 374.485 2.790 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CCCC[C@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648975 1039427161 /nfs/dbraw/zinc/42/71/61/1039427161.db2.gz NVNACSPGQFUDNE-HXUWFJFHSA-N 2 1 374.485 2.790 20 5 FFBDMP CN1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001308920540 1052519215 /nfs/dbraw/zinc/51/92/15/1052519215.db2.gz SUNHHWDASPKIMX-UHFFFAOYSA-N 2 1 374.529 2.875 20 5 FFBDMP C[N@H+]1C[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001353351258 1056324231 /nfs/dbraw/zinc/32/42/31/1056324231.db2.gz ICHWYMSAFBDRDB-HOJAQTOUSA-N 2 1 355.438 2.563 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123159230 508645206 /nfs/dbraw/zinc/64/52/06/508645206.db2.gz FGHIJJLETKHZJE-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254822 510391563 /nfs/dbraw/zinc/39/15/63/510391563.db2.gz JXYLTASMCOKQSE-SUMWQHHRSA-N 2 1 358.398 2.741 20 5 FFBDMP C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254822 510391571 /nfs/dbraw/zinc/39/15/71/510391571.db2.gz JXYLTASMCOKQSE-SUMWQHHRSA-N 2 1 358.398 2.741 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246546190 510548070 /nfs/dbraw/zinc/54/80/70/510548070.db2.gz AVESPDCOWVNIJK-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246546190 510548075 /nfs/dbraw/zinc/54/80/75/510548075.db2.gz AVESPDCOWVNIJK-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246546190 510548082 /nfs/dbraw/zinc/54/80/82/510548082.db2.gz AVESPDCOWVNIJK-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246617116 510586493 /nfs/dbraw/zinc/58/64/93/510586493.db2.gz DXPAQWSPXZTRNV-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000246617116 510586500 /nfs/dbraw/zinc/58/65/00/510586500.db2.gz DXPAQWSPXZTRNV-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000246617116 510586506 /nfs/dbraw/zinc/58/65/06/510586506.db2.gz DXPAQWSPXZTRNV-MAUKXSAKSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263780379 510837584 /nfs/dbraw/zinc/83/75/84/510837584.db2.gz FLTJZZGIGAEDMC-UHFFFAOYSA-N 2 1 354.414 2.680 20 5 FFBDMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133246 511478654 /nfs/dbraw/zinc/47/86/54/511478654.db2.gz LLBYWPTWHQNPIO-IBGZPJMESA-N 2 1 356.426 2.820 20 5 FFBDMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133246 511478662 /nfs/dbraw/zinc/47/86/62/511478662.db2.gz LLBYWPTWHQNPIO-IBGZPJMESA-N 2 1 356.426 2.820 20 5 FFBDMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133246 511478668 /nfs/dbraw/zinc/47/86/68/511478668.db2.gz LLBYWPTWHQNPIO-IBGZPJMESA-N 2 1 356.426 2.820 20 5 FFBDMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667533 511905348 /nfs/dbraw/zinc/90/53/48/511905348.db2.gz RPADCHPPUMGIPO-HNAYVOBHSA-N 2 1 370.453 2.665 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234639 513595742 /nfs/dbraw/zinc/59/57/42/513595742.db2.gz BEZOLUUUGOOFKD-KRWDZBQOSA-N 2 1 351.447 2.536 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234639 513595748 /nfs/dbraw/zinc/59/57/48/513595748.db2.gz BEZOLUUUGOOFKD-KRWDZBQOSA-N 2 1 351.447 2.536 20 5 FFBDMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000453595012 514710944 /nfs/dbraw/zinc/71/09/44/514710944.db2.gz JODCBUFFCVISSC-UHFFFAOYSA-N 2 1 357.458 2.959 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000468630010 515445512 /nfs/dbraw/zinc/44/55/12/515445512.db2.gz KHIIECLPBURTCQ-LGMDPLHJSA-N 2 1 360.502 2.861 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552067649 517061305 /nfs/dbraw/zinc/06/13/05/517061305.db2.gz SLAUTNPTKPGFEJ-QGZVFWFLSA-N 2 1 357.458 2.739 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000589497113 519018484 /nfs/dbraw/zinc/01/84/84/519018484.db2.gz BOKWDLXIPSCIQK-UHFFFAOYSA-N 2 1 363.458 2.934 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000612535873 520008169 /nfs/dbraw/zinc/00/81/69/520008169.db2.gz PXNRHKRXNOPWMZ-UHFFFAOYSA-N 2 1 364.465 2.583 20 5 FFBDMP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430723 520261842 /nfs/dbraw/zinc/26/18/42/520261842.db2.gz UNWHSWCAZYANGC-FUHWJXTLSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430723 520261848 /nfs/dbraw/zinc/26/18/48/520261848.db2.gz UNWHSWCAZYANGC-FUHWJXTLSA-N 2 1 357.458 2.500 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492564 520417111 /nfs/dbraw/zinc/41/71/11/520417111.db2.gz AOLFLJXJFGSSBK-HOTGVXAUSA-N 2 1 371.441 2.856 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000595900359 520804999 /nfs/dbraw/zinc/80/49/99/520804999.db2.gz DBUJNHSPUOYBEO-MRXNPFEDSA-N 2 1 371.441 2.856 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000595901471 520808113 /nfs/dbraw/zinc/80/81/13/520808113.db2.gz WNVKTJHSDDDQFD-MRXNPFEDSA-N 2 1 371.441 2.856 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000595901470 520808238 /nfs/dbraw/zinc/80/82/38/520808238.db2.gz WNVKTJHSDDDQFD-INIZCTEOSA-N 2 1 371.441 2.856 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316802 520905489 /nfs/dbraw/zinc/90/54/89/520905489.db2.gz XSTOSIDBOQRWFF-GMBSWORKSA-N 2 1 363.458 2.712 20 5 FFBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596097509 520910090 /nfs/dbraw/zinc/91/00/90/520910090.db2.gz YKBCKTIXDPLJFW-FGTMMUONSA-N 2 1 361.490 2.987 20 5 FFBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602543306 521404831 /nfs/dbraw/zinc/40/48/31/521404831.db2.gz AFMPHIXABIRUFI-MRXNPFEDSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377848 747820620 /nfs/dbraw/zinc/82/06/20/747820620.db2.gz OTRIBGCUPILWDR-RYUDHWBXSA-N 2 1 354.838 2.636 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377848 747820627 /nfs/dbraw/zinc/82/06/27/747820627.db2.gz OTRIBGCUPILWDR-RYUDHWBXSA-N 2 1 354.838 2.636 20 5 FFBDMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386326 747821736 /nfs/dbraw/zinc/82/17/36/747821736.db2.gz GSHUTJUGBYAFTA-ZDUSSCGKSA-N 2 1 366.849 2.508 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311580638 970060726 /nfs/dbraw/zinc/06/07/26/970060726.db2.gz CPVXRIBCPNKFHJ-YLJYHZDGSA-N 2 1 355.438 2.740 20 5 FFBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021545 1000017598 /nfs/dbraw/zinc/01/75/98/1000017598.db2.gz LJWAMRQGRKRDRJ-IEBWSBKVSA-N 2 1 358.486 2.815 20 5 FFBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509800 1005819479 /nfs/dbraw/zinc/81/94/79/1005819479.db2.gz STVYZGDXGSDOKZ-KSSFIOAISA-N 2 1 370.453 2.594 20 5 FFBDMP O=[N+]([O-])c1ccnn1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814225271 1006215871 /nfs/dbraw/zinc/21/58/71/1006215871.db2.gz QIDGFVKESVEBDP-UHFFFAOYSA-N 2 1 355.442 2.737 20 5 FFBDMP O=[N+]([O-])c1ccnn1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814225271 1006215880 /nfs/dbraw/zinc/21/58/80/1006215880.db2.gz QIDGFVKESVEBDP-UHFFFAOYSA-N 2 1 355.442 2.737 20 5 FFBDMP C[NH+](C)CC(=O)Nc1ccc2nc(O[C@@H]3CC[NH2+]C3)c3ccccc3c2c1 ZINC001218038653 1032965450 /nfs/dbraw/zinc/96/54/50/1032965450.db2.gz PSNSHUUHUZLSAP-OAHLLOKOSA-N 2 1 364.449 2.629 20 5 FFBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157765396 1029657913 /nfs/dbraw/zinc/65/79/13/1029657913.db2.gz PREIKSSMFSZRCO-VMSUTVGLSA-N 2 1 353.426 2.673 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160903 1039262787 /nfs/dbraw/zinc/26/27/87/1039262787.db2.gz PXADDQOZKFYWBY-MISYRCLQSA-N 2 1 359.470 2.733 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879173 1039515471 /nfs/dbraw/zinc/51/54/71/1039515471.db2.gz MMEKKNMLUOQILX-BSIFCXSSSA-N 2 1 351.450 2.999 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000278688335 256338320 /nfs/dbraw/zinc/33/83/20/256338320.db2.gz KFRIXKDTCKGTKL-HSALFYBXSA-N 2 1 359.470 2.940 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290486797 257334683 /nfs/dbraw/zinc/33/46/83/257334683.db2.gz OIVXLQYONLKKFZ-OAHLLOKOSA-N 2 1 363.458 2.776 20 5 FFBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074319829 508012014 /nfs/dbraw/zinc/01/20/14/508012014.db2.gz LBSFTWVAUYFCOP-UHFFFAOYSA-N 2 1 362.474 2.638 20 5 FFBDMP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085553 508544596 /nfs/dbraw/zinc/54/45/96/508544596.db2.gz QFLZIPXNGUPZHW-WMZOPIPTSA-N 2 1 362.474 2.613 20 5 FFBDMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085553 508544601 /nfs/dbraw/zinc/54/46/01/508544601.db2.gz QFLZIPXNGUPZHW-WMZOPIPTSA-N 2 1 362.474 2.613 20 5 FFBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749514 508638500 /nfs/dbraw/zinc/63/85/00/508638500.db2.gz GPUXIKCCDARUQW-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749514 508638504 /nfs/dbraw/zinc/63/85/04/508638504.db2.gz GPUXIKCCDARUQW-AWEZNQCLSA-N 2 1 366.437 2.726 20 5 FFBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749749 508638579 /nfs/dbraw/zinc/63/85/79/508638579.db2.gz GPUXIKCCDARUQW-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749749 508638583 /nfs/dbraw/zinc/63/85/83/508638583.db2.gz GPUXIKCCDARUQW-CQSZACIVSA-N 2 1 366.437 2.726 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835178 508903935 /nfs/dbraw/zinc/90/39/35/508903935.db2.gz KNXQTKSCPNXIJK-MRXNPFEDSA-N 2 1 360.458 2.650 20 5 FFBDMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000193001649 509732244 /nfs/dbraw/zinc/73/22/44/509732244.db2.gz LQNHHZQUGMSIBK-UHFFFAOYSA-N 2 1 360.502 2.975 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503807 510525339 /nfs/dbraw/zinc/52/53/39/510525339.db2.gz HWCVXQRWTPCDGW-KXBFYZLASA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503807 510525342 /nfs/dbraw/zinc/52/53/42/510525342.db2.gz HWCVXQRWTPCDGW-KXBFYZLASA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503807 510525344 /nfs/dbraw/zinc/52/53/44/510525344.db2.gz HWCVXQRWTPCDGW-KXBFYZLASA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503807 510525347 /nfs/dbraw/zinc/52/53/47/510525347.db2.gz HWCVXQRWTPCDGW-KXBFYZLASA-N 2 1 372.469 2.872 20 5 FFBDMP C[N@H+]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000246541533 510545689 /nfs/dbraw/zinc/54/56/89/510545689.db2.gz AQULGWWXIFFQHG-GOEBONIOSA-N 2 1 357.414 2.561 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000246571794 510562608 /nfs/dbraw/zinc/56/26/08/510562608.db2.gz BQPBFFUWVFHFRU-GJZGRUSLSA-N 2 1 371.441 2.610 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncccc1[N+](=O)[O-] ZINC000374200435 512705378 /nfs/dbraw/zinc/70/53/78/512705378.db2.gz PQEJDSORTDQIBT-UHFFFAOYSA-N 2 1 361.490 2.622 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332142 514098573 /nfs/dbraw/zinc/09/85/73/514098573.db2.gz CRFFEQWPAVGUCE-WMLDXEAASA-N 2 1 360.458 2.694 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845725 515029127 /nfs/dbraw/zinc/02/91/27/515029127.db2.gz LLXGUJIOMYQOIB-IRXDYDNUSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845725 515029136 /nfs/dbraw/zinc/02/91/36/515029136.db2.gz LLXGUJIOMYQOIB-IRXDYDNUSA-N 2 1 357.458 2.500 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899813 518775862 /nfs/dbraw/zinc/77/58/62/518775862.db2.gz XZTUVTZILCPDDS-GDBMZVCRSA-N 2 1 360.458 2.552 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492944 520415615 /nfs/dbraw/zinc/41/56/15/520415615.db2.gz ISXTWSBTNYKVMV-HOTGVXAUSA-N 2 1 363.458 2.694 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492897 520416309 /nfs/dbraw/zinc/41/63/09/520416309.db2.gz GSGLSVLTSAUBAH-SJORKVTESA-N 2 1 374.485 2.943 20 5 FFBDMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601202555 520684324 /nfs/dbraw/zinc/68/43/24/520684324.db2.gz CLDWARJOFAYYDW-UHFFFAOYSA-N 2 1 356.426 2.834 20 5 FFBDMP Cc1cc(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000602587481 521425773 /nfs/dbraw/zinc/42/57/73/521425773.db2.gz HYQMXJJAWHZUND-UHFFFAOYSA-N 2 1 355.442 2.803 20 5 FFBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000872067551 731726129 /nfs/dbraw/zinc/72/61/29/731726129.db2.gz BANGUMFDMHHHKG-CQSZACIVSA-N 2 1 366.531 2.993 20 5 FFBDMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CC[NH3+] ZINC000846225404 748434149 /nfs/dbraw/zinc/43/41/49/748434149.db2.gz ASPDCUZDUIFHTI-BLLLJJGKSA-N 2 1 352.410 2.512 20 5 FFBDMP Cc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896520522 971534885 /nfs/dbraw/zinc/53/48/85/971534885.db2.gz DALUVAPWFDVKAW-MRXNPFEDSA-N 2 1 356.426 2.539 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911834 960120532 /nfs/dbraw/zinc/12/05/32/960120532.db2.gz HWCVXQRWTPCDGW-BEFAXECRSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911834 960120535 /nfs/dbraw/zinc/12/05/35/960120535.db2.gz HWCVXQRWTPCDGW-BEFAXECRSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911834 960120543 /nfs/dbraw/zinc/12/05/43/960120543.db2.gz HWCVXQRWTPCDGW-BEFAXECRSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911834 960120549 /nfs/dbraw/zinc/12/05/49/960120549.db2.gz HWCVXQRWTPCDGW-BEFAXECRSA-N 2 1 372.469 2.872 20 5 FFBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073939 1014468948 /nfs/dbraw/zinc/46/89/48/1014468948.db2.gz WAUXUJJGPLDYBU-CNXCKVANSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073939 1014468957 /nfs/dbraw/zinc/46/89/57/1014468957.db2.gz WAUXUJJGPLDYBU-CNXCKVANSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073941 1014469445 /nfs/dbraw/zinc/46/94/45/1014469445.db2.gz WAUXUJJGPLDYBU-WVLNKYAVSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073941 1014469454 /nfs/dbraw/zinc/46/94/54/1014469454.db2.gz WAUXUJJGPLDYBU-WVLNKYAVSA-N 2 1 369.469 2.995 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000880475063 1015845182 /nfs/dbraw/zinc/84/51/82/1015845182.db2.gz SKVUQSKLBNBDTE-UHFFFAOYSA-N 2 1 360.458 2.792 20 5 FFBDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503750 1001813870 /nfs/dbraw/zinc/81/38/70/1001813870.db2.gz NRLDZRBUXGNAPH-HNNXBMFYSA-N 2 1 370.453 2.860 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCc4c[nH]nc4C3)CC2)cc1 ZINC001180147703 1009580709 /nfs/dbraw/zinc/58/07/09/1009580709.db2.gz LKZLDKJLJYCUCV-UHFFFAOYSA-N 2 1 369.469 2.631 20 5 FFBDMP Cc1nccn1CCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957699 1020330035 /nfs/dbraw/zinc/33/00/35/1020330035.db2.gz JLDVJZRFJSKAJJ-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957699 1020330050 /nfs/dbraw/zinc/33/00/50/1020330050.db2.gz JLDVJZRFJSKAJJ-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP C[C@H](C[N+](C)(C)C)Oc1ccc(C[C@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001218354544 1033120215 /nfs/dbraw/zinc/12/02/15/1033120215.db2.gz BIFAILXPUXTYSM-UTKZUKDTSA-N 2 1 371.501 2.773 20 5 FFBDMP C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155257846 1028647650 /nfs/dbraw/zinc/64/76/50/1028647650.db2.gz KKLANBACULYBMP-BCPZQOPPSA-N 2 1 352.398 2.881 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000841041417 1029995353 /nfs/dbraw/zinc/99/53/53/1029995353.db2.gz FSZHGKYRFZXGSG-UHFFFAOYSA-N 2 1 369.469 2.728 20 5 FFBDMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485935 1039367816 /nfs/dbraw/zinc/36/78/16/1039367816.db2.gz XDMIQLRENUWDEE-CVEARBPZSA-N 2 1 362.477 2.848 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001246559268 1039396149 /nfs/dbraw/zinc/39/61/49/1039396149.db2.gz OUWRSUPDUWQBET-HZSPNIEDSA-N 2 1 353.438 2.980 20 5 FFBDMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001353351259 1056324721 /nfs/dbraw/zinc/32/47/21/1056324721.db2.gz ICHWYMSAFBDRDB-YZGWKJHDSA-N 2 1 355.438 2.563 20 5 FFBDMP CC[C@@H]1CN(C)CC[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462267744 1061562805 /nfs/dbraw/zinc/56/28/05/1061562805.db2.gz DAJPUKALNLNFAD-HXUWFJFHSA-N 2 1 374.529 2.875 20 5 FFBDMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504587 252054423 /nfs/dbraw/zinc/05/44/23/252054423.db2.gz WFUJUAQINOOJAM-UHFFFAOYSA-N 2 1 370.356 2.542 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000105476374 508373194 /nfs/dbraw/zinc/37/31/94/508373194.db2.gz ADZLAGCUFOOQQY-UHFFFAOYSA-N 2 1 372.469 2.972 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123509284 508697448 /nfs/dbraw/zinc/69/74/48/508697448.db2.gz LFABQHQQOHOZRH-HNNXBMFYSA-N 2 1 362.474 2.976 20 5 FFBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129676859 508753282 /nfs/dbraw/zinc/75/32/82/508753282.db2.gz STPCRHRMIOFILM-YOEHRIQHSA-N 2 1 357.414 2.703 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389419 510125970 /nfs/dbraw/zinc/12/59/70/510125970.db2.gz VSFDCAKGHYDGLV-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262148738 510192456 /nfs/dbraw/zinc/19/24/56/510192456.db2.gz QSYHHADPTRSXRW-OAHLLOKOSA-N 2 1 372.494 2.803 20 5 FFBDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174773862 510304324 /nfs/dbraw/zinc/30/43/24/510304324.db2.gz OYJZDIHMMSOEPM-MLGOLLRUSA-N 2 1 368.865 2.849 20 5 FFBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390795 510957721 /nfs/dbraw/zinc/95/77/21/510957721.db2.gz DMJUZKAXDUQZAW-QGZVFWFLSA-N 2 1 357.458 2.682 20 5 FFBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390795 510957724 /nfs/dbraw/zinc/95/77/24/510957724.db2.gz DMJUZKAXDUQZAW-QGZVFWFLSA-N 2 1 357.458 2.682 20 5 FFBDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119910 514450952 /nfs/dbraw/zinc/45/09/52/514450952.db2.gz FUJZHZVBNZPSIS-WMLDXEAASA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1ccc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000415140308 514465217 /nfs/dbraw/zinc/46/52/17/514465217.db2.gz YPELZPBOLQFVSP-UHFFFAOYSA-N 2 1 368.481 2.986 20 5 FFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490012927 515067978 /nfs/dbraw/zinc/06/79/78/515067978.db2.gz KFNRASDACANNFT-MRXNPFEDSA-N 2 1 351.447 2.536 20 5 FFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000589199408 518949436 /nfs/dbraw/zinc/94/94/36/518949436.db2.gz HYJWSAWPCLDAEO-HNNXBMFYSA-N 2 1 361.442 2.530 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493000 520416039 /nfs/dbraw/zinc/41/60/39/520416039.db2.gz LGPCFSNHDHSLQE-IAGOWNOFSA-N 2 1 374.485 2.943 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492969 520416603 /nfs/dbraw/zinc/41/66/03/520416603.db2.gz JVAUFIOWCXKHLM-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000601136833 520654150 /nfs/dbraw/zinc/65/41/50/520654150.db2.gz YRCDLALLEADRDE-BEFAXECRSA-N 2 1 369.469 2.605 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901526 520807690 /nfs/dbraw/zinc/80/76/90/520807690.db2.gz XUSNFMDJZDYJQF-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602512975 521388023 /nfs/dbraw/zinc/38/80/23/521388023.db2.gz YRRUSZUFPAUTMJ-UHFFFAOYSA-N 2 1 374.407 2.731 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853774848 750160444 /nfs/dbraw/zinc/16/04/44/750160444.db2.gz WURUZAWTFJOJBG-LBPRGKRZSA-N 2 1 351.476 2.888 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853774848 750160449 /nfs/dbraw/zinc/16/04/49/750160449.db2.gz WURUZAWTFJOJBG-LBPRGKRZSA-N 2 1 351.476 2.888 20 5 FFBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001169019593 1000017520 /nfs/dbraw/zinc/01/75/20/1000017520.db2.gz GSNAMIYUYWHECH-PMACEKPBSA-N 2 1 373.497 2.799 20 5 FFBDMP COc1ccc(C[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329803 1003116177 /nfs/dbraw/zinc/11/61/77/1003116177.db2.gz UVYSHGLRBNCJGT-OAHLLOKOSA-N 2 1 356.426 2.752 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819275535 1008097682 /nfs/dbraw/zinc/09/76/82/1008097682.db2.gz WVMUDIRSGWFRGN-PXNSSMCTSA-N 2 1 355.438 2.740 20 5 FFBDMP C[C@@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176250985 509402262 /nfs/dbraw/zinc/40/22/62/509402262.db2.gz KBFZPODSEAHQJZ-SJLPKXTDSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000176250985 509402268 /nfs/dbraw/zinc/40/22/68/509402268.db2.gz KBFZPODSEAHQJZ-SJLPKXTDSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176250985 509402276 /nfs/dbraw/zinc/40/22/76/509402276.db2.gz KBFZPODSEAHQJZ-SJLPKXTDSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176250985 509402284 /nfs/dbraw/zinc/40/22/84/509402284.db2.gz KBFZPODSEAHQJZ-SJLPKXTDSA-N 2 1 357.458 2.776 20 5 FFBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261776086 510060620 /nfs/dbraw/zinc/06/06/20/510060620.db2.gz PCPOCLWILJBTKL-APWZRJJASA-N 2 1 368.437 2.598 20 5 FFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715453 513911229 /nfs/dbraw/zinc/91/12/29/513911229.db2.gz MEJYGEBOALSARO-XLIONFOSSA-N 2 1 369.421 2.949 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533271445 517376027 /nfs/dbraw/zinc/37/60/27/517376027.db2.gz ZRTRIEROHVVXOF-UHFFFAOYSA-N 2 1 374.485 2.536 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533271445 517376040 /nfs/dbraw/zinc/37/60/40/517376040.db2.gz ZRTRIEROHVVXOF-UHFFFAOYSA-N 2 1 374.485 2.536 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533271445 517376049 /nfs/dbraw/zinc/37/60/49/517376049.db2.gz ZRTRIEROHVVXOF-UHFFFAOYSA-N 2 1 374.485 2.536 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878503 519944368 /nfs/dbraw/zinc/94/43/68/519944368.db2.gz XOYFIRWYOCUOJH-HNNXBMFYSA-N 2 1 360.458 2.648 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595005569 520252207 /nfs/dbraw/zinc/25/22/07/520252207.db2.gz AQDJEUHTGLKLHS-MRXNPFEDSA-N 2 1 364.490 2.672 20 5 FFBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000600772292 520459313 /nfs/dbraw/zinc/45/93/13/520459313.db2.gz IIPSWLFCJQKNDR-INIZCTEOSA-N 2 1 353.850 2.839 20 5 FFBDMP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000601136834 520654422 /nfs/dbraw/zinc/65/44/22/520654422.db2.gz YRCDLALLEADRDE-DNVCBOLYSA-N 2 1 369.469 2.605 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900782 520804509 /nfs/dbraw/zinc/80/45/09/520804509.db2.gz LDZAMUXLZMYIFT-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000595900809 520808165 /nfs/dbraw/zinc/80/81/65/520808165.db2.gz MCZVVODISJJPDO-INIZCTEOSA-N 2 1 371.441 2.856 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901291 520808513 /nfs/dbraw/zinc/80/85/13/520808513.db2.gz UUEAVHDNCMVHTI-HOCLYGCPSA-N 2 1 360.458 2.633 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316804 520905122 /nfs/dbraw/zinc/90/51/22/520905122.db2.gz XSTOSIDBOQRWFF-URLQWDBASA-N 2 1 363.458 2.712 20 5 FFBDMP CCOc1cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297288 521086321 /nfs/dbraw/zinc/08/63/21/521086321.db2.gz COTMBPVAEHNJOH-KRWDZBQOSA-N 2 1 362.474 2.598 20 5 FFBDMP CCOc1cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297288 521086325 /nfs/dbraw/zinc/08/63/25/521086325.db2.gz COTMBPVAEHNJOH-KRWDZBQOSA-N 2 1 362.474 2.598 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602824050 521553001 /nfs/dbraw/zinc/55/30/01/521553001.db2.gz LITNZQAQVKWTKF-SFHVURJKSA-N 2 1 371.485 2.990 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602824050 521553007 /nfs/dbraw/zinc/55/30/07/521553007.db2.gz LITNZQAQVKWTKF-SFHVURJKSA-N 2 1 371.485 2.990 20 5 FFBDMP O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903980615 736199125 /nfs/dbraw/zinc/19/91/25/736199125.db2.gz VVYUMELOWFOTAZ-IYBDPMFKSA-N 2 1 364.877 2.649 20 5 FFBDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385380 738134745 /nfs/dbraw/zinc/13/47/45/738134745.db2.gz ASZDZKJNAYTHMH-BDXSIMOUSA-N 2 1 367.877 2.818 20 5 FFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741413 741338918 /nfs/dbraw/zinc/33/89/18/741338918.db2.gz OKNSKTODEVTERV-INIZCTEOSA-N 2 1 366.893 2.849 20 5 FFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741413 741338922 /nfs/dbraw/zinc/33/89/22/741338922.db2.gz OKNSKTODEVTERV-INIZCTEOSA-N 2 1 366.893 2.849 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087672 747265884 /nfs/dbraw/zinc/26/58/84/747265884.db2.gz PTZWNZHXQHZSBR-UHFFFAOYSA-N 2 1 352.866 2.554 20 5 FFBDMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388212 747822170 /nfs/dbraw/zinc/82/21/70/747822170.db2.gz LPLSFYWREVXEDF-CHWSQXEVSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388212 747822176 /nfs/dbraw/zinc/82/21/76/747822176.db2.gz LPLSFYWREVXEDF-CHWSQXEVSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387115 747822495 /nfs/dbraw/zinc/82/24/95/747822495.db2.gz FEFXJYPLBQTVHU-OLZOCXBDSA-N 2 1 366.849 2.508 20 5 FFBDMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911807 960120114 /nfs/dbraw/zinc/12/01/14/960120114.db2.gz HWCVXQRWTPCDGW-DNVCBOLYSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911807 960120123 /nfs/dbraw/zinc/12/01/23/960120123.db2.gz HWCVXQRWTPCDGW-DNVCBOLYSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911807 960120130 /nfs/dbraw/zinc/12/01/30/960120130.db2.gz HWCVXQRWTPCDGW-DNVCBOLYSA-N 2 1 372.469 2.872 20 5 FFBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911807 960120135 /nfs/dbraw/zinc/12/01/35/960120135.db2.gz HWCVXQRWTPCDGW-DNVCBOLYSA-N 2 1 372.469 2.872 20 5 FFBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987861 1000015884 /nfs/dbraw/zinc/01/58/84/1000015884.db2.gz KXMWPFYMDGZPIS-PKOBYXMFSA-N 2 1 361.486 2.737 20 5 FFBDMP Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000855346042 1007294578 /nfs/dbraw/zinc/29/45/78/1007294578.db2.gz MJVRRKCEUOPGQW-ZDUSSCGKSA-N 2 1 370.881 2.558 20 5 FFBDMP Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000855346042 1007294584 /nfs/dbraw/zinc/29/45/84/1007294584.db2.gz MJVRRKCEUOPGQW-ZDUSSCGKSA-N 2 1 370.881 2.558 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819275534 1008097707 /nfs/dbraw/zinc/09/77/07/1008097707.db2.gz WVMUDIRSGWFRGN-FXAWDEMLSA-N 2 1 355.438 2.740 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819275537 1008097738 /nfs/dbraw/zinc/09/77/38/1008097738.db2.gz WVMUDIRSGWFRGN-YLJYHZDGSA-N 2 1 355.438 2.740 20 5 FFBDMP CN(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000859214615 1008488227 /nfs/dbraw/zinc/48/82/27/1008488227.db2.gz LJXASOABQORITL-UHFFFAOYSA-N 2 1 370.453 2.751 20 5 FFBDMP CN(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000859214615 1008488228 /nfs/dbraw/zinc/48/82/28/1008488228.db2.gz LJXASOABQORITL-UHFFFAOYSA-N 2 1 370.453 2.751 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCC[C@H](CO)C3)CC2)cc1 ZINC001179849834 1009470140 /nfs/dbraw/zinc/47/01/40/1009470140.db2.gz KDDDNGHAYFALCB-IBGZPJMESA-N 2 1 361.486 2.554 20 5 FFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862166580 1009729142 /nfs/dbraw/zinc/72/91/42/1009729142.db2.gz IRJCUUDJUNNOKX-HNNXBMFYSA-N 2 1 372.469 2.750 20 5 FFBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862166580 1009729153 /nfs/dbraw/zinc/72/91/53/1009729153.db2.gz IRJCUUDJUNNOKX-HNNXBMFYSA-N 2 1 372.469 2.750 20 5 FFBDMP C[NH+](C)/C=C/c1cc(-n2cncc2-c2cccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001162564965 1028581373 /nfs/dbraw/zinc/58/13/73/1028581373.db2.gz LPRLBDIJBWEXJV-VOTSOKGWSA-N 2 1 364.409 2.834 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001246558629 1039396922 /nfs/dbraw/zinc/39/69/22/1039396922.db2.gz NNNRYOPMYMLWTA-PXAZEXFGSA-N 2 1 357.401 2.826 20 5 FFBDMP CO[C@@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474367780 1065503620 /nfs/dbraw/zinc/50/36/20/1065503620.db2.gz OQPGZUQDQRVTME-HXUWFJFHSA-N 2 1 361.486 2.960 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332376384 258227793 /nfs/dbraw/zinc/22/77/93/258227793.db2.gz DMYHZUNTEYFCHK-ZWOKBUDYSA-N 2 1 360.502 2.922 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332376384 258227794 /nfs/dbraw/zinc/22/77/94/258227794.db2.gz DMYHZUNTEYFCHK-ZWOKBUDYSA-N 2 1 360.502 2.922 20 5 FFBDMP NC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045807025 507025416 /nfs/dbraw/zinc/02/54/16/507025416.db2.gz LVVMZLWQOPHJSJ-UHFFFAOYSA-N 2 1 374.485 2.782 20 5 FFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095873 508136467 /nfs/dbraw/zinc/13/64/67/508136467.db2.gz QZEDUSYWWSDMSM-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095873 508136469 /nfs/dbraw/zinc/13/64/69/508136469.db2.gz QZEDUSYWWSDMSM-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095873 508136472 /nfs/dbraw/zinc/13/64/72/508136472.db2.gz QZEDUSYWWSDMSM-CRAIPNDOSA-N 2 1 362.474 2.894 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000246945626 510760892 /nfs/dbraw/zinc/76/08/92/510760892.db2.gz HZGQSVCKEJWKHL-LJQANCHMSA-N 2 1 360.502 2.533 20 5 FFBDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084404 511993728 /nfs/dbraw/zinc/99/37/28/511993728.db2.gz JSLALKCJHCMMPG-SOVGHPHASA-N 2 1 362.474 2.596 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533270531 517376443 /nfs/dbraw/zinc/37/64/43/517376443.db2.gz FDADCAGZAXJSQL-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533270531 517376455 /nfs/dbraw/zinc/37/64/55/517376455.db2.gz FDADCAGZAXJSQL-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533270531 517376470 /nfs/dbraw/zinc/37/64/70/517376470.db2.gz FDADCAGZAXJSQL-UHFFFAOYSA-N 2 1 362.474 2.894 20 5 FFBDMP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264229 517611115 /nfs/dbraw/zinc/61/11/15/517611115.db2.gz ILTWQBYCSMPYHP-GOEBONIOSA-N 2 1 356.426 2.751 20 5 FFBDMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836180 520140567 /nfs/dbraw/zinc/14/05/67/520140567.db2.gz NDFQMCOSAKMQIW-FUHWJXTLSA-N 2 1 355.442 2.712 20 5 FFBDMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836180 520140575 /nfs/dbraw/zinc/14/05/75/520140575.db2.gz NDFQMCOSAKMQIW-FUHWJXTLSA-N 2 1 355.442 2.712 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493034 520415548 /nfs/dbraw/zinc/41/55/48/520415548.db2.gz MUNIEVNUEFMLNL-OAGGEKHMSA-N 2 1 360.458 2.633 20 5 FFBDMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492943 520416857 /nfs/dbraw/zinc/41/68/57/520416857.db2.gz ISXTWSBTNYKVMV-CVEARBPZSA-N 2 1 363.458 2.694 20 5 FFBDMP COc1cc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124312 520926474 /nfs/dbraw/zinc/92/64/74/520926474.db2.gz VHDOUZRMXUIRQV-LBPRGKRZSA-N 2 1 368.865 2.837 20 5 FFBDMP COc1cc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124312 520926485 /nfs/dbraw/zinc/92/64/85/520926485.db2.gz VHDOUZRMXUIRQV-LBPRGKRZSA-N 2 1 368.865 2.837 20 5 FFBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276066 521075743 /nfs/dbraw/zinc/07/57/43/521075743.db2.gz JVUMXUPXUYEJOG-WPGJWXSHSA-N 2 1 358.486 2.708 20 5 FFBDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522099 521392305 /nfs/dbraw/zinc/39/23/05/521392305.db2.gz CULABGKXQJDTIO-HZPDHXFCSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522099 521392315 /nfs/dbraw/zinc/39/23/15/521392315.db2.gz CULABGKXQJDTIO-HZPDHXFCSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000866347743 731051278 /nfs/dbraw/zinc/05/12/78/731051278.db2.gz JJGPLIOGPRYKTC-GJZGRUSLSA-N 2 1 353.438 2.755 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000866347743 731051279 /nfs/dbraw/zinc/05/12/79/731051279.db2.gz JJGPLIOGPRYKTC-GJZGRUSLSA-N 2 1 353.438 2.755 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903343 748133379 /nfs/dbraw/zinc/13/33/79/748133379.db2.gz XQEUCXROZXHCAV-SRCQZFHVSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073940 1014469244 /nfs/dbraw/zinc/46/92/44/1014469244.db2.gz WAUXUJJGPLDYBU-GIESBBMHSA-N 2 1 369.469 2.995 20 5 FFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073940 1014469249 /nfs/dbraw/zinc/46/92/49/1014469249.db2.gz WAUXUJJGPLDYBU-GIESBBMHSA-N 2 1 369.469 2.995 20 5 FFBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987858 1000015890 /nfs/dbraw/zinc/01/58/90/1000015890.db2.gz KXMWPFYMDGZPIS-HKUYNNGSSA-N 2 1 361.486 2.737 20 5 FFBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172910296 1012122362 /nfs/dbraw/zinc/12/23/62/1012122362.db2.gz XRCBSUORGMCKCD-QGZVFWFLSA-N 2 1 372.469 2.972 20 5 FFBDMP CC[NH+]1CCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011800 1012182180 /nfs/dbraw/zinc/18/21/80/1012182180.db2.gz KDOOHXLDAJSUMM-UHFFFAOYSA-N 2 1 368.428 2.916 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1F ZINC001173179739 1012322569 /nfs/dbraw/zinc/32/25/69/1012322569.db2.gz PKGOYWGQDOFAQC-ZIAGYGMSSA-N 2 1 353.438 2.995 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000278688338 256338556 /nfs/dbraw/zinc/33/85/56/256338556.db2.gz KFRIXKDTCKGTKL-VAMGGRTRSA-N 2 1 359.470 2.940 20 5 FFBDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294447627 257588197 /nfs/dbraw/zinc/58/81/97/257588197.db2.gz VMBZERHSGVBKMQ-CQSZACIVSA-N 2 1 373.457 2.753 20 5 FFBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884815 512233348 /nfs/dbraw/zinc/23/33/48/512233348.db2.gz ORNPEGMJPZCVMJ-HNNXBMFYSA-N 2 1 360.458 2.730 20 5 FFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617389 512356157 /nfs/dbraw/zinc/35/61/57/512356157.db2.gz APUHAJUTOSPKKB-XZXOBPBMSA-N 2 1 358.486 2.708 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150776324 508891383 /nfs/dbraw/zinc/89/13/83/508891383.db2.gz UHBCWSASHYYVLI-INIZCTEOSA-N 2 1 360.458 2.650 20 5 FFBDMP O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243747 /nfs/dbraw/zinc/24/37/47/509243747.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243753 /nfs/dbraw/zinc/24/37/53/509243753.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243759 /nfs/dbraw/zinc/24/37/59/509243759.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243767 /nfs/dbraw/zinc/24/37/67/509243767.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243775 /nfs/dbraw/zinc/24/37/75/509243775.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 1 369.469 2.778 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478873 510993252 /nfs/dbraw/zinc/99/32/52/510993252.db2.gz LMFNXSRCCSLQGD-RHSMWYFYSA-N 2 1 353.438 2.961 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478873 510993255 /nfs/dbraw/zinc/99/32/55/510993255.db2.gz LMFNXSRCCSLQGD-RHSMWYFYSA-N 2 1 353.438 2.961 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271481716 511219264 /nfs/dbraw/zinc/21/92/64/511219264.db2.gz NPSMRMKGRIXIGK-LPHOPBHVSA-N 2 1 365.474 2.700 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366588589 512096391 /nfs/dbraw/zinc/09/63/91/512096391.db2.gz CVJQBWGQLLMUMB-UHFFFAOYSA-N 2 1 369.469 2.779 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449160995 514098094 /nfs/dbraw/zinc/09/80/94/514098094.db2.gz DAERGSDXZAVCST-LAUBAEHRSA-N 2 1 369.465 2.752 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160995 514098104 /nfs/dbraw/zinc/09/81/04/514098104.db2.gz DAERGSDXZAVCST-LAUBAEHRSA-N 2 1 369.465 2.752 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332986 514098133 /nfs/dbraw/zinc/09/81/33/514098133.db2.gz DUKHWMRJKNORDW-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386028 514120465 /nfs/dbraw/zinc/12/04/65/514120465.db2.gz UILVMZZKRCRUEF-WBVHZDCISA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000423526126 514163006 /nfs/dbraw/zinc/16/30/06/514163006.db2.gz YYKWETKIBWLZRQ-MHJFOBGBSA-N 2 1 372.513 2.722 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282775 514446054 /nfs/dbraw/zinc/44/60/54/514446054.db2.gz AKRJBAIAOGSMAT-OAHLLOKOSA-N 2 1 360.458 2.696 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405247 514622850 /nfs/dbraw/zinc/62/28/50/514622850.db2.gz QEUUKCSQUMXSSB-GOSISDBHSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405247 514622860 /nfs/dbraw/zinc/62/28/60/514622860.db2.gz QEUUKCSQUMXSSB-GOSISDBHSA-N 2 1 357.458 2.882 20 5 FFBDMP Cn1ccnc1[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721778 515770172 /nfs/dbraw/zinc/77/01/72/515770172.db2.gz AWKLXBXGFCNSJU-MAUKXSAKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721778 515770177 /nfs/dbraw/zinc/77/01/77/515770177.db2.gz AWKLXBXGFCNSJU-MAUKXSAKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721778 515770182 /nfs/dbraw/zinc/77/01/82/515770182.db2.gz AWKLXBXGFCNSJU-MAUKXSAKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878504 519944835 /nfs/dbraw/zinc/94/48/35/519944835.db2.gz XOYFIRWYOCUOJH-OAHLLOKOSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901510 520808778 /nfs/dbraw/zinc/80/87/78/520808778.db2.gz XRLDAXUXZCMLIQ-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000931481899 739272465 /nfs/dbraw/zinc/27/24/65/739272465.db2.gz WXIAWENBWFYSFJ-UHFFFAOYSA-N 2 1 361.364 2.502 20 5 FFBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099379 747268913 /nfs/dbraw/zinc/26/89/13/747268913.db2.gz JHIPKGBXPBIXEM-RDJZCZTQSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099182 747269100 /nfs/dbraw/zinc/26/91/00/747269100.db2.gz GVESTRXOAPKMBQ-RDJZCZTQSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104781 747270833 /nfs/dbraw/zinc/27/08/33/747270833.db2.gz SHDANMZUPQLKCE-WBVHZDCISA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311580632 970060545 /nfs/dbraw/zinc/06/05/45/970060545.db2.gz CPVXRIBCPNKFHJ-PXNSSMCTSA-N 2 1 355.438 2.740 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311580628 970060831 /nfs/dbraw/zinc/06/08/31/970060831.db2.gz CPVXRIBCPNKFHJ-FXAWDEMLSA-N 2 1 355.438 2.740 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505891 991198390 /nfs/dbraw/zinc/19/83/90/991198390.db2.gz DAUZUKHPSUUOHS-MRXNPFEDSA-N 2 1 374.485 2.943 20 5 FFBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000859215701 1008488827 /nfs/dbraw/zinc/48/88/27/1008488827.db2.gz PDADXGNYTPKGOC-LJQANCHMSA-N 2 1 373.453 2.528 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931308270 1020414176 /nfs/dbraw/zinc/41/41/76/1020414176.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931308270 1020414183 /nfs/dbraw/zinc/41/41/83/1020414183.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931308270 1020414185 /nfs/dbraw/zinc/41/41/85/1020414185.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931308270 1020414188 /nfs/dbraw/zinc/41/41/88/1020414188.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931308270 1020414191 /nfs/dbraw/zinc/41/41/91/1020414191.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308270 1020414192 /nfs/dbraw/zinc/41/41/92/1020414192.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308270 1020414195 /nfs/dbraw/zinc/41/41/95/1020414195.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 1 360.458 2.505 20 5 FFBDMP C[C@@H]1[NH2+]C[C@H]1Oc1nc2ccc(NC(=O)C[NH+](C)C)cc2c2ccccc21 ZINC001218385186 1033130940 /nfs/dbraw/zinc/13/09/40/1033130940.db2.gz GTLZUGAQKBXSDC-ORAYPTAESA-N 2 1 364.449 2.627 20 5 FFBDMP COc1cc(N2CCC(n3cc[nH+]c3CCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256094195 1038379869 /nfs/dbraw/zinc/37/98/69/1038379869.db2.gz HLPSXENNABZMOB-UHFFFAOYSA-N 2 1 359.430 2.533 20 5 FFBDMP COc1cc(N2CCC([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014133 1039581721 /nfs/dbraw/zinc/58/17/21/1039581721.db2.gz JDSWKEOCZCLOTO-MAUKXSAKSA-N 2 1 374.485 2.646 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200242 512381539 /nfs/dbraw/zinc/38/15/39/512381539.db2.gz NLQVGECTMHELEB-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200242 512381547 /nfs/dbraw/zinc/38/15/47/512381547.db2.gz NLQVGECTMHELEB-UHFFFAOYSA-N 2 1 360.458 2.650 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159114190 508794649 /nfs/dbraw/zinc/79/46/49/508794649.db2.gz OWZLPPXFLVIDPU-QUCCMNQESA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159114190 508794652 /nfs/dbraw/zinc/79/46/52/508794652.db2.gz OWZLPPXFLVIDPU-QUCCMNQESA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159114190 508794654 /nfs/dbraw/zinc/79/46/54/508794654.db2.gz OWZLPPXFLVIDPU-QUCCMNQESA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159114190 508794658 /nfs/dbraw/zinc/79/46/58/508794658.db2.gz OWZLPPXFLVIDPU-QUCCMNQESA-N 2 1 369.469 2.778 20 5 FFBDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084391 511994306 /nfs/dbraw/zinc/99/43/06/511994306.db2.gz JSLALKCJHCMMPG-IRWQIABSSA-N 2 1 362.474 2.596 20 5 FFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000374075380 512650614 /nfs/dbraw/zinc/65/06/14/512650614.db2.gz SPRGXTVPNYETQW-UHFFFAOYSA-N 2 1 371.441 2.953 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000442869119 513800242 /nfs/dbraw/zinc/80/02/42/513800242.db2.gz AORYXDQUGDTTNF-GOSISDBHSA-N 2 1 360.502 2.933 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332990 514097910 /nfs/dbraw/zinc/09/79/10/514097910.db2.gz DUKHWMRJKNORDW-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000449232997 514124992 /nfs/dbraw/zinc/12/49/92/514124992.db2.gz JXTUZQNEBJLXNN-OXQOHEQNSA-N 2 1 369.465 2.882 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309637 514286857 /nfs/dbraw/zinc/28/68/57/514286857.db2.gz JBHWEQFMQWANNI-FQEVSTJZSA-N 2 1 360.502 2.980 20 5 FFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044049 514414490 /nfs/dbraw/zinc/41/44/90/514414490.db2.gz ADCLVIBZQRTXLY-IPJUCJBFSA-N 2 1 360.502 2.722 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000470185048 516167987 /nfs/dbraw/zinc/16/79/87/516167987.db2.gz YAZIRTAWPYTXLS-IUPPMXBZSA-N 2 1 372.513 2.956 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000470185048 516167998 /nfs/dbraw/zinc/16/79/98/516167998.db2.gz YAZIRTAWPYTXLS-IUPPMXBZSA-N 2 1 372.513 2.956 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000532540498 517026377 /nfs/dbraw/zinc/02/63/77/517026377.db2.gz LIVYQMDORDVLQA-UHFFFAOYSA-N 2 1 374.485 2.536 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000532540498 517026389 /nfs/dbraw/zinc/02/63/89/517026389.db2.gz LIVYQMDORDVLQA-UHFFFAOYSA-N 2 1 374.485 2.536 20 5 FFBDMP CCc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403488 518073105 /nfs/dbraw/zinc/07/31/05/518073105.db2.gz UJDKPSPEZRTHTD-LJQANCHMSA-N 2 1 373.453 2.886 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000589495200 519018368 /nfs/dbraw/zinc/01/83/68/519018368.db2.gz YZWWTGIRAWYXDB-UHFFFAOYSA-N 2 1 361.442 2.689 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594976290 520237582 /nfs/dbraw/zinc/23/75/82/520237582.db2.gz YTJAYEQWZNZNKU-MNKBLEIRSA-N 2 1 367.449 2.964 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426371 520385967 /nfs/dbraw/zinc/38/59/67/520385967.db2.gz ZHRASMKHLCLPAC-VQIMIIECSA-N 2 1 369.469 2.959 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426371 520385971 /nfs/dbraw/zinc/38/59/71/520385971.db2.gz ZHRASMKHLCLPAC-VQIMIIECSA-N 2 1 369.469 2.959 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493949 520415889 /nfs/dbraw/zinc/41/58/89/520415889.db2.gz WWLSEFSGXPFWDB-SJORKVTESA-N 2 1 374.485 2.943 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492577 520416146 /nfs/dbraw/zinc/41/61/46/520416146.db2.gz AXYQFCXKWFQABD-BZUAXINKSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900243 520804589 /nfs/dbraw/zinc/80/45/89/520804589.db2.gz BYWQFHGDNHUXNU-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901449 520808499 /nfs/dbraw/zinc/80/84/99/520808499.db2.gz WHJYQDZABYKXMV-GOEBONIOSA-N 2 1 360.458 2.633 20 5 FFBDMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872023349 731721277 /nfs/dbraw/zinc/72/12/77/731721277.db2.gz RBNZDLKBYWEBHX-HNNXBMFYSA-N 2 1 352.454 2.802 20 5 FFBDMP COc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223414 731892562 /nfs/dbraw/zinc/89/25/62/731892562.db2.gz MFAVBIJQRLPWFR-GOSISDBHSA-N 2 1 351.447 2.809 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223414 731892565 /nfs/dbraw/zinc/89/25/65/731892565.db2.gz MFAVBIJQRLPWFR-GOSISDBHSA-N 2 1 351.447 2.809 20 5 FFBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000886841466 1008902014 /nfs/dbraw/zinc/90/20/14/1008902014.db2.gz MAULMKOSDBPXCY-UHFFFAOYSA-N 2 1 370.457 2.560 20 5 FFBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000886841466 1008902030 /nfs/dbraw/zinc/90/20/30/1008902030.db2.gz MAULMKOSDBPXCY-UHFFFAOYSA-N 2 1 370.457 2.560 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886869824 1008908042 /nfs/dbraw/zinc/90/80/42/1008908042.db2.gz JEAVTNXEXBCZTR-IBGZPJMESA-N 2 1 360.458 2.697 20 5 FFBDMP C[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000121643761 1011065656 /nfs/dbraw/zinc/06/56/56/1011065656.db2.gz DWCHIVFCZPOTDP-YOEHRIQHSA-N 2 1 367.413 2.590 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC001173180578 1012323794 /nfs/dbraw/zinc/32/37/94/1012323794.db2.gz WWJZTVNGWUVQGB-FQUUOJAGSA-N 2 1 351.422 2.888 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000749674212 1021018465 /nfs/dbraw/zinc/01/84/65/1021018465.db2.gz VWJNYDLLTDXOGR-HXUWFJFHSA-N 2 1 355.438 2.666 20 5 FFBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000749674212 1021018473 /nfs/dbraw/zinc/01/84/73/1021018473.db2.gz VWJNYDLLTDXOGR-HXUWFJFHSA-N 2 1 355.438 2.666 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3CN(Cc4cccnc4)C[C@H]3C1)C2 ZINC001254599386 1040830586 /nfs/dbraw/zinc/83/05/86/1040830586.db2.gz YNFPGGMGPPABAK-ZVDOUQERSA-N 2 1 364.449 2.521 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001327090260 1047185853 /nfs/dbraw/zinc/18/58/53/1047185853.db2.gz RWAANMYUPCXQRU-OAHLLOKOSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759992 1055771479 /nfs/dbraw/zinc/77/14/79/1055771479.db2.gz IDWDROPODDXYGD-HRCADAONSA-N 2 1 357.458 2.873 20 5 FFBDMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657620 256222787 /nfs/dbraw/zinc/22/27/87/256222787.db2.gz ZOQMYAXHSNUWPH-KRWDZBQOSA-N 2 1 357.458 2.911 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657620 256222788 /nfs/dbraw/zinc/22/27/88/256222788.db2.gz ZOQMYAXHSNUWPH-KRWDZBQOSA-N 2 1 357.458 2.911 20 5 FFBDMP Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302865892 258113019 /nfs/dbraw/zinc/11/30/19/258113019.db2.gz UQBVVMTXNVNJIG-GASCZTMLSA-N 2 1 358.442 2.997 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000159234038 508811794 /nfs/dbraw/zinc/81/17/94/508811794.db2.gz XWUABLDAYAZESK-OALUTQOASA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000159234038 508811796 /nfs/dbraw/zinc/81/17/96/508811796.db2.gz XWUABLDAYAZESK-OALUTQOASA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000159234038 508811799 /nfs/dbraw/zinc/81/17/99/508811799.db2.gz XWUABLDAYAZESK-OALUTQOASA-N 2 1 369.469 2.778 20 5 FFBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000159234038 508811801 /nfs/dbraw/zinc/81/18/01/508811801.db2.gz XWUABLDAYAZESK-OALUTQOASA-N 2 1 369.469 2.778 20 5 FFBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245711221 510101149 /nfs/dbraw/zinc/10/11/49/510101149.db2.gz STPCRHRMIOFILM-WMLDXEAASA-N 2 1 357.414 2.703 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246985603 510783313 /nfs/dbraw/zinc/78/33/13/510783313.db2.gz WCDXYMFMJJEDRK-RKVPGOIHSA-N 2 1 372.469 2.871 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478868 510993334 /nfs/dbraw/zinc/99/33/34/510993334.db2.gz LMFNXSRCCSLQGD-PBHICJAKSA-N 2 1 353.438 2.961 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478868 510993336 /nfs/dbraw/zinc/99/33/36/510993336.db2.gz LMFNXSRCCSLQGD-PBHICJAKSA-N 2 1 353.438 2.961 20 5 FFBDMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667535 511905273 /nfs/dbraw/zinc/90/52/73/511905273.db2.gz RPADCHPPUMGIPO-KXBFYZLASA-N 2 1 370.453 2.665 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423036626 514013778 /nfs/dbraw/zinc/01/37/78/514013778.db2.gz ATXACKXNUIHPIN-BZUAXINKSA-N 2 1 353.850 2.537 20 5 FFBDMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602948567 519989556 /nfs/dbraw/zinc/98/95/56/519989556.db2.gz AICYGQAASXQIOC-UHFFFAOYSA-N 2 1 360.458 2.874 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901601 520807091 /nfs/dbraw/zinc/80/70/91/520807091.db2.gz YRBPKIKSLVSDRR-MRXNPFEDSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522100 521392075 /nfs/dbraw/zinc/39/20/75/521392075.db2.gz CULABGKXQJDTIO-JKSUJKDBSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522100 521392087 /nfs/dbraw/zinc/39/20/87/521392087.db2.gz CULABGKXQJDTIO-JKSUJKDBSA-N 2 1 361.490 2.669 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377845 747820530 /nfs/dbraw/zinc/82/05/30/747820530.db2.gz OTRIBGCUPILWDR-NWDGAFQWSA-N 2 1 354.838 2.636 20 5 FFBDMP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377845 747820537 /nfs/dbraw/zinc/82/05/37/747820537.db2.gz OTRIBGCUPILWDR-NWDGAFQWSA-N 2 1 354.838 2.636 20 5 FFBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021547 1000017580 /nfs/dbraw/zinc/01/75/80/1000017580.db2.gz LJWAMRQGRKRDRJ-MJGOQNOKSA-N 2 1 358.486 2.815 20 5 FFBDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011689 1012182025 /nfs/dbraw/zinc/18/20/25/1012182025.db2.gz JNEJZLQUFMAQKP-CYBMUJFWSA-N 2 1 368.428 2.916 20 5 FFBDMP CCN1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001462222971 1061542592 /nfs/dbraw/zinc/54/25/92/1061542592.db2.gz DIRYALPYFKGWKR-SFHVURJKSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@@H+]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001462222971 1061542609 /nfs/dbraw/zinc/54/26/09/1061542609.db2.gz DIRYALPYFKGWKR-SFHVURJKSA-N 2 1 374.529 2.875 20 5 FFBDMP CC[N@H+]1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001462222971 1061542626 /nfs/dbraw/zinc/54/26/26/1061542626.db2.gz DIRYALPYFKGWKR-SFHVURJKSA-N 2 1 374.529 2.875 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000267398033 251345736 /nfs/dbraw/zinc/34/57/36/251345736.db2.gz FHHSJYSHPAQTLG-UONOGXRCSA-N 2 1 357.414 2.833 20 5 FFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823348 507858097 /nfs/dbraw/zinc/85/80/97/507858097.db2.gz OGKRAVCVCIMUAU-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130854013 508856440 /nfs/dbraw/zinc/85/64/40/508856440.db2.gz KTCAFIFHZBTVIR-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130854013 508856441 /nfs/dbraw/zinc/85/64/41/508856441.db2.gz KTCAFIFHZBTVIR-UHFFFAOYSA-N 2 1 359.430 2.759 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766473 509346305 /nfs/dbraw/zinc/34/63/05/509346305.db2.gz QYARXUCIYQMNAB-CVEARBPZSA-N 2 1 374.485 2.800 20 5 FFBDMP C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766473 509346316 /nfs/dbraw/zinc/34/63/16/509346316.db2.gz QYARXUCIYQMNAB-CVEARBPZSA-N 2 1 374.485 2.800 20 5 FFBDMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000192762226 509633483 /nfs/dbraw/zinc/63/34/83/509633483.db2.gz GFZSFZBKASIVKC-UHFFFAOYSA-N 2 1 360.502 2.975 20 5 FFBDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000170689572 509722759 /nfs/dbraw/zinc/72/27/59/509722759.db2.gz FEFIBMJWPXRDFQ-CALCHBBNSA-N 2 1 361.486 2.959 20 5 FFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000175100618 510483180 /nfs/dbraw/zinc/48/31/80/510483180.db2.gz POGKZJIMTNRESN-UHFFFAOYSA-N 2 1 363.458 2.538 20 5 FFBDMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000365628516 511568487 /nfs/dbraw/zinc/56/84/87/511568487.db2.gz LKZPYLNTMMMHGK-CQSZACIVSA-N 2 1 368.397 2.758 20 5 FFBDMP Cn1ccnc1[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000365628516 511568490 /nfs/dbraw/zinc/56/84/90/511568490.db2.gz LKZPYLNTMMMHGK-CQSZACIVSA-N 2 1 368.397 2.758 20 5 FFBDMP Cn1ccnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627904 511568986 /nfs/dbraw/zinc/56/89/86/511568986.db2.gz KQGFYKQEWLSXPW-AWEZNQCLSA-N 2 1 357.414 2.537 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023562 513490633 /nfs/dbraw/zinc/49/06/33/513490633.db2.gz LNMWUYHFQUVPHD-HNNXBMFYSA-N 2 1 362.430 2.669 20 5 FFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023562 513490640 /nfs/dbraw/zinc/49/06/40/513490640.db2.gz LNMWUYHFQUVPHD-HNNXBMFYSA-N 2 1 362.430 2.669 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442926738 513817023 /nfs/dbraw/zinc/81/70/23/513817023.db2.gz ZYUMTMIUVGOBCH-LBPRGKRZSA-N 2 1 373.400 2.808 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000420332153 514098387 /nfs/dbraw/zinc/09/83/87/514098387.db2.gz GEELFROVYLNZCI-MRXNPFEDSA-N 2 1 357.414 2.609 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332988 514098609 /nfs/dbraw/zinc/09/86/09/514098609.db2.gz DUKHWMRJKNORDW-HZPDHXFCSA-N 2 1 360.458 2.553 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337901 514100092 /nfs/dbraw/zinc/10/00/92/514100092.db2.gz KGIVPCZRRJQGCY-CVEARBPZSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC[NH2+]CC2 ZINC000424302111 514452392 /nfs/dbraw/zinc/45/23/92/514452392.db2.gz YYWWNTYHXZYKHM-ZDUSSCGKSA-N 2 1 357.414 2.609 20 5 FFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068138 517902596 /nfs/dbraw/zinc/90/25/96/517902596.db2.gz MCYZCBOCMUOTDH-UONOGXRCSA-N 2 1 359.430 2.743 20 5 FFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595066140 520276245 /nfs/dbraw/zinc/27/62/45/520276245.db2.gz CQKWALIWZIVBQI-PXNSSMCTSA-N 2 1 367.449 2.939 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478843 520407362 /nfs/dbraw/zinc/40/73/62/520407362.db2.gz KBSYNKOONYQHQZ-NVXWUHKLSA-N 2 1 360.458 2.696 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cn1 ZINC000602710443 521488959 /nfs/dbraw/zinc/48/89/59/521488959.db2.gz LGIIGBGJMJSFCM-QGZVFWFLSA-N 2 1 373.501 2.955 20 5 FFBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cn1 ZINC000602710443 521488968 /nfs/dbraw/zinc/48/89/68/521488968.db2.gz LGIIGBGJMJSFCM-QGZVFWFLSA-N 2 1 373.501 2.955 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013956 521603738 /nfs/dbraw/zinc/60/37/38/521603738.db2.gz JQJYVRRNTPINSZ-PZJWPPBQSA-N 2 1 369.465 2.610 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013956 521603741 /nfs/dbraw/zinc/60/37/41/521603741.db2.gz JQJYVRRNTPINSZ-PZJWPPBQSA-N 2 1 369.465 2.610 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501770 738292756 /nfs/dbraw/zinc/29/27/56/738292756.db2.gz VHNXNQQJDDPSSP-WDEREUQCSA-N 2 1 359.373 2.622 20 5 FFBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099380 747269041 /nfs/dbraw/zinc/26/90/41/747269041.db2.gz JHIPKGBXPBIXEM-WBVHZDCISA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311580635 970061177 /nfs/dbraw/zinc/06/11/77/970061177.db2.gz CPVXRIBCPNKFHJ-XLIONFOSSA-N 2 1 355.438 2.740 20 5 FFBDMP C[C@]([NH3+])(C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877301649 1014542347 /nfs/dbraw/zinc/54/23/47/1014542347.db2.gz YREVVQCNIXHNCG-HXUWFJFHSA-N 2 1 374.485 2.636 20 5 FFBDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501262 1000268175 /nfs/dbraw/zinc/26/81/75/1000268175.db2.gz HTUWXCSYZJYUMM-LPHOPBHVSA-N 2 1 355.442 2.832 20 5 FFBDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501262 1000268179 /nfs/dbraw/zinc/26/81/79/1000268179.db2.gz HTUWXCSYZJYUMM-LPHOPBHVSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501262 1000268183 /nfs/dbraw/zinc/26/81/83/1000268183.db2.gz HTUWXCSYZJYUMM-LPHOPBHVSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501262 1000268186 /nfs/dbraw/zinc/26/81/86/1000268186.db2.gz HTUWXCSYZJYUMM-LPHOPBHVSA-N 2 1 355.442 2.832 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000746628466 1001655773 /nfs/dbraw/zinc/65/57/73/1001655773.db2.gz VHWVDKRGMODDPO-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000746628466 1001655779 /nfs/dbraw/zinc/65/57/79/1001655779.db2.gz VHWVDKRGMODDPO-UHFFFAOYSA-N 2 1 354.414 2.943 20 5 FFBDMP CC(C)[N@@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853496304 1006413465 /nfs/dbraw/zinc/41/34/65/1006413465.db2.gz DKIYBHAMHZSNRB-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853496304 1006413469 /nfs/dbraw/zinc/41/34/69/1006413469.db2.gz DKIYBHAMHZSNRB-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853496304 1006413477 /nfs/dbraw/zinc/41/34/77/1006413477.db2.gz DKIYBHAMHZSNRB-UHFFFAOYSA-N 2 1 372.473 2.863 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH2+]CC2 ZINC000818340178 1007906247 /nfs/dbraw/zinc/90/62/47/1007906247.db2.gz JKRPBFBFBALMFX-CYBMUJFWSA-N 2 1 364.421 2.527 20 5 FFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@@H]4COC[C@@H]43)CC2)cc1 ZINC001182272971 1010468502 /nfs/dbraw/zinc/46/85/02/1010468502.db2.gz YLZKUJYSNPCTJR-CTNGQTDRSA-N 2 1 373.497 2.960 20 5 FFBDMP C[NH+](C)CCCN1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223678 1035503796 /nfs/dbraw/zinc/50/37/96/1035503796.db2.gz SEMMBDRRENPHBN-UHFFFAOYSA-N 2 1 363.509 2.852 20 5 FFBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CCOCC2)CC1 ZINC001254587634 1040818163 /nfs/dbraw/zinc/81/81/63/1040818163.db2.gz RQMLCTNDFGAUGU-ZWOKBUDYSA-N 2 1 359.470 2.813 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246944444 510761962 /nfs/dbraw/zinc/76/19/62/510761962.db2.gz CBMLPFOHMIGJCE-CKEIUWERSA-N 2 1 357.414 2.701 20 5 FFBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457609 510986150 /nfs/dbraw/zinc/98/61/50/510986150.db2.gz JJKOKQILDROOIW-SFHVURJKSA-N 2 1 357.458 2.682 20 5 FFBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457609 510986156 /nfs/dbraw/zinc/98/61/56/510986156.db2.gz JJKOKQILDROOIW-SFHVURJKSA-N 2 1 357.458 2.682 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000274875402 511972794 /nfs/dbraw/zinc/97/27/94/511972794.db2.gz XIUYKPQCHWLSHB-DLBZAZTESA-N 2 1 365.474 2.700 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340627 514101656 /nfs/dbraw/zinc/10/16/56/514101656.db2.gz MXOBJYSKCYLYNQ-HOTGVXAUSA-N 2 1 360.458 2.553 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC[NH2+]CC2 ZINC000424283769 514447243 /nfs/dbraw/zinc/44/72/43/514447243.db2.gz BZQZSBFUZHLKIU-ZDUSSCGKSA-N 2 1 357.414 2.609 20 5 FFBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789548 515967415 /nfs/dbraw/zinc/96/74/15/515967415.db2.gz YUHBGXAFAWJMQL-RDJZCZTQSA-N 2 1 365.474 2.830 20 5 FFBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789548 515967427 /nfs/dbraw/zinc/96/74/27/515967427.db2.gz YUHBGXAFAWJMQL-RDJZCZTQSA-N 2 1 365.474 2.830 20 5 FFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000470170032 516157899 /nfs/dbraw/zinc/15/78/99/516157899.db2.gz NPOPRACWNHKVFO-OBGWFSINSA-N 2 1 358.486 2.712 20 5 FFBDMP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264228 517611789 /nfs/dbraw/zinc/61/17/89/517611789.db2.gz ILTWQBYCSMPYHP-GDBMZVCRSA-N 2 1 356.426 2.751 20 5 FFBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000563900297 518221018 /nfs/dbraw/zinc/22/10/18/518221018.db2.gz DYHVSBHHJUVCTA-OAHLLOKOSA-N 2 1 357.458 2.815 20 5 FFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000579125616 518534991 /nfs/dbraw/zinc/53/49/91/518534991.db2.gz DVNMLSOQEKCZNZ-USXIJHARSA-N 2 1 356.426 2.852 20 5 FFBDMP Cn1ccnc1[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000566753529 519630627 /nfs/dbraw/zinc/63/06/27/519630627.db2.gz FVTIYSUJXZQHIF-SFHVURJKSA-N 2 1 357.458 2.739 20 5 FFBDMP Cn1ccnc1[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000566753528 519630904 /nfs/dbraw/zinc/63/09/04/519630904.db2.gz FVTIYSUJXZQHIF-GOSISDBHSA-N 2 1 357.458 2.739 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433820 520388989 /nfs/dbraw/zinc/38/89/89/520388989.db2.gz YBIYTEATLBCQHN-LSDHHAIUSA-N 2 1 363.458 2.824 20 5 FFBDMP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000595332705 520413293 /nfs/dbraw/zinc/41/32/93/520413293.db2.gz PPFXOUDPRCRXJJ-UHFFFAOYSA-N 2 1 351.422 2.811 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494028 520415370 /nfs/dbraw/zinc/41/53/70/520415370.db2.gz ZMKSBISBKOTHSI-JKSUJKDBSA-N 2 1 360.458 2.553 20 5 FFBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756166 520451017 /nfs/dbraw/zinc/45/10/17/520451017.db2.gz HNBOFNYJBRFXOA-INIZCTEOSA-N 2 1 353.850 2.839 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900407 520804382 /nfs/dbraw/zinc/80/43/82/520804382.db2.gz FMNXDZBHBZAXHZ-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900784 520804526 /nfs/dbraw/zinc/80/45/26/520804526.db2.gz LDZAMUXLZMYIFT-ZBFHGGJFSA-N 2 1 360.458 2.633 20 5 FFBDMP Cc1cc(C)c([N+](=O)[O-])c(NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000611616854 521250810 /nfs/dbraw/zinc/25/08/10/521250810.db2.gz RJXCNFQJPDXNOZ-UHFFFAOYSA-N 2 1 361.490 2.969 20 5 FFBDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309135 981893778 /nfs/dbraw/zinc/89/37/78/981893778.db2.gz HTUWXCSYZJYUMM-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309135 981893787 /nfs/dbraw/zinc/89/37/87/981893787.db2.gz HTUWXCSYZJYUMM-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309135 981893792 /nfs/dbraw/zinc/89/37/92/981893792.db2.gz HTUWXCSYZJYUMM-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309135 981893795 /nfs/dbraw/zinc/89/37/95/981893795.db2.gz HTUWXCSYZJYUMM-VQIMIIECSA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000919718310 990715317 /nfs/dbraw/zinc/71/53/17/990715317.db2.gz BBVAQYGVQBEFAE-UHFFFAOYSA-N 2 1 372.454 2.551 20 5 FFBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000819016290 1008024415 /nfs/dbraw/zinc/02/44/15/1008024415.db2.gz WUNFZMFPRUVYMT-GHTZIAJQSA-N 2 1 369.465 2.782 20 5 FFBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000866260785 1010965095 /nfs/dbraw/zinc/96/50/95/1010965095.db2.gz WZTOISYIFGKKLN-HNNXBMFYSA-N 2 1 366.481 2.528 20 5 FFBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172910294 1012123257 /nfs/dbraw/zinc/12/32/57/1012123257.db2.gz XRCBSUORGMCKCD-KRWDZBQOSA-N 2 1 372.469 2.972 20 5 FFBDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011170 1012181774 /nfs/dbraw/zinc/18/17/74/1012181774.db2.gz SECLMNOHGAPOQF-AWEZNQCLSA-N 2 1 368.428 2.916 20 5 FFBDMP [NH3+]C[C@@]1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[NH+]2CCC1CC2 ZINC001160517898 1027734833 /nfs/dbraw/zinc/73/48/33/1027734833.db2.gz DZWWRYJPGXJHOZ-LJQANCHMSA-N 2 1 371.416 2.631 20 5 FFBDMP C[NH+](C)/C=C/c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155459711 1028744337 /nfs/dbraw/zinc/74/43/37/1028744337.db2.gz WRBSAELETCWAIQ-PPYMECGQSA-N 2 1 370.457 2.545 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253205 1053269859 /nfs/dbraw/zinc/26/98/59/1053269859.db2.gz MAAXDKXLJBISMZ-ARFHVFGLSA-N 2 1 357.458 2.873 20 5 FFBDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109357 1056765459 /nfs/dbraw/zinc/76/54/59/1056765459.db2.gz KTHJIXKBLQEYIB-CYBMUJFWSA-N 2 1 373.379 2.712 20 5 FFBDMP COc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000288712966 257219942 /nfs/dbraw/zinc/21/99/42/257219942.db2.gz ZJVRWGUCSQFYDY-UHFFFAOYSA-N 2 1 374.441 2.619 20 5 FFBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000105476365 508373314 /nfs/dbraw/zinc/37/33/14/508373314.db2.gz HTTMJGSDUXCERL-UHFFFAOYSA-N 2 1 372.469 2.972 20 5 FFBDMP COc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000192924909 509701195 /nfs/dbraw/zinc/70/11/95/509701195.db2.gz WKWKMPVYFMUION-MRXNPFEDSA-N 2 1 371.437 2.921 20 5 FFBDMP COc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000192924898 509701772 /nfs/dbraw/zinc/70/17/72/509701772.db2.gz WKWKMPVYFMUION-INIZCTEOSA-N 2 1 371.437 2.921 20 5 FFBDMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050230 509908757 /nfs/dbraw/zinc/90/87/57/509908757.db2.gz HZOLGIVJGNCPOA-UHFFFAOYSA-N 2 1 369.469 2.959 20 5 FFBDMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000271121906 511089223 /nfs/dbraw/zinc/08/92/23/511089223.db2.gz JQQCFQPGGNMJJK-DOTOQJQBSA-N 2 1 365.474 2.881 20 5 FFBDMP Cn1ccnc1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696537 513661275 /nfs/dbraw/zinc/66/12/75/513661275.db2.gz QFWNTTSQBHTVAH-SFHVURJKSA-N 2 1 369.469 2.515 20 5 FFBDMP Cn1ccnc1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696537 513661281 /nfs/dbraw/zinc/66/12/81/513661281.db2.gz QFWNTTSQBHTVAH-SFHVURJKSA-N 2 1 369.469 2.515 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391076 514125877 /nfs/dbraw/zinc/12/58/77/514125877.db2.gz NXLKOSPLNCTJRR-NVXWUHKLSA-N 2 1 353.850 2.967 20 5 FFBDMP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432865826 514304845 /nfs/dbraw/zinc/30/48/45/514304845.db2.gz MMRAOCFFWOOVMD-OAHLLOKOSA-N 2 1 358.442 2.786 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299776 514449426 /nfs/dbraw/zinc/44/94/26/514449426.db2.gz VSWOODOZFSMWRP-OAHLLOKOSA-N 2 1 360.458 2.696 20 5 FFBDMP CC[N@@H+](CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000540199539 516471052 /nfs/dbraw/zinc/47/10/52/516471052.db2.gz YRNWBNAVONZKPK-UHFFFAOYSA-N 2 1 351.495 2.871 20 5 FFBDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481420 516574990 /nfs/dbraw/zinc/57/49/90/516574990.db2.gz PLVSMSZSICXOCQ-QGZVFWFLSA-N 2 1 360.483 2.735 20 5 FFBDMP C[NH+]1CCN([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283250 517539418 /nfs/dbraw/zinc/53/94/18/517539418.db2.gz RZXJGPMTAJCEII-CQSZACIVSA-N 2 1 366.512 2.796 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578533269 518254725 /nfs/dbraw/zinc/25/47/25/518254725.db2.gz ZIEXNGCDWNZOGV-FRQCXROJSA-N 2 1 374.485 2.544 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578533270 518254840 /nfs/dbraw/zinc/25/48/40/518254840.db2.gz ZIEXNGCDWNZOGV-TXPKVOOTSA-N 2 1 374.485 2.544 20 5 FFBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002899 518542357 /nfs/dbraw/zinc/54/23/57/518542357.db2.gz KPNDBACQNHVPJB-ZIAGYGMSSA-N 2 1 357.410 2.905 20 5 FFBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002899 518542362 /nfs/dbraw/zinc/54/23/62/518542362.db2.gz KPNDBACQNHVPJB-ZIAGYGMSSA-N 2 1 357.410 2.905 20 5 FFBDMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000594736554 520122975 /nfs/dbraw/zinc/12/29/75/520122975.db2.gz RRRXQLUHUIUDBF-HNNXBMFYSA-N 2 1 363.458 2.824 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493035 520415743 /nfs/dbraw/zinc/41/57/43/520415743.db2.gz MUNIEVNUEFMLNL-OWCLPIDISA-N 2 1 360.458 2.633 20 5 FFBDMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595874603 520782641 /nfs/dbraw/zinc/78/26/41/520782641.db2.gz VSDLGDKVRCIMSZ-UHFFFAOYSA-N 2 1 364.446 2.603 20 5 FFBDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595874603 520782647 /nfs/dbraw/zinc/78/26/47/520782647.db2.gz VSDLGDKVRCIMSZ-UHFFFAOYSA-N 2 1 364.446 2.603 20 5 FFBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099336 747268963 /nfs/dbraw/zinc/26/89/63/747268963.db2.gz IFYNBNKSDRSIGC-IRXDYDNUSA-N 2 1 353.850 2.967 20 5 FFBDMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387118 747822299 /nfs/dbraw/zinc/82/22/99/747822299.db2.gz FEFXJYPLBQTVHU-QWHCGFSZSA-N 2 1 366.849 2.508 20 5 FFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665872 1014668279 /nfs/dbraw/zinc/66/82/79/1014668279.db2.gz MLCJIHVSHAORBM-SVUBNXHSSA-N 2 1 369.469 2.853 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337155 991075796 /nfs/dbraw/zinc/07/57/96/991075796.db2.gz XFRKRKIIGGDCJM-QUCCMNQESA-N 2 1 370.453 2.668 20 5 FFBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337155 991075801 /nfs/dbraw/zinc/07/58/01/991075801.db2.gz XFRKRKIIGGDCJM-QUCCMNQESA-N 2 1 370.453 2.668 20 5 FFBDMP C[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000121643605 1011065971 /nfs/dbraw/zinc/06/59/71/1011065971.db2.gz DWCHIVFCZPOTDP-PBHICJAKSA-N 2 1 367.413 2.590 20 5 FFBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014926 1012186333 /nfs/dbraw/zinc/18/63/33/1012186333.db2.gz WOZUKYJIEWLORX-PXAZEXFGSA-N 2 1 368.428 2.772 20 5 FFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014926 1012186340 /nfs/dbraw/zinc/18/63/40/1012186340.db2.gz WOZUKYJIEWLORX-PXAZEXFGSA-N 2 1 368.428 2.772 20 5 FFBDMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098306 1020676804 /nfs/dbraw/zinc/67/68/04/1020676804.db2.gz MXXNFFNYCBVGEA-CABCVRRESA-N 2 1 363.458 2.755 20 5 FFBDMP C[N@@H+]1CCc2c(NCC[C@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063449 1028782213 /nfs/dbraw/zinc/78/22/13/1028782213.db2.gz IJOQQOZCZFHKBX-HNNXBMFYSA-N 2 1 369.469 2.606 20 5 FFBDMP C[N@H+]1CCc2c(NCC[C@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063449 1028782226 /nfs/dbraw/zinc/78/22/26/1028782226.db2.gz IJOQQOZCZFHKBX-HNNXBMFYSA-N 2 1 369.469 2.606 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633202 1039424829 /nfs/dbraw/zinc/42/48/29/1039424829.db2.gz FBRQXYUKSPNGEI-QUCCMNQESA-N 2 1 359.470 2.544 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000903957874 1052565781 /nfs/dbraw/zinc/56/57/81/1052565781.db2.gz TZIFSBSJWQAILQ-OAHLLOKOSA-N 2 1 368.428 2.920 20 5 FFBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253206 1053270614 /nfs/dbraw/zinc/27/06/14/1053270614.db2.gz MAAXDKXLJBISMZ-HRCADAONSA-N 2 1 357.458 2.873 20 5 FFBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473810090 1065373116 /nfs/dbraw/zinc/37/31/16/1065373116.db2.gz UIENKVUBWPQYIP-INIZCTEOSA-N 2 1 356.426 2.969 20 5 FFBDMP CO[C@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474367779 1065504286 /nfs/dbraw/zinc/50/42/86/1065504286.db2.gz OQPGZUQDQRVTME-FQEVSTJZSA-N 2 1 361.486 2.960 20 5 FFBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123646314 508719991 /nfs/dbraw/zinc/71/99/91/508719991.db2.gz SMONLYHKLNABAZ-UHFFFAOYSA-N 2 1 362.474 2.896 20 5 FFBDMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000124138933 508787434 /nfs/dbraw/zinc/78/74/34/508787434.db2.gz KSOZOJNITFFOBX-UHFFFAOYSA-N 2 1 359.430 2.809 20 5 FFBDMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000261709267 510036066 /nfs/dbraw/zinc/03/60/66/510036066.db2.gz MIRZIHVUSVKZTK-SJORKVTESA-N 2 1 371.437 2.786 20 5 FFBDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000261709267 510036072 /nfs/dbraw/zinc/03/60/72/510036072.db2.gz MIRZIHVUSVKZTK-SJORKVTESA-N 2 1 371.437 2.786 20 5 FFBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246944474 510761175 /nfs/dbraw/zinc/76/11/75/510761175.db2.gz CBMLPFOHMIGJCE-JKIFEVAISA-N 2 1 357.414 2.701 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246985654 510782736 /nfs/dbraw/zinc/78/27/36/510782736.db2.gz WCDXYMFMJJEDRK-VKJFTORMSA-N 2 1 372.469 2.871 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344290 514101872 /nfs/dbraw/zinc/10/18/72/514101872.db2.gz SNZJELLNLMEZPY-JYJNAYRXSA-N 2 1 360.458 2.552 20 5 FFBDMP C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481866 514149632 /nfs/dbraw/zinc/14/96/32/514149632.db2.gz QYFDOSCQDUNVHX-ZIAGYGMSSA-N 2 1 360.483 2.878 20 5 FFBDMP [NH3+]CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCC1 ZINC000489907339 515026175 /nfs/dbraw/zinc/02/61/75/515026175.db2.gz KVPKVYCUZRUBEP-UHFFFAOYSA-N 2 1 359.430 2.986 20 5 FFBDMP [NH3+]CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCC1 ZINC000489907339 515026182 /nfs/dbraw/zinc/02/61/82/515026182.db2.gz KVPKVYCUZRUBEP-UHFFFAOYSA-N 2 1 359.430 2.986 20 5 FFBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229734 519382250 /nfs/dbraw/zinc/38/22/50/519382250.db2.gz MLIHAHPWISUXSB-SJORKVTESA-N 2 1 369.469 2.817 20 5 FFBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492828 520415435 /nfs/dbraw/zinc/41/54/35/520415435.db2.gz DJZLNBOLVZQACJ-PMPSAXMXSA-N 2 1 360.458 2.633 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494014 520416134 /nfs/dbraw/zinc/41/61/34/520416134.db2.gz ZHJZLYUSVJSRHO-HOTGVXAUSA-N 2 1 360.458 2.635 20 5 FFBDMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000602511115 521385660 /nfs/dbraw/zinc/38/56/60/521385660.db2.gz SGFZUTJPIUYSSL-UHFFFAOYSA-N 2 1 361.490 2.813 20 5 FFBDMP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000602846033 521568035 /nfs/dbraw/zinc/56/80/35/521568035.db2.gz OSZLSHRKYKZTCX-UHFFFAOYSA-N 2 1 353.382 2.843 20 5 FFBDMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000602846033 521568043 /nfs/dbraw/zinc/56/80/43/521568043.db2.gz OSZLSHRKYKZTCX-UHFFFAOYSA-N 2 1 353.382 2.843 20 5 FFBDMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000878864420 732606048 /nfs/dbraw/zinc/60/60/48/732606048.db2.gz AUJFTMKAKOHYJN-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000878864420 732606050 /nfs/dbraw/zinc/60/60/50/732606050.db2.gz AUJFTMKAKOHYJN-UHFFFAOYSA-N 2 1 366.849 2.604 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394542 738136788 /nfs/dbraw/zinc/13/67/88/738136788.db2.gz XBJASLBKKKGERX-SRABZTEZSA-N 2 1 353.488 2.616 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340938 742265104 /nfs/dbraw/zinc/26/51/04/742265104.db2.gz SSDSKMAZBYPKSC-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099180 747268864 /nfs/dbraw/zinc/26/88/64/747268864.db2.gz GVESTRXOAPKMBQ-DOTOQJQBSA-N 2 1 353.850 2.967 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104779 747270908 /nfs/dbraw/zinc/27/09/08/747270908.db2.gz SHDANMZUPQLKCE-NVXWUHKLSA-N 2 1 353.850 2.967 20 5 FFBDMP CN(CCc1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711779443 964265050 /nfs/dbraw/zinc/26/50/50/964265050.db2.gz NKUAKRMBWSVEAM-OAQYLSRUSA-N 2 1 369.465 2.706 20 5 FFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000711779443 964265063 /nfs/dbraw/zinc/26/50/63/964265063.db2.gz NKUAKRMBWSVEAM-OAQYLSRUSA-N 2 1 369.465 2.706 20 5 FFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000711779443 964265076 /nfs/dbraw/zinc/26/50/76/964265076.db2.gz NKUAKRMBWSVEAM-OAQYLSRUSA-N 2 1 369.465 2.706 20 5 FFBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411372 980270314 /nfs/dbraw/zinc/27/03/14/980270314.db2.gz UXAMTQGVUXTRKZ-NEPJUHHUSA-N 2 1 373.400 2.664 20 5 FFBDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309323 981904337 /nfs/dbraw/zinc/90/43/37/981904337.db2.gz HTUWXCSYZJYUMM-APWZRJJASA-N 2 1 355.442 2.832 20 5 FFBDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309323 981904345 /nfs/dbraw/zinc/90/43/45/981904345.db2.gz HTUWXCSYZJYUMM-APWZRJJASA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309323 981904352 /nfs/dbraw/zinc/90/43/52/981904352.db2.gz HTUWXCSYZJYUMM-APWZRJJASA-N 2 1 355.442 2.832 20 5 FFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309323 981904355 /nfs/dbraw/zinc/90/43/55/981904355.db2.gz HTUWXCSYZJYUMM-APWZRJJASA-N 2 1 355.442 2.832 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980416 1016356033 /nfs/dbraw/zinc/35/60/33/1016356033.db2.gz RGGZSHXWKRKERC-RILLWELWSA-N 2 1 356.470 2.509 20 5 FFBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987860 1000015958 /nfs/dbraw/zinc/01/59/58/1000015958.db2.gz KXMWPFYMDGZPIS-MJGOQNOKSA-N 2 1 361.486 2.737 20 5 FFBDMP [NH3+]CCCCCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000846223883 1000234166 /nfs/dbraw/zinc/23/41/66/1000234166.db2.gz PUEYDRLWHRGLRQ-UHFFFAOYSA-N 2 1 360.462 2.502 20 5 FFBDMP COc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170325934 1003113757 /nfs/dbraw/zinc/11/37/57/1003113757.db2.gz YNZNFSSSJYPEMK-HNNXBMFYSA-N 2 1 370.453 2.879 20 5 FFBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000866261017 1010964919 /nfs/dbraw/zinc/96/49/19/1010964919.db2.gz MTGXSOWIQOEPEF-OAHLLOKOSA-N 2 1 365.449 2.900 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308272 1020415612 /nfs/dbraw/zinc/41/56/12/1020415612.db2.gz SEVKWLDOVJRSBW-RTBURBONSA-N 2 1 360.458 2.505 20 5 FFBDMP C[N@@H+]1CCc2c(NCc3ccc4c(c3)CC[NH2+]C4)ccc([N+](=O)[O-])c2C1 ZINC001162816144 1028668714 /nfs/dbraw/zinc/66/87/14/1028668714.db2.gz VDTHHDFNKGENBV-UHFFFAOYSA-N 2 1 352.438 2.841 20 5 FFBDMP C[N@H+]1CCc2c(NCc3ccc4c(c3)CC[NH2+]C4)ccc([N+](=O)[O-])c2C1 ZINC001162816144 1028668720 /nfs/dbraw/zinc/66/87/20/1028668720.db2.gz VDTHHDFNKGENBV-UHFFFAOYSA-N 2 1 352.438 2.841 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)c1F ZINC001246299963 1039303401 /nfs/dbraw/zinc/30/34/01/1039303401.db2.gz NQOOFENYBWEOFD-ZFWWWQNUSA-N 2 1 361.417 2.833 20 5 FFBDMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246583759 1039406845 /nfs/dbraw/zinc/40/68/45/1039406845.db2.gz RWCITXMNXPMZJL-ZDUSSCGKSA-N 2 1 368.428 2.903 20 5 FFBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001246940612 1039542255 /nfs/dbraw/zinc/54/22/55/1039542255.db2.gz JGMKRZOSZOGYTL-MCIONIFRSA-N 2 1 351.422 2.605 20 5 FFBDMP CC(C)[N@@H+](C)Cc1nn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CC[NH2+]C2 ZINC001254598771 1040829908 /nfs/dbraw/zinc/82/99/08/1040829908.db2.gz XIYMGJHEUDEDQK-KRWDZBQOSA-N 2 1 369.469 2.617 20 5 FFBDMP C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1CC[NH3+] ZINC001579441814 1078629773 /nfs/dbraw/zinc/62/97/73/1078629773.db2.gz WQAMVOMXBNJWMA-GHMZBOCLSA-N 2 1 365.821 2.715 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000047972716 507428263 /nfs/dbraw/zinc/42/82/63/507428263.db2.gz DCHNROBOBDEEKP-UHFFFAOYSA-N 2 1 361.442 2.769 20 5 FFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000072630429 507834058 /nfs/dbraw/zinc/83/40/58/507834058.db2.gz DXKGPXUIMHFQFC-INIZCTEOSA-N 2 1 374.485 2.532 20 5 FFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569863 508191585 /nfs/dbraw/zinc/19/15/85/508191585.db2.gz AXRHQBUURLCIJU-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569863 508191587 /nfs/dbraw/zinc/19/15/87/508191587.db2.gz AXRHQBUURLCIJU-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569863 508191589 /nfs/dbraw/zinc/19/15/89/508191589.db2.gz AXRHQBUURLCIJU-INIZCTEOSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570825 508191705 /nfs/dbraw/zinc/19/17/05/508191705.db2.gz PTCDCWXPRKVSCW-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570825 508191707 /nfs/dbraw/zinc/19/17/07/508191707.db2.gz PTCDCWXPRKVSCW-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570825 508191709 /nfs/dbraw/zinc/19/17/09/508191709.db2.gz PTCDCWXPRKVSCW-MRXNPFEDSA-N 2 1 362.474 2.896 20 5 FFBDMP C[C@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000176251006 509402920 /nfs/dbraw/zinc/40/29/20/509402920.db2.gz KBFZPODSEAHQJZ-FUHWJXTLSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000176251006 509402924 /nfs/dbraw/zinc/40/29/24/509402924.db2.gz KBFZPODSEAHQJZ-FUHWJXTLSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251006 509402933 /nfs/dbraw/zinc/40/29/33/509402933.db2.gz KBFZPODSEAHQJZ-FUHWJXTLSA-N 2 1 357.458 2.776 20 5 FFBDMP C[C@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1Cc1ccccc1 ZINC000176251006 509402939 /nfs/dbraw/zinc/40/29/39/509402939.db2.gz KBFZPODSEAHQJZ-FUHWJXTLSA-N 2 1 357.458 2.776 20 5 FFBDMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174773845 510304227 /nfs/dbraw/zinc/30/42/27/510304227.db2.gz OYJZDIHMMSOEPM-WBMJQRKESA-N 2 1 368.865 2.849 20 5 FFBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246619369 510587687 /nfs/dbraw/zinc/58/76/87/510587687.db2.gz DXPAQWSPXZTRNV-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000246619369 510587693 /nfs/dbraw/zinc/58/76/93/510587693.db2.gz DXPAQWSPXZTRNV-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000246619369 510587700 /nfs/dbraw/zinc/58/77/00/510587700.db2.gz DXPAQWSPXZTRNV-YJBOKZPZSA-N 2 1 360.458 2.648 20 5 FFBDMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(C)C ZINC000282439562 510978668 /nfs/dbraw/zinc/97/86/68/510978668.db2.gz ULVNIXDHFFIBFC-GOSISDBHSA-N 2 1 360.502 2.532 20 5 FFBDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364942116 511166550 /nfs/dbraw/zinc/16/65/50/511166550.db2.gz HYTKGIZQFFXKAB-UHFFFAOYSA-N 2 1 364.465 2.583 20 5 FFBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274839760 511959657 /nfs/dbraw/zinc/95/96/57/511959657.db2.gz LTVBUGPOCDQLMQ-VQIMIIECSA-N 2 1 365.474 2.700 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081969 514034715 /nfs/dbraw/zinc/03/47/15/514034715.db2.gz DQQURTNSCMWNBQ-BZUAXINKSA-N 2 1 373.375 2.860 20 5 FFBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081972 514034849 /nfs/dbraw/zinc/03/48/49/514034849.db2.gz DQQURTNSCMWNBQ-HRCADAONSA-N 2 1 373.375 2.860 20 5 FFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328862 514096553 /nfs/dbraw/zinc/09/65/53/514096553.db2.gz NEDNUSOWSOXSGD-MRXNPFEDSA-N 2 1 363.458 2.569 20 5 FFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328862 514096560 /nfs/dbraw/zinc/09/65/60/514096560.db2.gz NEDNUSOWSOXSGD-MRXNPFEDSA-N 2 1 363.458 2.569 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449160994 514098163 /nfs/dbraw/zinc/09/81/63/514098163.db2.gz DAERGSDXZAVCST-DYESRHJHSA-N 2 1 369.465 2.752 20 5 FFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160994 514098169 /nfs/dbraw/zinc/09/81/69/514098169.db2.gz DAERGSDXZAVCST-DYESRHJHSA-N 2 1 369.465 2.752 20 5 FFBDMP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414881307 514337528 /nfs/dbraw/zinc/33/75/28/514337528.db2.gz SDMJKBAQOQSQIV-AWEZNQCLSA-N 2 1 359.426 2.867 20 5 FFBDMP C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000415072603 514428548 /nfs/dbraw/zinc/42/85/48/514428548.db2.gz XCWXYQURGJBZJN-CQSZACIVSA-N 2 1 365.817 2.792 20 5 FFBDMP C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000415072603 514428557 /nfs/dbraw/zinc/42/85/57/514428557.db2.gz XCWXYQURGJBZJN-CQSZACIVSA-N 2 1 365.817 2.792 20 5 FFBDMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424286662 514446984 /nfs/dbraw/zinc/44/69/84/514446984.db2.gz HQNPXZGEEFMGME-LBPRGKRZSA-N 2 1 366.849 2.651 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299774 514450062 /nfs/dbraw/zinc/45/00/62/514450062.db2.gz VSWOODOZFSMWRP-HNNXBMFYSA-N 2 1 360.458 2.696 20 5 FFBDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000581675624 518402870 /nfs/dbraw/zinc/40/28/70/518402870.db2.gz YXGIMXBYIUDYIN-UHFFFAOYSA-N 2 1 360.458 2.730 20 5 FFBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000579013504 518480328 /nfs/dbraw/zinc/48/03/28/518480328.db2.gz CQUZTDRSKRPVNX-LJQANCHMSA-N 2 1 356.426 2.868 20 5 FFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000579125615 518535491 /nfs/dbraw/zinc/53/54/91/518535491.db2.gz DVNMLSOQEKCZNZ-HYVNUMGLSA-N 2 1 356.426 2.852 20 5 FFBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899815 518775396 /nfs/dbraw/zinc/77/53/96/518775396.db2.gz XZTUVTZILCPDDS-HOCLYGCPSA-N 2 1 360.458 2.552 20 5 FFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000589199409 518949302 /nfs/dbraw/zinc/94/93/02/518949302.db2.gz HYJWSAWPCLDAEO-OAHLLOKOSA-N 2 1 361.442 2.530 20 5 FFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000595012099 520256479 /nfs/dbraw/zinc/25/64/79/520256479.db2.gz NLMVSXAVYVTPAL-OAHLLOKOSA-N 2 1 364.490 2.528 20 5 FFBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000595469667 520490910 /nfs/dbraw/zinc/49/09/10/520490910.db2.gz IUZKHLNZIHBBOC-KRWDZBQOSA-N 2 1 363.458 2.550 20 5 FFBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900574 520805689 /nfs/dbraw/zinc/80/56/89/520805689.db2.gz HFBSKQZGOTXUTA-INIZCTEOSA-N 2 1 360.458 2.553 20 5 FFBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316001 520903716 /nfs/dbraw/zinc/90/37/16/520903716.db2.gz OKTRDCMNEGDRMU-JJRVBVJISA-N 2 1 353.850 2.967 20 5 FFBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596097511 520909315 /nfs/dbraw/zinc/90/93/15/520909315.db2.gz YKBCKTIXDPLJFW-OKZBNKHCSA-N 2 1 361.490 2.987 20 5 FFBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863573610 730791448 /nfs/dbraw/zinc/79/14/48/730791448.db2.gz BQGCTTHXJFADAA-MRXNPFEDSA-N 2 1 353.850 2.839 20 5 FFBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903119 748132535 /nfs/dbraw/zinc/13/25/35/748132535.db2.gz SRMUBSFWYXBIAS-CPUCHLNUSA-N 2 1 353.850 2.967 20 5 FFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665871 1014667771 /nfs/dbraw/zinc/66/77/71/1014667771.db2.gz MLCJIHVSHAORBM-FLODPWGTSA-N 2 1 369.469 2.853 20 5 FFBDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@H]1C(C)C ZINC000922392708 988552113 /nfs/dbraw/zinc/55/21/13/988552113.db2.gz GOGRAJNCOPJJOR-MKXGPGLRSA-N 2 1 365.449 2.693 20 5 FFBDMP CC[NH+](CC)CC1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738072038 999615862 /nfs/dbraw/zinc/61/58/62/999615862.db2.gz YBKFIAGWJQXTAG-UHFFFAOYSA-N 2 1 372.473 2.865 20 5 FFBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000859215700 1008489337 /nfs/dbraw/zinc/48/93/37/1008489337.db2.gz PDADXGNYTPKGOC-IBGZPJMESA-N 2 1 373.453 2.528 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648606 1008793784 /nfs/dbraw/zinc/79/37/84/1008793784.db2.gz YVIWQIGFDABVJL-RBUKOAKNSA-N 2 1 369.469 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648606 1008793794 /nfs/dbraw/zinc/79/37/94/1008793794.db2.gz YVIWQIGFDABVJL-RBUKOAKNSA-N 2 1 369.469 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648606 1008793805 /nfs/dbraw/zinc/79/38/05/1008793805.db2.gz YVIWQIGFDABVJL-RBUKOAKNSA-N 2 1 369.469 2.554 20 5 FFBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648606 1008793815 /nfs/dbraw/zinc/79/38/15/1008793815.db2.gz YVIWQIGFDABVJL-RBUKOAKNSA-N 2 1 369.469 2.554 20 5 FFBDMP CN(C)[C@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869311 1009484323 /nfs/dbraw/zinc/48/43/23/1009484323.db2.gz RGLKPWLFJITEHE-NRFANRHFSA-N 2 1 374.529 2.875 20 5 FFBDMP C[NH+](C)[C@H]1CCCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869311 1009484351 /nfs/dbraw/zinc/48/43/51/1009484351.db2.gz RGLKPWLFJITEHE-NRFANRHFSA-N 2 1 374.529 2.875 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001172904439 1012078217 /nfs/dbraw/zinc/07/82/17/1012078217.db2.gz NOWUMZRAOULIQD-WOJBJXKFSA-N 2 1 373.497 2.933 20 5 FFBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001172904439 1012078236 /nfs/dbraw/zinc/07/82/36/1012078236.db2.gz NOWUMZRAOULIQD-WOJBJXKFSA-N 2 1 373.497 2.933 20 5 FFBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)CO1 ZINC001204428992 1031283093 /nfs/dbraw/zinc/28/30/93/1031283093.db2.gz ACHVDOPFYSLIFO-DLBZAZTESA-N 2 1 361.486 2.959 20 5 FFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879174 1039515867 /nfs/dbraw/zinc/51/58/67/1039515867.db2.gz MMEKKNMLUOQILX-SCWSEQNSSA-N 2 1 351.450 2.999 20 5 FFBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473809326 1065373427 /nfs/dbraw/zinc/37/34/27/1065373427.db2.gz NKLWZUCCRGKRRU-OAHLLOKOSA-N 2 1 369.425 2.529 20 5 FFBDMP Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000267398035 251345831 /nfs/dbraw/zinc/34/58/31/251345831.db2.gz FHHSJYSHPAQTLG-ZIAGYGMSSA-N 2 1 357.414 2.833 20 5 FFBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268800250 251389068 /nfs/dbraw/zinc/38/90/68/251389068.db2.gz HIOFSVLWYJVLET-FQEVSTJZSA-N 2 1 374.529 2.923 20 5 FFBDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000284155737 256916485 /nfs/dbraw/zinc/91/64/85/256916485.db2.gz PNBBHOBSWJXPGE-CYBMUJFWSA-N 2 1 370.457 2.903 20 5 FFBDMP CN1CCC([N@@H+](CCO)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000155498328 509013436 /nfs/dbraw/zinc/01/34/36/509013436.db2.gz VXZYJOGFLBZWEO-UHFFFAOYSA-N 2 1 359.426 2.743 20 5 FFBDMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897548 511764213 /nfs/dbraw/zinc/76/42/13/511764213.db2.gz ZOIJUBQXPRFAMC-IBGZPJMESA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897548 511764220 /nfs/dbraw/zinc/76/42/20/511764220.db2.gz ZOIJUBQXPRFAMC-IBGZPJMESA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897548 511764225 /nfs/dbraw/zinc/76/42/25/511764225.db2.gz ZOIJUBQXPRFAMC-IBGZPJMESA-N 2 1 355.442 2.523 20 5 FFBDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897548 511764230 /nfs/dbraw/zinc/76/42/30/511764230.db2.gz ZOIJUBQXPRFAMC-IBGZPJMESA-N 2 1 355.442 2.523 20 5 FFBDMP Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387045 514121782 /nfs/dbraw/zinc/12/17/82/514121782.db2.gz GGCRIUDADJZYCU-MAUKXSAKSA-N 2 1 360.458 2.696 20 5 FFBDMP Cc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432937107 514328480 /nfs/dbraw/zinc/32/84/80/514328480.db2.gz JEKFEHCYWGNULG-UHFFFAOYSA-N 2 1 358.442 2.998 20 5 FFBDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)CC1 ZINC000420980855 514419342 /nfs/dbraw/zinc/41/93/42/514419342.db2.gz MCEYHYKWJDZCTP-UHFFFAOYSA-N 2 1 360.502 2.895 20 5 FFBDMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424286660 514447424 /nfs/dbraw/zinc/44/74/24/514447424.db2.gz HQNPXZGEEFMGME-GFCCVEGCSA-N 2 1 366.849 2.651 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000470185050 516168490 /nfs/dbraw/zinc/16/84/90/516168490.db2.gz YAZIRTAWPYTXLS-LDQLGUEGSA-N 2 1 372.513 2.956 20 5 FFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000470185050 516168494 /nfs/dbraw/zinc/16/84/94/516168494.db2.gz YAZIRTAWPYTXLS-LDQLGUEGSA-N 2 1 372.513 2.956 20 5 FFBDMP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000589505975 519019236 /nfs/dbraw/zinc/01/92/36/519019236.db2.gz SVUPVLKBWIWCPX-CRAIPNDOSA-N 2 1 373.453 2.830 20 5 FFBDMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690072 519318469 /nfs/dbraw/zinc/31/84/69/519318469.db2.gz MXOXQRMBHCKCEE-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690072 519318471 /nfs/dbraw/zinc/31/84/71/519318471.db2.gz MXOXQRMBHCKCEE-AWEZNQCLSA-N 2 1 355.442 2.723 20 5 FFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594976287 520239115 /nfs/dbraw/zinc/23/91/15/520239115.db2.gz YTJAYEQWZNZNKU-BOYDRYHPSA-N 2 1 367.449 2.964 20 5 FFBDMP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430728 520261715 /nfs/dbraw/zinc/26/17/15/520261715.db2.gz UNWHSWCAZYANGC-WMZOPIPTSA-N 2 1 357.458 2.500 20 5 FFBDMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430728 520261721 /nfs/dbraw/zinc/26/17/21/520261721.db2.gz UNWHSWCAZYANGC-WMZOPIPTSA-N 2 1 357.458 2.500 20 5 FFBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492999 520415306 /nfs/dbraw/zinc/41/53/06/520415306.db2.gz LGPCFSNHDHSLQE-DLBZAZTESA-N 2 1 374.485 2.943 20 5 FFBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492578 520416668 /nfs/dbraw/zinc/41/66/68/520416668.db2.gz AXYQFCXKWFQABD-OAGGEKHMSA-N 2 1 360.458 2.633 20 5 FFBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccnc1[N+](=O)[O-] ZINC000610573503 520745482 /nfs/dbraw/zinc/74/54/82/520745482.db2.gz MDMCTIJPWQDBGR-UHFFFAOYSA-N 2 1 361.490 2.622 20 5 FFBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000595900810 520807520 /nfs/dbraw/zinc/80/75/20/520807520.db2.gz MCZVVODISJJPDO-MRXNPFEDSA-N 2 1 371.441 2.856 20 5 FFBDMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901217 520808715 /nfs/dbraw/zinc/80/87/15/520808715.db2.gz SFMQRPPCHFQPOY-INIZCTEOSA-N 2 1 360.458 2.635 20 5 FFBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901289 520808755 /nfs/dbraw/zinc/80/87/55/520808755.db2.gz UUEAVHDNCMVHTI-GDBMZVCRSA-N 2 1 360.458 2.633 20 5 FFBDMP CC(C)C[N@@H+](C)CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593646928 521127873 /nfs/dbraw/zinc/12/78/73/521127873.db2.gz UFWNLTZNZIQAEB-GOSISDBHSA-N 2 1 359.474 2.985 20 5 FFBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602543305 521404960 /nfs/dbraw/zinc/40/49/60/521404960.db2.gz AFMPHIXABIRUFI-INIZCTEOSA-N 2 1 361.490 2.669 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571452 521416913 /nfs/dbraw/zinc/41/69/13/521416913.db2.gz ZWIWXBKNGSYINL-QFBILLFUSA-N 2 1 355.442 2.749 20 5 FFBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571452 521416921 /nfs/dbraw/zinc/41/69/21/521416921.db2.gz ZWIWXBKNGSYINL-QFBILLFUSA-N 2 1 355.442 2.749 20 5 FFBDMP